*HEADER    PROTEIN BINDING/TRANSFERASE             23-AUG-01   1JU5              
*TITLE     TERNARY COMPLEX OF AN CRK SH2 DOMAIN, CRK-DERIVED                     
*TITLE    2 PHOPHOPEPTIDE, AND ABL SH3 DOMAIN BY NMR SPECTROSCOPY                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CRK;                                                       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: CRK SH2 DOMAIN;                                            
*COMPND   5 SYNONYM: PROTO-ONCOGENE C-CRK, ADAPTER MOLECULE CRK, P38;            
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 MOL_ID: 2;                                                           
*COMPND   8 MOLECULE: CRK;                                                       
*COMPND   9 CHAIN: B;                                                            
*COMPND  10 FRAGMENT: CRK PHOSPHOPEPTIDE;                                        
*COMPND  11 SYNONYM: PROTO-ONCOGENE C-CRK, ADAPTER MOLECULE CRK, P38;            
*COMPND  12 ENGINEERED: YES;                                                     
*COMPND  13 MOL_ID: 3;                                                           
*COMPND  14 MOLECULE: ABL;                                                       
*COMPND  15 CHAIN: C;                                                            
*COMPND  16 FRAGMENT: ABL SH3 DOMAIN;                                            
*COMPND  17 SYNONYM: PROTO-ONCOGENE TYROSINE-PROTEIN KINASE;                     
*COMPND  18 EC: 2.7.1.112;                                                       
*COMPND  19 ENGINEERED: YES;                                                     
*COMPND  20 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PGEX-2T;                                  
*SOURCE   9 MOL_ID: 2;                                                           
*SOURCE  10 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                                   
*SOURCE  11 ORGANISM_COMMON: MOUSE;                                              
*SOURCE  12 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE  13 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE  14 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
*SOURCE  15 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE  16 EXPRESSION_SYSTEM_PLASMID: PAED4-MMHB;                               
*SOURCE  17 MOL_ID: 3;                                                           
*SOURCE  18 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE  19 ORGANISM_COMMON: HUMAN;                                              
*SOURCE  20 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE  21 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE  22 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
*SOURCE  23 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE  24 EXPRESSION_SYSTEM_PLASMID: PET15                                     
*KEYWDS    CRK, SH2, ABL, SH3, ADAPTOR PROTEIN, PHOSPHOPEPTIDE, NMR              
*EXPDTA    NMR                                                                   
*AUTHOR    L.W.DONALDSON, T.PAWSON, L.E.KAY, J.D.FORMAN-KAY                      
*REVDAT   1   06-NOV-02 1JU5    0                                                

assign ( resid 340 and name HD1   )        ( resid 64 and name HG2  )        1.8 0.0 2.2 
assign ( resid 351 and name HB*   )        ( resid 66 and name HG*  )        1.8 0.0 2.2 
assign ( resid 340 and name HD1   )        ( resid 64 and name HG1  )        1.8 0.0 2.2 
assign ( resid 351 and name HB*   )        ( resid 66 and name HB*  )        1.8 0.0 2.2 
assign ( resid 340 and name HH2   )        ( resid 68 and name HG*  )        1.8 0.0 2.2 
assign ( resid 340 and name HH2   )        ( resid 66 and name HG*  )        1.8 0.0 2.2 
assign ( resid 353 and name HG*   )        ( resid 69 and name HG*  )        1.8 0.0 2.2 
assign ( resid 353 and name HG2   )        ( resid 68 and name HG*  )        1.8 0.0 2.2 
assign ( resid 353 and name HG1   )        ( resid 68 and name HG*  )        1.8 0.0 2.2 
assign ( resid 340 and name HE3   )        ( resid 64 and name HG*  )        1.8 0.0 2.2 
assign ( resid 356 and name HE*   )        ( resid 68 and name HG*  )        1.8 0.0 2.2 
assign ( resid 356 and name HE*   )        ( resid 69 and name HA   )        1.8 0.0 2.2 
assign ( resid 356 and name HE*   )        ( resid 69 and name HG1  )        1.8 0.0 2.2 
assign ( resid 356 and name HE*   )        ( resid 70 and name HD*  )        1.8 0.0 2.2 
assign ( resid 356 and name HE*   )        ( resid 69 and name HG2  )        1.8 0.0 2.2 
assign ( resid 356 and name HE*   )        ( resid 69 and name HB*  )        1.8 0.0 2.2 
assign ( resid 356 and name HE*   )        ( resid 70 and name HA   )        1.8 0.0 2.2 
assign ( resid 311 and name HE*   )        ( resid 71 and name HB*  )        1.8 0.0 2.2 
assign ( resid 311 and name HE*   )        ( resid 72 and name HB*  )        1.8 0.0 2.2 
assign ( resid 311 and name HE*   )        ( resid 72 and name HD*  )        1.8 0.0 2.2 
assign ( resid 351 and name HZ2   )        ( resid 64 and name HG*  )        1.8 0.0 2.2 
assign ( resid 340 and name HZ2   )        ( resid 67 and name HD*  )        1.8 0.0 2.2 
assign ( resid 340 and name HZ2   )        ( resid 69 and name HD*  )        1.8 0.0 2.2 
assign ( resid 340 and name HZ2   )        ( resid 68 and name HG*  )        1.8 0.0 2.2 
assign ( resid 340 and name HZ2   )        ( resid 66 and name HA   )        1.8 0.0 2.2 
assign ( resid 340 and name HZ2   )        ( resid 66 and name HG*  )        1.8 0.0 2.2 
assign ( resid 340 and name HZ2   )        ( resid 64 and name HB*  )        1.8 0.0 2.2 
assign ( resid 340 and name HZ2   )        ( resid 68 and name HA   )        1.8 0.0 2.2 
assign ( resid 319 and name HB*   )        ( resid 64 and name HB*  )        1.8 0.0 2.2 
assign ( resid 319 and name HB*   )        ( resid 64 and name HG*  )        1.8 0.0 2.2 
assign ( resid 353 and name HA    )        ( resid 68 and name HB   )        1.8 0.0 2.2 
assign ( resid 353 and name HA    )        ( resid 69 and name HD*  )        1.8 0.0 2.2 
assign ( resid 313 and name HZ    )        ( resid 69 and name HG*  )        1.8 0.0 2.2 
assign ( resid 313 and name HD*   )        ( resid 69 and name HG*  )        1.8 0.0 2.2 
assign ( resid 356 and name HD*   )        ( resid 68 and name HG*  )        1.8 0.0 2.2 
assign ( resid 356 and name HD*   )        ( resid 69 and name HG*  )        1.8 0.0 2.2 
assign ( resid 313 and name HE*   )        ( resid 68 and name HG*  )        1.8 0.0 2.2 

 ASSI {  727}
   (( segid "SH3 " and resid 343  and name HN  ))
   (( segid "SH3 " and resid 342  and name HG2 ))
      3.700     1.900     1.900 peak   727 weight  0.10000E+01 volume  0.10693E-02 ppm1      8.990 ppm2     -0.480 CV     1
 ASSI {  981}
   (( segid "SH3 " and resid 343  and name HN  ))
   (( segid "SH3 " and resid 342  and name HA  ))
      2.000     1.000     1.000 peak   981 weight  0.10000E+01 volume  0.93191E-02 ppm1      8.990 ppm2      3.430 CV     1
 ASSI {  497}
   (( segid "SH3 " and resid 343  and name HN  ))
   (  segid "SH3 " and resid 343  and name HB% )
      2.200     1.100     1.100 peak   497 weight  0.10000E+01 volume  0.64350E-02 ppm1      8.990 ppm2      1.080 CV     1
 ASSI {  507}
   (( segid "SH3 " and resid 343  and name HN  ))
   (( segid "SH3 " and resid 350  and name HN  ))
      2.700     1.400     1.400 peak   507 weight  0.10000E+01 volume  0.25604E-02 ppm1      8.990 ppm2      8.710 CV     1
 ASSI {  498}
   (( segid "SH3 " and resid 343  and name HN  ))
   (( segid "SH3 " and resid 342  and name HB1 ))
      3.600     1.600     1.600 peak   498 weight  0.10000E+01 volume  0.19129E-02 ppm1      8.990 ppm2      1.290 CV     1
 ASSI {  501}
   (( segid "SH3 " and resid 343  and name HN  ))
   (( segid "SH3 " and resid 343  and name HA  ))
      2.600     1.400     1.400 peak   501 weight  0.10000E+01 volume  0.26585E-02 ppm1      8.990 ppm2      5.200 CV     1
 ASSI {  504}
   (( segid "SH3 " and resid 343  and name HN  ))
   (( segid "SH3 " and resid 349  and name HB2 ))
      4.200     2.300     1.800 peak   504 weight  0.10000E+01 volume  0.57682E-03 ppm1      8.980 ppm2      2.120 CV     1
 OR {  504}
   (( segid "SH3 " and resid 343  and name HN  ))
   (( segid "SH3 " and resid 349  and name HB1 ))
 ASSI {  502}
   (( segid "SH3 " and resid 343  and name HN  ))
   (( segid "SH3 " and resid 351  and name HA  ))
      3.300     1.600     1.600 peak   502 weight  0.10000E+01 volume  0.17854E-02 ppm1      8.990 ppm2      5.440 CV     1
 ASSI {  495}
   (( segid "SH3 " and resid 343  and name HN  ))
   (  segid "SH3 " and resid 352  and name HG2%)
      3.000     1.700     1.700 peak   495 weight  0.10000E+01 volume  0.14323E-02 ppm1      8.990 ppm2      0.570 CV     1
 ASSI {  503}
   (( segid "SH3 " and resid 343  and name HN  ))
   (( segid "SH3 " and resid 349  and name HA  ))
      4.100     2.300     1.900 peak   503 weight  0.10000E+01 volume  0.58956E-03 ppm1      9.000 ppm2      5.590 CV     1
 ASSI {  914}
   (( segid "SH3 " and resid 340  and name HE1 ))
   (( segid "SH3 " and resid 340  and name HD1 ))
      2.300     1.100     1.100 peak   914 weight  0.10000E+01 volume  0.67883E-02 ppm1     10.130 ppm2      7.100 CV     1
 ASSI {  728}
   (( segid "SH3 " and resid 343  and name HN  ))
   (( segid "SH3 " and resid 352  and name HN  ))
      3.600     2.200     2.200 peak   728 weight  0.10000E+01 volume  0.61996E-03 ppm1      9.000 ppm2     -0.290 CV     1
 ASSI {  424}
   (( segid "SH3 " and resid 340  and name HE1 ))
   (( segid "SH3 " and resid 340  and name HB1 ))
      4.600     2.500     1.400 peak   424 weight  0.10000E+01 volume  0.41398E-03 ppm1     10.110 ppm2      3.430 CV     1
 ASSI {  420}
   (( segid "SH3 " and resid 351  and name HE1 ))
   (( segid "SH3 " and resid 351  and name HN  ))
      4.500     2.300     1.500 peak   420 weight  0.10000E+01 volume  0.54150E-03 ppm1     10.100 ppm2      8.830 CV     1
 ASSI {  433}
   (( segid "SH3 " and resid 351  and name HE1 ))
   (( segid "SH3 " and resid 319  and name HD22))
      3.500     2.100     2.100 peak   433 weight  0.10000E+01 volume  0.80930E-03 ppm1     10.100 ppm2      6.870 CV     1
 ASSI {  421}
   (( segid "SH3 " and resid 351  and name HE1 ))
   (( segid "SH3 " and resid 351  and name HD1 ))
      2.200     0.900     0.900 peak   421 weight  0.10000E+01 volume  0.10300E-01 ppm1     10.100 ppm2      7.450 CV     1
 ASSI {  428}
   (( segid "SH3 " and resid 351  and name HE1 ))
   (( segid "SH3 " and resid 342  and name HB2 ))
      3.600     2.200     2.200 peak   428 weight  0.10000E+01 volume  0.62879E-03 ppm1     10.100 ppm2      0.710 CV     1
 ASSI {  425}
   (( segid "SH3 " and resid 351  and name HE1 ))
   (( segid "SH3 " and resid 319  and name HB1 ))
      3.800     2.000     2.000 peak   425 weight  0.10000E+01 volume  0.92212E-03 ppm1     10.090 ppm2      3.240 CV     1
 ASSI {  422}
   (( segid "SH3 " and resid 351  and name HE1 ))
   (( segid "SH3 " and resid 351  and name HZ2 ))
      2.600     1.200     1.200 peak   422 weight  0.10000E+01 volume  0.51992E-02 ppm1     10.090 ppm2      7.360 CV     1
 ASSI {  431}
   (( segid "SH3 " and resid 351  and name HE1 ))
   (( segid "SH3 " and resid 342  and name HG2 ))
      3.900     2.100     2.100 peak   431 weight  0.10000E+01 volume  0.77794E-03 ppm1     10.090 ppm2     -0.400 CV     1
 ASSI {  426}
   (( segid "SH3 " and resid 351  and name HE1 ))
   (( segid "SH3 " and resid 319  and name HB2 ))
      4.600     2.200     1.400 peak   426 weight  0.10000E+01 volume  0.65630E-03 ppm1     10.090 ppm2      2.990 CV     1
 ASSI {  787}
   (( segid "SH3 " and resid 315  and name HN  ))
   (( segid "SH3 " and resid 323  and name HN  ))
      5.000     2.300     1.000 peak   787 weight  0.10000E+01 volume  0.52483E-03 ppm1      8.300 ppm2      9.000 CV     1
 ASSI {  164}
   (( segid "SH3 " and resid 315  and name HN  ))
   (  segid "SH3 " and resid 315  and name HB% )
      2.200     1.000     1.000 peak   164 weight  0.10000E+01 volume  0.81225E-02 ppm1      8.300 ppm2      1.290 CV     1
 ASSI {  161}
   (( segid "SH3 " and resid 315  and name HN  ))
   (( segid "SH3 " and resid 314  and name HA  ))
      1.900     0.900     0.900 peak   161 weight  0.10000E+01 volume  0.12164E-01 ppm1      8.300 ppm2      4.030 CV     1
 ASSI {  165}
   (( segid "SH3 " and resid 315  and name HN  ))
   (  segid "SH3 " and resid 314  and name HG1%)
      3.600     1.200     1.200 peak   165 weight  0.10000E+01 volume  0.43752E-02 ppm1      8.300 ppm2      0.820 CV     1
 ASSI {  895}
   (( segid "SH3 " and resid 315  and name HN  ))
   (( segid "SH3 " and resid 322  and name HA  ))
      2.500     1.500     1.500 peak   895 weight  0.10000E+01 volume  0.23936E-02 ppm1      8.300 ppm2      5.050 CV     1
 ASSI {  162}
   (( segid "SH3 " and resid 315  and name HN  ))
   (( segid "SH3 " and resid 315  and name HA  ))
      2.600     1.400     1.400 peak   162 weight  0.10000E+01 volume  0.25800E-02 ppm1      8.300 ppm2      3.790 CV     1
 ASSI {  163}
   (( segid "SH3 " and resid 315  and name HN  ))
   (( segid "SH3 " and resid 314  and name HB  ))
      4.000     2.000     2.000 peak   163 weight  0.10000E+01 volume  0.85736E-03 ppm1      8.300 ppm2      1.730 CV     1
 ASSI {  149}
   (( segid "SH3 " and resid 314  and name HN  ))
   (( segid "SH3 " and resid 314  and name HA  ))
      2.800     1.500     1.500 peak   149 weight  0.10000E+01 volume  0.22563E-02 ppm1      7.910 ppm2      4.040 CV     1
 ASSI {  151}
   (( segid "SH3 " and resid 314  and name HN  ))
   (( segid "SH3 " and resid 314  and name HB  ))
      2.500     1.200     1.200 peak   151 weight  0.10000E+01 volume  0.50226E-02 ppm1      7.910 ppm2      1.730 CV     1
 ASSI {  145}
   (( segid "SH3 " and resid 314  and name HN  ))
   (( segid "SH3 " and resid 315  and name HN  ))
      4.100     2.000     1.900 peak   145 weight  0.10000E+01 volume  0.82991E-03 ppm1      7.910 ppm2      8.290 CV     1
 ASSI {  152}
   (( segid "SH3 " and resid 314  and name HN  ))
   (  segid "SH3 " and resid 314  and name HG2%)
      3.300     1.100     1.100 peak   152 weight  0.10000E+01 volume  0.54935E-02 ppm1      7.910 ppm2      0.850 CV     1
 ASSI {  147}
   (( segid "SH3 " and resid 314  and name HN  ))
   (( segid "SH3 " and resid 313  and name HA  ))
      2.100     1.000     1.000 peak   147 weight  0.10000E+01 volume  0.99078E-02 ppm1      7.910 ppm2      4.970 CV     1
 ASSI {  150}
   (( segid "SH3 " and resid 314  and name HN  ))
   (( segid "SH3 " and resid 313  and name HB2 ))
      3.900     2.000     2.000 peak   150 weight  0.10000E+01 volume  0.93780E-03 ppm1      7.920 ppm2      3.180 CV     1
 ASSI {  146}
   (( segid "SH3 " and resid 314  and name HN  ))
   (  segid "SH3 " and resid 313  and name HD% )
      3.300     1.900     1.900 peak   146 weight  0.10000E+01 volume  0.10693E-02 ppm1      7.910 ppm2      7.370 CV     1
 ASSI {  485}
   (( segid "SH3 " and resid 342  and name HN  ))
   (( segid "SH3 " and resid 341  and name HB2 ))
      3.800     1.600     1.600 peak   485 weight  0.10000E+01 volume  0.18050E-02 ppm1      8.130 ppm2      2.200 CV     1
 ASSI {  738}
   (( segid "SH3 " and resid 342  and name HN  ))
   (( segid "SH3 " and resid 343  and name HN  ))
      4.200     2.100     1.800 peak   738 weight  0.10000E+01 volume  0.69847E-03 ppm1      8.120 ppm2      8.980 CV     1
 ASSI {  479}
   (( segid "SH3 " and resid 342  and name HN  ))
   (( segid "SH3 " and resid 334  and name HA  ))
      3.100     1.600     1.600 peak   479 weight  0.10000E+01 volume  0.18933E-02 ppm1      8.120 ppm2      5.470 CV     1
 ASSI {  478}
   (( segid "SH3 " and resid 342  and name HN  ))
   (( segid "SH3 " and resid 351  and name HZ3 ))
      3.200     1.900     1.900 peak   478 weight  0.10000E+01 volume  0.10594E-02 ppm1      8.120 ppm2      6.850 CV     1
 ASSI {  481}
   (( segid "SH3 " and resid 342  and name HN  ))
   (( segid "SH3 " and resid 333  and name HA1 ))
      4.200     2.500     1.800 peak   481 weight  0.10000E+01 volume  0.43359E-03 ppm1      8.130 ppm2      4.270 CV     1
 ASSI {  490}
   (( segid "SH3 " and resid 342  and name HN  ))
   (( segid "SH3 " and resid 342  and name HG2 ))
      3.600     1.400     1.400 peak   490 weight  0.10000E+01 volume  0.29822E-02 ppm1      8.130 ppm2     -0.470 CV     1
 ASSI {  480}
   (( segid "SH3 " and resid 342  and name HN  ))
   (( segid "SH3 " and resid 341  and name HA  ))
      2.200     1.000     1.000 peak   480 weight  0.10000E+01 volume  0.73673E-02 ppm1      8.120 ppm2      5.120 CV     1
 ASSI {  820}
   (( segid "SH3 " and resid 342  and name HN  ))
   (( segid "SH3 " and resid 351  and name HE3 ))
      3.800     2.300     2.200 peak   820 weight  0.10000E+01 volume  0.52777E-03 ppm1      8.120 ppm2      7.380 CV     1
 ASSI {  487}
   (( segid "SH3 " and resid 342  and name HN  ))
   (( segid "SH3 " and resid 342  and name HG1 ))
      3.500     1.300     1.300 peak   487 weight  0.10000E+01 volume  0.32961E-02 ppm1      8.130 ppm2      1.090 CV     1
 ASSI {  483}
   (( segid "SH3 " and resid 342  and name HN  ))
   (( segid "SH3 " and resid 342  and name HA  ))
      2.800     1.600     1.600 peak   483 weight  0.10000E+01 volume  0.18148E-02 ppm1      8.130 ppm2      3.430 CV     1
 ASSI {  488}
   (( segid "SH3 " and resid 342  and name HN  ))
   (( segid "SH3 " and resid 342  and name HB2 ))
      3.500     2.300     2.300 peak   488 weight  0.10000E+01 volume  0.55426E-03 ppm1      8.120 ppm2      0.710 CV     1
 ASSI {  486}
   (( segid "SH3 " and resid 342  and name HN  ))
   (( segid "SH3 " and resid 342  and name HB1 ))
      3.300     2.200     2.200 peak   486 weight  0.10000E+01 volume  0.66315E-03 ppm1      8.120 ppm2      1.270 CV     1
 ASSI {  489}
   (( segid "SH3 " and resid 342  and name HN  ))
   (  segid "SH3 " and resid 331  and name HG1%)
      3.300     1.900     1.900 peak   489 weight  0.10000E+01 volume  0.10594E-02 ppm1      8.120 ppm2      0.280 CV     1
 ASSI {  477}
   (( segid "SH3 " and resid 342  and name HN  ))
   (( segid "SH3 " and resid 333  and name HN  ))
      3.000     1.600     1.600 peak   477 weight  0.10000E+01 volume  0.19031E-02 ppm1      8.120 ppm2      6.990 CV     1
 ASSI {  491}
   (( segid "SH3 " and resid 342  and name HN  ))
   (( segid "SH3 " and resid 332  and name HN  ))
      4.300     2.300     1.700 peak   491 weight  0.10000E+01 volume  0.52188E-03 ppm1      8.130 ppm2     -0.770 CV     1
 ASSI {  335}
   (( segid "SH3 " and resid 332  and name HN  ))
   (( segid "SH3 " and resid 342  and name HB1 ))
      2.700     1.300     1.300 peak   335 weight  0.10000E+01 volume  0.33746E-02 ppm1      9.240 ppm2      1.330 CV     1
 ASSI {  331}
   (( segid "SH3 " and resid 332  and name HN  ))
   (( segid "SH3 " and resid 343  and name HA  ))
      3.300     1.500     1.500 peak   331 weight  0.10000E+01 volume  0.23642E-02 ppm1      9.240 ppm2      5.200 CV     1
 ASSI {  338}
   (( segid "SH3 " and resid 332  and name HN  ))
   (  segid "SH3 " and resid 332  and name HD1%)
      2.900     1.700     1.700 peak   338 weight  0.10000E+01 volume  0.14715E-02 ppm1      9.240 ppm2      0.560 CV     1
 ASSI {  332}
   (( segid "SH3 " and resid 332  and name HN  ))
   (( segid "SH3 " and resid 332  and name HA  ))
      2.900     1.600     1.600 peak   332 weight  0.10000E+01 volume  0.19521E-02 ppm1      9.240 ppm2      4.250 CV     1
 ASSI {  330}
   (( segid "SH3 " and resid 332  and name HN  ))
   (( segid "SH3 " and resid 333  and name HN  ))
      2.300     1.200     1.200 peak   330 weight  0.10000E+01 volume  0.44340E-02 ppm1      9.240 ppm2      6.990 CV     1
 ASSI {  339}
   (( segid "SH3 " and resid 332  and name HN  ))
   (  segid "SH3 " and resid 331  and name HG1%)
      3.100     1.400     1.400 peak   339 weight  0.10000E+01 volume  0.25407E-02 ppm1      9.240 ppm2      0.280 CV     1
 ASSI {  333}
   (( segid "SH3 " and resid 332  and name HN  ))
   (( segid "SH3 " and resid 331  and name HA  ))
      1.900     1.000     1.000 peak   333 weight  0.10000E+01 volume  0.85640E-02 ppm1      9.240 ppm2      3.950 CV     1
 ASSI {  336}
   (( segid "SH3 " and resid 332  and name HN  ))
   (( segid "SH3 " and resid 332  and name HB2 ))
      3.200     1.400     1.400 peak   336 weight  0.10000E+01 volume  0.28645E-02 ppm1      9.240 ppm2      1.210 CV     1
 ASSI {  326}
   (( segid "SH3 " and resid 332  and name HN  ))
   (( segid "SH3 " and resid 331  and name HN  ))
      4.300     2.500     1.700 peak   326 weight  0.10000E+01 volume  0.43556E-03 ppm1      9.230 ppm2      8.590 CV     1
 ASSI {   76}
   (( segid "SH3 " and resid 310  and name HN  ))
   (( segid "SH3 " and resid 358  and name HN  ))
      4.600     2.400     1.400 peak    76 weight  0.10000E+01 volume  0.49540E-03 ppm1      9.490 ppm2      8.730 CV     1
 ASSI {   83}
   (( segid "SH3 " and resid 310  and name HN  ))
   (( segid "SH3 " and resid 310  and name HA  ))
      2.800     1.400     1.400 peak    83 weight  0.10000E+01 volume  0.25015E-02 ppm1      9.500 ppm2      3.900 CV     1
 ASSI {   88}
   (( segid "SH3 " and resid 310  and name HN  ))
   (  segid "SH3 " and resid 310  and name HD2%)
      2.800     1.300     1.300 peak    88 weight  0.10000E+01 volume  0.40122E-02 ppm1      9.500 ppm2      0.650 CV     1
 ASSI {   86}
   (( segid "SH3 " and resid 310  and name HN  ))
   (( segid "SH3 " and resid 310  and name HG  ))
      3.200     1.300     1.300 peak    86 weight  0.10000E+01 volume  0.32176E-02 ppm1      9.500 ppm2      1.100 CV     1
 ASSI {   81}
   (( segid "SH3 " and resid 310  and name HN  ))
   (( segid "SH3 " and resid 309  and name HA  ))
      2.000     1.000     1.000 peak    81 weight  0.10000E+01 volume  0.86721E-02 ppm1      9.500 ppm2      4.680 CV     1
 ASSI {   82}
   (( segid "SH3 " and resid 310  and name HN  ))
   (( segid "SH3 " and resid 356  and name HA  ))
      3.200     1.700     1.700 peak    82 weight  0.10000E+01 volume  0.15892E-02 ppm1      9.500 ppm2      4.770 CV     1
 ASSI {   85}
   (( segid "SH3 " and resid 310  and name HN  ))
   (  segid "SH3 " and resid 309  and name HB% )
      3.100     1.500     1.500 peak    85 weight  0.10000E+01 volume  0.23740E-02 ppm1      9.500 ppm2      1.550 CV     1
 ASSI {   87}
   (( segid "SH3 " and resid 310  and name HN  ))
   (( segid "SH3 " and resid 310  and name HB1 ))
      3.400     1.400     1.400 peak    87 weight  0.10000E+01 volume  0.31588E-02 ppm1      9.500 ppm2      0.960 CV     1
 ASSI {   79}
   (( segid "SH3 " and resid 310  and name HN  ))
   (  segid "SH3 " and resid 311  and name HD% )
      4.200     2.200     1.800 peak    79 weight  0.10000E+01 volume  0.64158E-03 ppm1      9.490 ppm2      6.600 CV     1
 ASSI {   89}
   (( segid "SH3 " and resid 310  and name HN  ))
   (( segid "SH3 " and resid 310  and name HB2 ))
      2.600     1.600     1.600 peak    89 weight  0.10000E+01 volume  0.17559E-02 ppm1      9.500 ppm2      0.480 CV     1
 ASSI {  919}
   (( segid "SH3 " and resid 310  and name HN  ))
   (( segid "SH3 " and resid 357  and name HA  ))
      2.700     1.300     1.300 peak   919 weight  0.10000E+01 volume  0.34727E-02 ppm1      9.500 ppm2      5.430 CV     1
 ASSI {   84}
   (( segid "SH3 " and resid 310  and name HN  ))
   (( segid "SH3 " and resid 357  and name HB  ))
      4.800     2.300     1.200 peak    84 weight  0.10000E+01 volume  0.59941E-03 ppm1      9.500 ppm2      1.710 CV     1
 ASSI {  778}
   (( segid "SH3 " and resid 310  and name HN  ))
   (( segid "SH3 " and resid 309  and name HN  ))
      4.300     2.300     1.700 peak   778 weight  0.10000E+01 volume  0.54739E-03 ppm1      9.500 ppm2      8.370 CV     1
 ASSI {   72}
   (( segid "SH3 " and resid 309  and name HN  ))
   (  segid "SH3 " and resid 308  and name HG2%)
      2.300     1.100     1.100 peak    72 weight  0.10000E+01 volume  0.57778E-02 ppm1      8.370 ppm2      0.810 CV     1
 ASSI {  920}
   (( segid "SH3 " and resid 309  and name HN  ))
   (( segid "SH3 " and resid 309  and name HA  ))
      2.600     1.400     1.400 peak   920 weight  0.10000E+01 volume  0.25702E-02 ppm1      8.370 ppm2      4.680 CV     1
 ASSI {  891}
   (( segid "SH3 " and resid 309  and name HN  ))
   (( segid "SH3 " and resid 308  and name HA  ))
      1.900     0.900     0.900 peak   891 weight  0.10000E+01 volume  0.13440E-01 ppm1      8.370 ppm2      5.240 CV     1
 ASSI {   71}
   (( segid "SH3 " and resid 309  and name HN  ))
   (  segid "SH3 " and resid 309  and name HB% )
      2.200     1.000     1.000 peak    71 weight  0.10000E+01 volume  0.86427E-02 ppm1      8.370 ppm2      1.550 CV     1
 ASSI {   70}
   (( segid "SH3 " and resid 309  and name HN  ))
   (( segid "SH3 " and resid 308  and name HB  ))
      3.700     1.500     1.500 peak    70 weight  0.10000E+01 volume  0.23249E-02 ppm1      8.370 ppm2      1.690 CV     1
 ASSI {   75}
   (( segid "SH3 " and resid 309  and name HN  ))
   (( segid "SH3 " and resid 329  and name HN  ))
      4.400     2.100     1.600 peak    75 weight  0.10000E+01 volume  0.72004E-03 ppm1      8.370 ppm2     -0.840 CV     1
 ASSI {   26}
   (( segid "SH3 " and resid 307  and name HN  ))
   (( segid "SH3 " and resid 305  and name HN  ))
      5.300     2.700     0.700 peak    26 weight  0.10000E+01 volume  0.34335E-03 ppm1      9.320 ppm2      8.490 CV     1
 ASSI {   25}
   (( segid "SH3 " and resid 307  and name HN  ))
   (( segid "SH3 " and resid 331  and name HN  ))
      3.900     2.600     2.100 peak    25 weight  0.10000E+01 volume  0.35708E-03 ppm1      9.330 ppm2      8.580 CV     1
 ASSI {   35}
   (( segid "SH3 " and resid 307  and name HN  ))
   (  segid "SH3 " and resid 306  and name HD2%)
      4.500     1.800     1.500 peak    35 weight  0.10000E+01 volume  0.12753E-02 ppm1      9.320 ppm2      0.870 CV     1
 ASSI {   36}
   (( segid "SH3 " and resid 307  and name HN  ))
   (  segid "SH3 " and resid 331  and name HG2%)
      4.500     2.400     1.500 peak    36 weight  0.10000E+01 volume  0.45616E-03 ppm1      9.320 ppm2     -0.110 CV     1
 ASSI {   27}
   (( segid "SH3 " and resid 307  and name HN  ))
   (  segid "SH3 " and resid 307  and name HD% )
      2.900     1.600     1.600 peak    27 weight  0.10000E+01 volume  0.16677E-02 ppm1      9.320 ppm2      6.920 CV     1
 ASSI {   29}
   (( segid "SH3 " and resid 307  and name HN  ))
   (( segid "SH3 " and resid 306  and name HA  ))
      2.000     1.000     1.000 peak    29 weight  0.10000E+01 volume  0.83874E-02 ppm1      9.320 ppm2      4.980 CV     1
 ASSI {   30}
   (( segid "SH3 " and resid 307  and name HN  ))
   (( segid "SH3 " and resid 307  and name HB2 ))
      2.600     1.400     1.400 peak    30 weight  0.10000E+01 volume  0.27958E-02 ppm1      9.320 ppm2      2.720 CV     1
 OR {   30}
   (( segid "SH3 " and resid 307  and name HN  ))
   (( segid "SH3 " and resid 307  and name HB1 ))
 ASSI {   32}
   (( segid "SH3 " and resid 307  and name HN  ))
   (( segid "SH3 " and resid 306  and name HB1 ))
      3.800     1.700     1.700 peak    32 weight  0.10000E+01 volume  0.16186E-02 ppm1      9.320 ppm2      1.700 CV     1
 OR {   32}
   (( segid "SH3 " and resid 307  and name HN  ))
   (( segid "SH3 " and resid 306  and name HB2 ))
 ASSI {   28}
   (( segid "SH3 " and resid 307  and name HN  ))
   (( segid "SH3 " and resid 307  and name HA  ))
      2.700     1.500     1.500 peak    28 weight  0.10000E+01 volume  0.21974E-02 ppm1      9.320 ppm2      5.210 CV     1
 ASSI {   24}
   (( segid "SH3 " and resid 307  and name HN  ))
   (( segid "SH3 " and resid 306  and name HN  ))
      4.300     2.400     1.700 peak    24 weight  0.10000E+01 volume  0.51992E-03 ppm1      9.330 ppm2      7.650 CV     1
 ASSI {   40}
   (( segid "SH3 " and resid 307  and name HN  ))
   (  segid "SH3 " and resid 329  and name HD1%)
      4.200     2.100     1.800 peak    40 weight  0.10000E+01 volume  0.72887E-03 ppm1      9.320 ppm2      0.620 CV     1
 ASSI {  199}
   (( segid "SH3 " and resid 321  and name HN  ))
   (( segid "SH3 " and resid 351  and name HB2 ))
      4.800     2.400     1.200 peak   199 weight  0.10000E+01 volume  0.47381E-03 ppm1      8.230 ppm2      2.880 CV     1
 ASSI {  194}
   (( segid "SH3 " and resid 321  and name HN  ))
   (( segid "SH3 " and resid 351  and name HN  ))
      3.300     1.800     1.800 peak   194 weight  0.10000E+01 volume  0.12556E-02 ppm1      8.230 ppm2      8.820 CV     1
 ASSI {  195}
   (( segid "SH3 " and resid 321  and name HN  ))
   (  segid "SH3 " and resid 313  and name HD% )
      3.500     2.000     2.000 peak   195 weight  0.10000E+01 volume  0.88385E-03 ppm1      8.220 ppm2      7.390 CV     1
 ASSI {  198}
   (( segid "SH3 " and resid 321  and name HN  ))
   (( segid "SH3 " and resid 350  and name HA2 ))
      4.700     2.200     1.300 peak   198 weight  0.10000E+01 volume  0.60235E-03 ppm1      8.230 ppm2      4.020 CV     1
 ASSI {  922}
   (( segid "SH3 " and resid 321  and name HN  ))
   (  segid "SH3 " and resid 352  and name HG1%)
      3.000     1.700     1.700 peak   922 weight  0.10000E+01 volume  0.16285E-02 ppm1      8.220 ppm2      0.970 CV     1
 ASSI {  200}
   (( segid "SH3 " and resid 321  and name HN  ))
   (( segid "SH3 " and resid 321  and name HB1 ))
      2.300     1.300     1.300 peak   200 weight  0.10000E+01 volume  0.37081E-02 ppm1      8.230 ppm2      1.560 CV     1
 ASSI {  201}
   (( segid "SH3 " and resid 321  and name HN  ))
   (  segid "SH3 " and resid 315  and name HB% )
      2.900     1.500     1.500 peak   201 weight  0.10000E+01 volume  0.24917E-02 ppm1      8.230 ppm2      1.280 CV     1
 ASSI {  197}
   (( segid "SH3 " and resid 321  and name HN  ))
   (( segid "SH3 " and resid 320  and name HA  ))
      2.200     1.100     1.100 peak   197 weight  0.10000E+01 volume  0.63569E-02 ppm1      8.230 ppm2      5.150 CV     1
 ASSI {   38}
   (( segid "SH3 " and resid 307  and name HN  ))
   (( segid "SH3 " and resid 329  and name HN  ))
      2.800     1.600     1.600 peak    38 weight  0.10000E+01 volume  0.17266E-02 ppm1      9.320 ppm2     -0.850 CV     1
 ASSI {  189}
   (( segid "SH3 " and resid 321  and name HN  ))
   (  segid "SH3 " and resid 313  and name HE% )
      3.400     1.800     1.800 peak   189 weight  0.10000E+01 volume  0.12556E-02 ppm1      8.230 ppm2      7.500 CV     1
 ASSI {  193}
   (( segid "SH3 " and resid 321  and name HN  ))
   (  segid "SH3 " and resid 321  and name HD1%)
      4.600     2.000     1.400 peak   193 weight  0.10000E+01 volume  0.92116E-03 ppm1      8.220 ppm2      0.600 CV     1
 ASSI {  924}
   (( segid "SH3 " and resid 321  and name HN  ))
   (( segid "SH3 " and resid 320  and name HB  ))
      2.200     1.100     1.100 peak   924 weight  0.10000E+01 volume  0.53954E-02 ppm1      8.220 ppm2      4.610 CV     1
 ASSI {  192}
   (( segid "SH3 " and resid 321  and name HN  ))
   (( segid "SH3 " and resid 321  and name HB2 ))
      3.000     1.500     1.500 peak   192 weight  0.10000E+01 volume  0.24623E-02 ppm1      8.220 ppm2      0.770 CV     1
 ASSI {  249}
   (( segid "SH3 " and resid 325  and name HN  ))
   (( segid "SH3 " and resid 325  and name HD1 ))
      4.200     1.700     1.700 peak   249 weight  0.10000E+01 volume  0.13930E-02 ppm1      8.920 ppm2      1.140 CV     1
 OR {  249}
   (( segid "SH3 " and resid 325  and name HN  ))
   (( segid "SH3 " and resid 325  and name HD2 ))
 ASSI {  324}
   (( segid "SH3 " and resid 331  and name HN  ))
   (( segid "SH3 " and resid 330  and name HA  ))
      2.000     1.000     1.000 peak   324 weight  0.10000E+01 volume  0.99078E-02 ppm1      8.570 ppm2      5.110 CV     1
 ASSI {  804}
   (( segid "SH3 " and resid 331  and name HN  ))
   (( segid "SH3 " and resid 330  and name HB1 ))
      3.400     1.500     1.500 peak   804 weight  0.10000E+01 volume  0.20993E-02 ppm1      8.570 ppm2      1.700 CV     1
 OR {  804}
   (( segid "SH3 " and resid 331  and name HN  ))
   (( segid "SH3 " and resid 330  and name HB2 ))
 ASSI {  323}
   (( segid "SH3 " and resid 331  and name HN  ))
   (( segid "SH3 " and resid 331  and name HA  ))
      2.700     1.600     1.600 peak   323 weight  0.10000E+01 volume  0.18442E-02 ppm1      8.570 ppm2      3.960 CV     1
 ASSI {  319}
   (( segid "SH3 " and resid 331  and name HN  ))
   (  segid "SH3 " and resid 331  and name HG2%)
      2.500     1.300     1.300 peak   319 weight  0.10000E+01 volume  0.35708E-02 ppm1      8.570 ppm2     -0.090 CV     1
 ASSI {  320}
   (( segid "SH3 " and resid 331  and name HN  ))
   (( segid "SH3 " and resid 331  and name HB  ))
      2.300     1.100     1.100 peak   320 weight  0.10000E+01 volume  0.59448E-02 ppm1      8.570 ppm2      1.530 CV     1
 ASSI {  322}
   (( segid "SH3 " and resid 331  and name HN  ))
   (( segid "SH3 " and resid 305  and name HB1 ))
      3.300     1.900     1.900 peak   322 weight  0.10000E+01 volume  0.10300E-02 ppm1      8.570 ppm2      3.090 CV     1
 ASSI {  315}
   (( segid "SH3 " and resid 331  and name HN  ))
   (( segid "SH3 " and resid 305  and name HA  ))
      3.200     1.800     1.800 peak   315 weight  0.10000E+01 volume  0.11772E-02 ppm1      8.590 ppm2      4.930 CV     1
 ASSI {  317}
   (( segid "SH3 " and resid 331  and name HN  ))
   (  segid "SH3 " and resid 331  and name HG1%)
      3.900     1.700     1.700 peak   317 weight  0.10000E+01 volume  0.16383E-02 ppm1      8.570 ppm2      0.270 CV     1
 ASSI {  925}
   (( segid "SH3 " and resid 325  and name HN  ))
   (( segid "SH3 " and resid 312  and name HA  ))
      2.200     0.900     0.900 peak   925 weight  0.10000E+01 volume  0.11674E-01 ppm1      8.920 ppm2      4.890 CV     1
 ASSI {  244}
   (( segid "SH3 " and resid 325  and name HN  ))
   (( segid "SH3 " and resid 325  and name HB1 ))
      2.300     1.100     1.100 peak   244 weight  0.10000E+01 volume  0.61701E-02 ppm1      8.920 ppm2      1.660 CV     1
 OR {  244}
   (( segid "SH3 " and resid 325  and name HN  ))
   (( segid "SH3 " and resid 325  and name HB2 ))
 ASSI {  314}
   (( segid "SH3 " and resid 331  and name HN  ))
   (  segid "SH3 " and resid 307  and name HD% )
      3.100     1.900     1.900 peak   314 weight  0.10000E+01 volume  0.10300E-02 ppm1      8.570 ppm2      6.920 CV     1
 ASSI {  245}
   (( segid "SH3 " and resid 325  and name HN  ))
   (( segid "SH3 " and resid 325  and name HG2 ))
      2.400     1.100     1.100 peak   245 weight  0.10000E+01 volume  0.59839E-02 ppm1      8.920 ppm2      1.530 CV     1
 OR {  245}
   (( segid "SH3 " and resid 325  and name HN  ))
   (( segid "SH3 " and resid 325  and name HG1 ))
 ASSI {  246}
   (( segid "SH3 " and resid 325  and name HN  ))
   (  segid "SH3 " and resid 324  and name HG2%)
      2.800     1.300     1.300 peak   246 weight  0.10000E+01 volume  0.33255E-02 ppm1      8.920 ppm2      1.260 CV     1
 ASSI {  313}
   (( segid "SH3 " and resid 331  and name HN  ))
   (  segid "SH3 " and resid 307  and name HE% )
      4.100     2.100     1.900 peak   313 weight  0.10000E+01 volume  0.71613E-03 ppm1      8.570 ppm2      7.340 CV     1
 ASSI {  248}
   (( segid "SH3 " and resid 325  and name HN  ))
   (( segid "SH3 " and resid 324  and name HN  ))
      3.800     1.800     1.800 peak   248 weight  0.10000E+01 volume  0.12949E-02 ppm1      8.920 ppm2     -0.990 CV     1
 ASSI {  799}
   (( segid "SH3 " and resid 327  and name HN  ))
   (  segid "SH3 " and resid 324  and name HG2%)
      4.200     2.300     1.800 peak   799 weight  0.10000E+01 volume  0.59646E-03 ppm1      8.500 ppm2      1.250 CV     1
 ASSI {  767}
   (( segid "SH3 " and resid 327  and name HN  ))
   (( segid "SH3 " and resid 325  and name HA  ))
      3.000     1.600     1.600 peak   767 weight  0.10000E+01 volume  0.20012E-02 ppm1      8.500 ppm2      3.280 CV     1
 ASSI {  801}
   (( segid "SH3 " and resid 327  and name HN  ))
   (( segid "SH3 " and resid 308  and name HA  ))
      4.500     2.300     1.500 peak   801 weight  0.10000E+01 volume  0.53267E-03 ppm1      8.500 ppm2      5.220 CV     1
 ASSI {  765}
   (( segid "SH3 " and resid 327  and name HN  ))
   (( segid "SH3 " and resid 326  and name HN  ))
      2.400     1.200     1.200 peak   765 weight  0.10000E+01 volume  0.47283E-02 ppm1      8.500 ppm2      8.950 CV     1
 ASSI {  773}
   (( segid "SH3 " and resid 327  and name HN  ))
   (  segid "SH3 " and resid 308  and name HG2%)
      3.400     1.700     1.700 peak   773 weight  0.10000E+01 volume  0.13832E-02 ppm1      8.500 ppm2      0.820 CV     1
 ASSI {  772}
   (( segid "SH3 " and resid 327  and name HN  ))
   (  segid "SH3 " and resid 309  and name HB% )
      2.300     1.100     1.100 peak   772 weight  0.10000E+01 volume  0.69354E-02 ppm1      8.500 ppm2      1.550 CV     1
 ASSI {  771}
   (( segid "SH3 " and resid 327  and name HN  ))
   (( segid "SH3 " and resid 327  and name HG1 ))
      3.300     1.200     1.200 peak   771 weight  0.10000E+01 volume  0.53071E-02 ppm1      8.500 ppm2      2.090 CV     1
 OR {  771}
   (( segid "SH3 " and resid 327  and name HN  ))
   (( segid "SH3 " and resid 327  and name HG2 ))
 ASSI {  766}
   (( segid "SH3 " and resid 327  and name HN  ))
   (( segid "SH3 " and resid 326  and name HA2 ))
      3.100     1.600     1.600 peak   766 weight  0.10000E+01 volume  0.19228E-02 ppm1      8.500 ppm2      3.450 CV     1
 ASSI {  769}
   (( segid "SH3 " and resid 327  and name HN  ))
   (( segid "SH3 " and resid 327  and name HB1 ))
      3.000     1.600     1.600 peak   769 weight  0.10000E+01 volume  0.16971E-02 ppm1      8.500 ppm2      2.510 CV     1
 ASSI {  770}
   (( segid "SH3 " and resid 327  and name HN  ))
   (( segid "SH3 " and resid 327  and name HB2 ))
      2.200     1.000     1.000 peak   770 weight  0.10000E+01 volume  0.77008E-02 ppm1      8.500 ppm2      2.330 CV     1
 ASSI {  800}
   (( segid "SH3 " and resid 327  and name HN  ))
   (( segid "SH3 " and resid 327  and name HA  ))
      2.500     1.100     1.100 peak   800 weight  0.10000E+01 volume  0.54347E-02 ppm1      8.500 ppm2      4.300 CV     1
 ASSI {  802}
   (( segid "SH3 " and resid 327  and name HN  ))
   (( segid "SH3 " and resid 324  and name HB  ))
      3.900     2.300     2.100 peak   802 weight  0.10000E+01 volume  0.57093E-03 ppm1      8.500 ppm2      3.910 CV     1
 ASSI {  276}
   (( segid "SH3 " and resid 328  and name HN  ))
   (  segid "SH3 " and resid 308  and name HG2%)
      3.700     2.100     2.100 peak   276 weight  0.10000E+01 volume  0.70826E-03 ppm1      8.310 ppm2      0.820 CV     1
 ASSI {  280}
   (( segid "SH3 " and resid 328  and name HN  ))
   (( segid "SH3 " and resid 327  and name HG1 ))
      3.100     1.700     1.700 peak   280 weight  0.10000E+01 volume  0.16383E-02 ppm1      8.320 ppm2      2.100 CV     1
 OR {  280}
   (( segid "SH3 " and resid 328  and name HN  ))
   (( segid "SH3 " and resid 327  and name HG2 ))
 ASSI {  282}
   (( segid "SH3 " and resid 328  and name HN  ))
   (( segid "SH3 " and resid 327  and name HB1 ))
      3.600     1.700     1.700 peak   282 weight  0.10000E+01 volume  0.15892E-02 ppm1      8.310 ppm2      2.500 CV     1
 ASSI {  284}
   (( segid "SH3 " and resid 328  and name HN  ))
   (( segid "SH3 " and resid 328  and name HA  ))
      2.600     1.400     1.400 peak   284 weight  0.10000E+01 volume  0.26487E-02 ppm1      8.320 ppm2      5.220 CV     1
 ASSI {  277}
   (( segid "SH3 " and resid 328  and name HN  ))
   (( segid "SH3 " and resid 328  and name HD1 ))
      3.700     1.700     1.700 peak   277 weight  0.10000E+01 volume  0.16383E-02 ppm1      8.320 ppm2      1.450 CV     1
 OR {  277}
   (( segid "SH3 " and resid 328  and name HN  ))
   (( segid "SH3 " and resid 328  and name HD2 ))
 ASSI {  278}
   (( segid "SH3 " and resid 328  and name HN  ))
   (( segid "SH3 " and resid 328  and name HG1 ))
      2.600     1.300     1.300 peak   278 weight  0.10000E+01 volume  0.38259E-02 ppm1      8.320 ppm2      1.680 CV     1
 OR {  278}
   (( segid "SH3 " and resid 328  and name HN  ))
   (( segid "SH3 " and resid 328  and name HG2 ))
 ASSI {  281}
   (( segid "SH3 " and resid 328  and name HN  ))
   (( segid "SH3 " and resid 327  and name HB2 ))
      3.500     1.300     1.300 peak   281 weight  0.10000E+01 volume  0.35316E-02 ppm1      8.320 ppm2      2.330 CV     1
 ASSI {  283}
   (( segid "SH3 " and resid 328  and name HN  ))
   (( segid "SH3 " and resid 327  and name HA  ))
      2.000     0.800     0.800 peak   283 weight  0.10000E+01 volume  0.15304E-01 ppm1      8.320 ppm2      4.290 CV     1
 ASSI {  279}
   (( segid "SH3 " and resid 328  and name HN  ))
   (( segid "SH3 " and resid 328  and name HB2 ))
      2.400     1.100     1.100 peak   279 weight  0.10000E+01 volume  0.67294E-02 ppm1      8.320 ppm2      1.860 CV     1
 OR {  279}
   (( segid "SH3 " and resid 328  and name HN  ))
   (( segid "SH3 " and resid 328  and name HB1 ))
 ASSI {  405}
   (( segid "SH3 " and resid 339  and name HN  ))
   (( segid "SH3 " and resid 338  and name HA2 ))
      3.200     1.800     1.800 peak   405 weight  0.10000E+01 volume  0.12459E-02 ppm1      8.400 ppm2      3.700 CV     1
 ASSI {  409}
   (( segid "SH3 " and resid 339  and name HN  ))
   (( segid "SH3 " and resid 337  and name HN  ))
      4.300     2.500     1.700 peak   409 weight  0.10000E+01 volume  0.44340E-03 ppm1      8.400 ppm2      6.570 CV     1
 ASSI {  814}
   (( segid "SH3 " and resid 339  and name HN  ))
   (( segid "SH3 " and resid 335  and name HD22))
      4.100     1.600     1.600 peak   814 weight  0.10000E+01 volume  0.18050E-02 ppm1      8.400 ppm2      7.070 CV     1
 ASSI {  815}
   (( segid "SH3 " and resid 339  and name HN  ))
   (( segid "SH3 " and resid 337  and name HB2 ))
      3.700     2.200     2.200 peak   815 weight  0.10000E+01 volume  0.64939E-03 ppm1      8.400 ppm2      2.510 CV     1
 ASSI {  407}
   (( segid "SH3 " and resid 339  and name HN  ))
   (( segid "SH3 " and resid 338  and name HA1 ))
      3.600     1.800     1.800 peak   407 weight  0.10000E+01 volume  0.12164E-02 ppm1      8.400 ppm2      4.200 CV     1
 ASSI {  813}
   (( segid "SH3 " and resid 339  and name HN  ))
   (( segid "SH3 " and resid 339  and name HB2 ))
      2.100     1.000     1.000 peak   813 weight  0.10000E+01 volume  0.83189E-02 ppm1      8.400 ppm2      2.150 CV     1
 ASSI {  406}
   (( segid "SH3 " and resid 339  and name HN  ))
   (( segid "SH3 " and resid 339  and name HA  ))
      2.600     1.300     1.300 peak   406 weight  0.10000E+01 volume  0.34433E-02 ppm1      8.400 ppm2      4.060 CV     1
 ASSI {  404}
   (( segid "SH3 " and resid 339  and name HN  ))
   (( segid "SH3 " and resid 337  and name HB1 ))
      3.900     2.500     2.100 peak   404 weight  0.10000E+01 volume  0.41594E-03 ppm1      8.400 ppm2      3.210 CV     1
 ASSI {  134}
   (( segid "SH3 " and resid 313  and name HN  ))
   (( segid "SH3 " and resid 313  and name HB2 ))
      2.800     1.600     1.600 peak   134 weight  0.10000E+01 volume  0.19031E-02 ppm1      8.920 ppm2      3.170 CV     1
 ASSI {  128}
   (( segid "SH3 " and resid 313  and name HN  ))
   (  segid "SH3 " and resid 313  and name HD% )
      4.300     2.000     1.700 peak   128 weight  0.10000E+01 volume  0.82306E-03 ppm1      8.920 ppm2      7.370 CV     1
 ASSI {  127}
   (( segid "SH3 " and resid 313  and name HN  ))
   (( segid "SH3 " and resid 314  and name HN  ))
      4.500     2.400     1.500 peak   127 weight  0.10000E+01 volume  0.49834E-03 ppm1      8.920 ppm2      7.900 CV     1
 ASSI {  131}
   (( segid "SH3 " and resid 313  and name HN  ))
   (( segid "SH3 " and resid 313  and name HA  ))
      2.700     1.400     1.400 peak   131 weight  0.10000E+01 volume  0.31097E-02 ppm1      8.930 ppm2      5.030 CV     1
 ASSI {  137}
   (( segid "SH3 " and resid 313  and name HN  ))
   (( segid "SH3 " and resid 312  and name HB2 ))
      3.600     1.600     1.600 peak   137 weight  0.10000E+01 volume  0.16775E-02 ppm1      8.920 ppm2      2.630 CV     1
 ASSI {  926}
   (( segid "SH3 " and resid 313  and name HN  ))
   (  segid "SH3 " and resid 323  and name HD1%)
      3.200     1.500     1.500 peak   926 weight  0.10000E+01 volume  0.20306E-02 ppm1      8.920 ppm2      0.850 CV     1
 OR {  926}
   (( segid "SH3 " and resid 313  and name HN  ))
   (  segid "SH3 " and resid 323  and name HG2%)
 ASSI {  136}
   (( segid "SH3 " and resid 313  and name HN  ))
   (( segid "SH3 " and resid 312  and name HB1 ))
      3.700     1.400     1.400 peak   136 weight  0.10000E+01 volume  0.25506E-02 ppm1      8.920 ppm2      2.730 CV     1
 ASSI {  130}
   (( segid "SH3 " and resid 313  and name HN  ))
   (( segid "SH3 " and resid 312  and name HA  ))
      2.000     0.900     0.900 peak   130 weight  0.10000E+01 volume  0.10889E-01 ppm1      8.920 ppm2      4.860 CV     1
 ASSI {  135}
   (( segid "SH3 " and resid 313  and name HN  ))
   (( segid "SH3 " and resid 313  and name HB1 ))
      2.700     1.400     1.400 peak   135 weight  0.10000E+01 volume  0.26192E-02 ppm1      8.920 ppm2      3.040 CV     1
 ASSI {    2}
   (( segid "SH3 " and resid 306  and name HN  ))
   (( segid "SH3 " and resid 304  and name HA  ))
      4.300     2.300     1.700 peak     2 weight  0.10000E+01 volume  0.56014E-03 ppm1      7.650 ppm2      4.490 CV     1
 ASSI {  716}
   (( segid "SH3 " and resid 362  and name HN  ))
   (( segid "SH3 " and resid 362  and name HA  ))
      3.000     1.600     1.600 peak   716 weight  0.10000E+01 volume  0.19521E-02 ppm1      7.820 ppm2      4.190 CV     1
 ASSI {  718}
   (( segid "SH3 " and resid 362  and name HN  ))
   (( segid "SH3 " and resid 361  and name HB1 ))
      4.600     2.400     1.400 peak   718 weight  0.10000E+01 volume  0.48755E-03 ppm1      7.820 ppm2      2.780 CV     1
 ASSI {    4}
   (( segid "SH3 " and resid 306  and name HN  ))
   (( segid "SH3 " and resid 305  and name HB2 ))
      3.600     2.100     2.100 peak     4 weight  0.10000E+01 volume  0.73379E-03 ppm1      7.650 ppm2      2.930 CV     1
 ASSI {  717}
   (( segid "SH3 " and resid 362  and name HN  ))
   (( segid "SH3 " and resid 362  and name HB2 ))
      3.400     1.800     1.800 peak   717 weight  0.10000E+01 volume  0.11870E-02 ppm1      7.820 ppm2      3.800 CV     1
 OR {  717}
   (( segid "SH3 " and resid 362  and name HN  ))
   (( segid "SH3 " and resid 362  and name HB1 ))
 ASSI {  719}
   (( segid "SH3 " and resid 362  and name HN  ))
   (  segid "SH3 " and resid 360  and name HG2%)
      2.800     1.900     1.900 peak   719 weight  0.10000E+01 volume  0.10202E-02 ppm1      7.820 ppm2      0.830 CV     1
 ASSI {    3}
   (( segid "SH3 " and resid 306  and name HN  ))
   (( segid "SH3 " and resid 305  and name HB1 ))
      4.100     2.100     1.900 peak     3 weight  0.10000E+01 volume  0.73277E-03 ppm1      7.650 ppm2      3.090 CV     1
 ASSI {    6}
   (( segid "SH3 " and resid 306  and name HN  ))
   (( segid "SH3 " and resid 306  and name HB2 ))
      2.600     1.300     1.300 peak     6 weight  0.10000E+01 volume  0.32274E-02 ppm1      7.650 ppm2      1.700 CV     1
 OR {    6}
   (( segid "SH3 " and resid 306  and name HN  ))
   (( segid "SH3 " and resid 306  and name HB1 ))
 ASSI {   15}
   (( segid "SH3 " and resid 306  and name HN  ))
   (( segid "SH3 " and resid 305  and name HA  ))
      2.700     1.200     1.200 peak    15 weight  0.10000E+01 volume  0.49932E-02 ppm1      7.650 ppm2      4.920 CV     1
 ASSI {   12}
   (( segid "SH3 " and resid 306  and name HN  ))
   (  segid "SH3 " and resid 307  and name HE% )
      3.800     2.100     2.100 peak    12 weight  0.10000E+01 volume  0.70141E-03 ppm1      7.650 ppm2      7.330 CV     1
 ASSI {   11}
   (( segid "SH3 " and resid 306  and name HN  ))
   (( segid "SH3 " and resid 360  and name HN  ))
      3.600     1.900     1.900 peak    11 weight  0.10000E+01 volume  0.97709E-03 ppm1      7.650 ppm2      7.960 CV     1
 ASSI {   17}
   (( segid "SH3 " and resid 306  and name HN  ))
   (  segid "SH3 " and resid 306  and name HD2%)
      4.600     1.900     1.400 peak    17 weight  0.10000E+01 volume  0.10104E-02 ppm1      7.650 ppm2      0.850 CV     1
 ASSI {   16}
   (( segid "SH3 " and resid 306  and name HN  ))
   (( segid "SH3 " and resid 304  and name HG2 ))
      4.600     2.400     1.400 peak    16 weight  0.10000E+01 volume  0.46695E-03 ppm1      7.650 ppm2      1.990 CV     1
 ASSI {  615}
   (( segid "SH3 " and resid 351  and name HN  ))
   (  segid "SH3 " and resid 320  and name HG2%)
      3.900     1.700     1.700 peak   615 weight  0.10000E+01 volume  0.13832E-02 ppm1      8.810 ppm2      1.280 CV     1
 ASSI {  617}
   (( segid "SH3 " and resid 351  and name HN  ))
   (( segid "SH3 " and resid 351  and name HB1 ))
      3.700     1.500     1.500 peak   617 weight  0.10000E+01 volume  0.21680E-02 ppm1      8.810 ppm2      3.210 CV     1
 ASSI {  619}
   (( segid "SH3 " and resid 351  and name HN  ))
   (( segid "SH3 " and resid 350  and name HA1 ))
      2.600     1.200     1.200 peak   619 weight  0.10000E+01 volume  0.43262E-02 ppm1      8.810 ppm2      4.130 CV     1
 ASSI {  620}
   (( segid "SH3 " and resid 351  and name HN  ))
   (( segid "SH3 " and resid 320  and name HA  ))
      2.200     1.200     1.200 peak   620 weight  0.10000E+01 volume  0.53366E-02 ppm1      8.810 ppm2      5.150 CV     1
 ASSI {  618}
   (( segid "SH3 " and resid 351  and name HN  ))
   (( segid "SH3 " and resid 350  and name HA2 ))
      2.300     1.200     1.200 peak   618 weight  0.10000E+01 volume  0.42281E-02 ppm1      8.810 ppm2      4.020 CV     1
 ASSI {  622}
   (( segid "SH3 " and resid 351  and name HN  ))
   (( segid "SH3 " and resid 351  and name HD1 ))
      2.800     1.300     1.300 peak   622 weight  0.10000E+01 volume  0.33746E-02 ppm1      8.810 ppm2      7.450 CV     1
 ASSI {  616}
   (( segid "SH3 " and resid 351  and name HN  ))
   (( segid "SH3 " and resid 351  and name HB2 ))
      2.300     1.300     1.300 peak   616 weight  0.10000E+01 volume  0.34433E-02 ppm1      8.810 ppm2      2.860 CV     1
 ASSI {  621}
   (( segid "SH3 " and resid 351  and name HN  ))
   (( segid "SH3 " and resid 351  and name HA  ))
      2.800     1.600     1.600 peak   621 weight  0.10000E+01 volume  0.17266E-02 ppm1      8.810 ppm2      5.440 CV     1
 ASSI {  755}
   (( segid "SH3 " and resid 351  and name HN  ))
   (( segid "SH3 " and resid 320  and name HB  ))
      4.300     2.100     1.700 peak   755 weight  0.10000E+01 volume  0.76419E-03 ppm1      8.810 ppm2      4.600 CV     1
 ASSI {  641}
   (( segid "SH3 " and resid 354  and name HN  ))
   (( segid "SH3 " and resid 354  and name HB1 ))
      2.800     1.500     1.500 peak   641 weight  0.10000E+01 volume  0.24819E-02 ppm1      8.360 ppm2      3.830 CV     1
 OR {  641}
   (( segid "SH3 " and resid 354  and name HN  ))
   (( segid "SH3 " and resid 354  and name HB2 ))
 ASSI {  640}
   (( segid "SH3 " and resid 354  and name HN  ))
   (( segid "SH3 " and resid 353  and name HA  ))
      2.100     1.000     1.000 peak   640 weight  0.10000E+01 volume  0.85051E-02 ppm1      8.360 ppm2      3.550 CV     1
 ASSI {  642}
   (( segid "SH3 " and resid 354  and name HN  ))
   (( segid "SH3 " and resid 354  and name HA  ))
      2.600     1.300     1.300 peak   642 weight  0.10000E+01 volume  0.33354E-02 ppm1      8.360 ppm2      3.970 CV     1
 ASSI {  613}
   (( segid "SH3 " and resid 351  and name HN  ))
   (( segid "SH3 " and resid 352  and name HN  ))
      4.200     2.300     1.800 peak   613 weight  0.10000E+01 volume  0.54543E-03 ppm1      8.820 ppm2     -0.320 CV     1
 ASSI {  639}
   (( segid "SH3 " and resid 354  and name HN  ))
   (( segid "SH3 " and resid 341  and name HN  ))
      3.600     1.800     1.800 peak   639 weight  0.10000E+01 volume  0.12066E-02 ppm1      8.360 ppm2     -0.300 CV     1
 ASSI {  638}
   (( segid "SH3 " and resid 354  and name HN  ))
   (( segid "SH3 " and resid 340  and name HA  ))
      2.500     1.200     1.200 peak   638 weight  0.10000E+01 volume  0.52973E-02 ppm1      8.360 ppm2      5.080 CV     1
 ASSI {  708}
   (( segid "SH3 " and resid 360  and name HN  ))
   (( segid "SH3 " and resid 360  and name HA  ))
      2.700     1.400     1.400 peak   708 weight  0.10000E+01 volume  0.27566E-02 ppm1      7.960 ppm2      3.930 CV     1
 ASSI {  707}
   (( segid "SH3 " and resid 360  and name HN  ))
   (( segid "SH3 " and resid 307  and name HA  ))
      2.400     1.200     1.200 peak   707 weight  0.10000E+01 volume  0.41888E-02 ppm1      7.970 ppm2      5.210 CV     1
 ASSI {  874}
   (( segid "SH3 " and resid 360  and name HN  ))
   (( segid "SH3 " and resid 307  and name HB1 ))
      5.000     2.400     1.000 peak   874 weight  0.10000E+01 volume  0.48657E-03 ppm1      7.970 ppm2      2.690 CV     1
 OR {  874}
   (( segid "SH3 " and resid 360  and name HN  ))
   (( segid "SH3 " and resid 307  and name HB2 ))
 ASSI {  713}
   (( segid "SH3 " and resid 360  and name HN  ))
   (  segid "SH3 " and resid 360  and name HG2%)
      2.500     1.200     1.200 peak   713 weight  0.10000E+01 volume  0.50226E-02 ppm1      7.970 ppm2      0.820 CV     1
 ASSI {  711}
   (( segid "SH3 " and resid 360  and name HN  ))
   (( segid "SH3 " and resid 360  and name HB  ))
      2.700     1.200     1.200 peak   711 weight  0.10000E+01 volume  0.47186E-02 ppm1      7.970 ppm2      1.850 CV     1
 ASSI {  706}
   (( segid "SH3 " and resid 360  and name HN  ))
   (  segid "SH3 " and resid 307  and name HD% )
      4.700     2.500     1.300 peak   706 weight  0.10000E+01 volume  0.41005E-03 ppm1      7.960 ppm2      6.920 CV     1
 ASSI {  933}
   (( segid "SH3 " and resid 360  and name HN  ))
   (( segid "SH3 " and resid 306  and name HG  ))
      3.500     1.700     1.700 peak   933 weight  0.10000E+01 volume  0.15107E-02 ppm1      7.970 ppm2      1.590 CV     1
 ASSI {  204}
   (( segid "SH3 " and resid 322  and name HN  ))
   (( segid "SH3 " and resid 321  and name HB2 ))
      4.100     1.800     1.800 peak   204 weight  0.10000E+01 volume  0.11870E-02 ppm1      8.130 ppm2      0.770 CV     1
 ASSI {  209}
   (( segid "SH3 " and resid 322  and name HN  ))
   (( segid "SH3 " and resid 322  and name HB1 ))
      2.800     1.500     1.500 peak   209 weight  0.10000E+01 volume  0.22563E-02 ppm1      8.130 ppm2      4.030 CV     1
 ASSI {  212}
   (( segid "SH3 " and resid 322  and name HN  ))
   (( segid "SH3 " and resid 322  and name HA  ))
      2.700     1.500     1.500 peak   212 weight  0.10000E+01 volume  0.20699E-02 ppm1      8.130 ppm2      5.050 CV     1
 ASSI {  373}
   (( segid "SH3 " and resid 335  and name HN  ))
   (( segid "SH3 " and resid 341  and name HA  ))
      3.400     1.600     1.600 peak   373 weight  0.10000E+01 volume  0.18050E-02 ppm1      8.910 ppm2      5.120 CV     1
 ASSI {  208}
   (( segid "SH3 " and resid 322  and name HN  ))
   (( segid "SH3 " and resid 322  and name HB2 ))
      2.700     1.300     1.300 peak   208 weight  0.10000E+01 volume  0.39240E-02 ppm1      8.130 ppm2      3.840 CV     1
 ASSI {  307}
   (( segid "SH3 " and resid 330  and name HN  ))
   (( segid "SH3 " and resid 344  and name HB1 ))
      3.600     2.000     2.000 peak   307 weight  0.10000E+01 volume  0.92410E-03 ppm1      8.370 ppm2      1.950 CV     1
 ASSI {  372}
   (( segid "SH3 " and resid 335  and name HN  ))
   (( segid "SH3 " and resid 334  and name HA  ))
      2.300     1.100     1.100 peak   372 weight  0.10000E+01 volume  0.63371E-02 ppm1      8.910 ppm2      5.480 CV     1
 ASSI {  371}
   (( segid "SH3 " and resid 335  and name HN  ))
   (( segid "SH3 " and resid 351  and name HZ3 ))
      2.900     1.400     1.400 peak   371 weight  0.10000E+01 volume  0.28056E-02 ppm1      8.920 ppm2      6.860 CV     1
 ASSI {  935}
   (( segid "SH3 " and resid 335  and name HN  ))
   (( segid "SH3 " and resid 340  and name HB2 ))
      3.400     1.400     1.400 peak   935 weight  0.10000E+01 volume  0.25702E-02 ppm1      8.920 ppm2      2.560 CV     1
 ASSI {  377}
   (( segid "SH3 " and resid 335  and name HN  ))
   (( segid "SH3 " and resid 335  and name HB1 ))
      2.500     1.200     1.200 peak   377 weight  0.10000E+01 volume  0.48167E-02 ppm1      8.910 ppm2      3.290 CV     1
 ASSI {  311}
   (( segid "SH3 " and resid 330  and name HN  ))
   (  segid "SH3 " and resid 329  and name HD1%)
      4.300     1.800     1.700 peak   311 weight  0.10000E+01 volume  0.12164E-02 ppm1      8.370 ppm2      0.620 CV     1
 ASSI {  309}
   (( segid "SH3 " and resid 330  and name HN  ))
   (( segid "SH3 " and resid 329  and name HB2 ))
      2.800     1.300     1.300 peak   309 weight  0.10000E+01 volume  0.37768E-02 ppm1      8.370 ppm2      1.250 CV     1
 ASSI {  376}
   (( segid "SH3 " and resid 335  and name HN  ))
   (( segid "SH3 " and resid 338  and name HA2 ))
      3.200     2.000     2.000 peak   376 weight  0.10000E+01 volume  0.84265E-03 ppm1      8.920 ppm2      3.700 CV     1
 ASSI {  207}
   (( segid "SH3 " and resid 322  and name HN  ))
   (( segid "SH3 " and resid 321  and name HB1 ))
      4.100     2.000     1.900 peak   207 weight  0.10000E+01 volume  0.92308E-03 ppm1      8.130 ppm2      1.560 CV     1
 ASSI {  368}
   (( segid "SH3 " and resid 335  and name HN  ))
   (( segid "SH3 " and resid 338  and name HN  ))
      4.000     2.400     2.000 peak   368 weight  0.10000E+01 volume  0.51011E-03 ppm1      8.910 ppm2      7.630 CV     1
 ASSI {  938}
   (( segid "SH3 " and resid 335  and name HN  ))
   (  segid "SH3 " and resid 334  and name HD% )
      3.700     1.800     1.800 peak   938 weight  0.10000E+01 volume  0.12851E-02 ppm1      8.920 ppm2      7.090 CV     1
 ASSI {  306}
   (( segid "SH3 " and resid 330  and name HN  ))
   (( segid "SH3 " and resid 330  and name HD2 ))
      4.900     2.500     1.100 peak   306 weight  0.10000E+01 volume  0.41692E-03 ppm1      8.360 ppm2      3.140 CV     1
 OR {  306}
   (( segid "SH3 " and resid 330  and name HN  ))
   (( segid "SH3 " and resid 330  and name HD1 ))
 ASSI {  937}
   (( segid "SH3 " and resid 335  and name HN  ))
   (( segid "SH3 " and resid 342  and name HN  ))
      4.700     2.300     1.300 peak   937 weight  0.10000E+01 volume  0.54445E-03 ppm1      8.910 ppm2      8.100 CV     1
 ASSI {  378}
   (( segid "SH3 " and resid 335  and name HN  ))
   (( segid "SH3 " and resid 334  and name HB2 ))
      3.800     1.500     1.500 peak   378 weight  0.10000E+01 volume  0.22072E-02 ppm1      8.910 ppm2      2.960 CV     1
 ASSI {  308}
   (( segid "SH3 " and resid 330  and name HN  ))
   (( segid "SH3 " and resid 330  and name HB2 ))
      2.400     1.200     1.200 peak   308 weight  0.10000E+01 volume  0.47381E-02 ppm1      8.370 ppm2      1.680 CV     1
 OR {  308}
   (( segid "SH3 " and resid 330  and name HN  ))
   (( segid "SH3 " and resid 330  and name HB1 ))
 ASSI {  310}
   (( segid "SH3 " and resid 330  and name HN  ))
   (  segid "SH3 " and resid 343  and name HB% )
      3.900     2.000     2.000 peak   310 weight  0.10000E+01 volume  0.93684E-03 ppm1      8.370 ppm2      1.080 CV     1
 ASSI {  305}
   (( segid "SH3 " and resid 330  and name HN  ))
   (( segid "SH3 " and resid 329  and name HA  ))
      2.000     1.000     1.000 peak   305 weight  0.10000E+01 volume  0.98099E-02 ppm1      8.370 ppm2      4.900 CV     1
 ASSI {  301}
   (( segid "SH3 " and resid 330  and name HN  ))
   (( segid "SH3 " and resid 344  and name HN  ))
      2.500     1.400     1.400 peak   301 weight  0.10000E+01 volume  0.30411E-02 ppm1      8.370 ppm2      8.790 CV     1
 ASSI {  312}
   (( segid "SH3 " and resid 330  and name HN  ))
   (( segid "SH3 " and resid 329  and name HN  ))
      3.900     2.100     2.100 peak   312 weight  0.10000E+01 volume  0.75632E-03 ppm1      8.370 ppm2     -0.850 CV     1
 ASSI {  295}
   (( segid "SH3 " and resid 329  and name HN  ))
   (  segid "SH3 " and resid 306  and name HD1%)
      3.400     1.900     1.900 peak   295 weight  0.10000E+01 volume  0.99078E-03 ppm1      9.140 ppm2      0.940 CV     1
 ASSI {  942}
   (( segid "SH3 " and resid 329  and name HN  ))
   (( segid "SH3 " and resid 329  and name HB2 ))
      2.900     1.700     1.700 peak   942 weight  0.10000E+01 volume  0.14911E-02 ppm1      9.150 ppm2      1.250 CV     1
 ASSI {  290}
   (( segid "SH3 " and resid 329  and name HN  ))
   (( segid "SH3 " and resid 329  and name HA  ))
      2.600     1.400     1.400 peak   290 weight  0.10000E+01 volume  0.25506E-02 ppm1      9.140 ppm2      4.910 CV     1
 ASSI {  291}
   (( segid "SH3 " and resid 329  and name HN  ))
   (( segid "SH3 " and resid 307  and name HB2 ))
      3.600     2.300     2.300 peak   291 weight  0.10000E+01 volume  0.58073E-03 ppm1      9.150 ppm2      2.730 CV     1
 OR {  291}
   (( segid "SH3 " and resid 329  and name HN  ))
   (( segid "SH3 " and resid 307  and name HB1 ))
 ASSI {  289}
   (( segid "SH3 " and resid 329  and name HN  ))
   (( segid "SH3 " and resid 328  and name HA  ))
      1.900     0.900     0.900 peak   289 weight  0.10000E+01 volume  0.12753E-01 ppm1      9.150 ppm2      5.220 CV     1
 ASSI {  941}
   (( segid "SH3 " and resid 329  and name HN  ))
   (( segid "SH3 " and resid 329  and name HB1 ))
      3.000     1.200     1.200 peak   941 weight  0.10000E+01 volume  0.42869E-02 ppm1      9.150 ppm2      1.560 CV     1
 ASSI {  292}
   (( segid "SH3 " and resid 329  and name HN  ))
   (( segid "SH3 " and resid 328  and name HB2 ))
      3.200     1.400     1.400 peak   292 weight  0.10000E+01 volume  0.29331E-02 ppm1      9.150 ppm2      1.840 CV     1
 OR {  292}
   (( segid "SH3 " and resid 329  and name HN  ))
   (( segid "SH3 " and resid 328  and name HB1 ))
 ASSI {  287}
   (( segid "SH3 " and resid 329  and name HN  ))
   (( segid "SH3 " and resid 328  and name HN  ))
      3.700     1.700     1.700 peak   287 weight  0.10000E+01 volume  0.14323E-02 ppm1      9.140 ppm2      8.340 CV     1
 ASSI {  297}
   (( segid "SH3 " and resid 329  and name HN  ))
   (  segid "SH3 " and resid 329  and name HD1%)
      3.700     1.500     1.500 peak   297 weight  0.10000E+01 volume  0.20601E-02 ppm1      9.150 ppm2      0.640 CV     1
 ASSI {  586}
   (( segid "SH3 " and resid 349  and name HN  ))
   (( segid "SH3 " and resid 348  and name HA2 ))
      2.700     1.100     1.100 peak   586 weight  0.10000E+01 volume  0.66807E-02 ppm1      8.240 ppm2      3.910 CV     1
 ASSI {  585}
   (( segid "SH3 " and resid 349  and name HN  ))
   (( segid "SH3 " and resid 348  and name HA1 ))
      2.200     1.000     1.000 peak   585 weight  0.10000E+01 volume  0.84463E-02 ppm1      8.240 ppm2      4.300 CV     1
 ASSI {  587}
   (( segid "SH3 " and resid 349  and name HN  ))
   (( segid "SH3 " and resid 349  and name HA  ))
      2.800     1.500     1.500 peak   587 weight  0.10000E+01 volume  0.20404E-02 ppm1      8.240 ppm2      5.610 CV     1
 ASSI {  592}
   (( segid "SH3 " and resid 349  and name HN  ))
   (( segid "SH3 " and resid 349  and name HG2 ))
      2.800     1.400     1.400 peak   592 weight  0.10000E+01 volume  0.27075E-02 ppm1      8.240 ppm2      1.810 CV     1
 OR {  592}
   (( segid "SH3 " and resid 349  and name HN  ))
   (( segid "SH3 " and resid 349  and name HG1 ))
 ASSI {  591}
   (( segid "SH3 " and resid 349  and name HN  ))
   (( segid "SH3 " and resid 349  and name HB1 ))
      3.000     1.400     1.400 peak   591 weight  0.10000E+01 volume  0.28547E-02 ppm1      8.240 ppm2      2.090 CV     1
 OR {  591}
   (( segid "SH3 " and resid 349  and name HN  ))
   (( segid "SH3 " and resid 349  and name HB2 ))
 ASSI {  588}
   (( segid "SH3 " and resid 349  and name HN  ))
   (( segid "SH3 " and resid 348  and name HN  ))
      4.300     2.000     1.700 peak   588 weight  0.10000E+01 volume  0.84168E-03 ppm1      8.240 ppm2      7.460 CV     1
 ASSI {  667}
   (( segid "SH3 " and resid 356  and name HN  ))
   (( segid "SH3 " and resid 356  and name HA  ))
      2.600     1.400     1.400 peak   667 weight  0.10000E+01 volume  0.29135E-02 ppm1      7.910 ppm2      4.740 CV     1
 ASSI {  669}
   (( segid "SH3 " and resid 356  and name HN  ))
   (( segid "SH3 " and resid 354  and name HA  ))
      3.800     2.000     2.000 peak   669 weight  0.10000E+01 volume  0.94765E-03 ppm1      7.910 ppm2      3.980 CV     1
 ASSI {  950}
   (( segid "SH3 " and resid 356  and name HN  ))
   (( segid "SH3 " and resid 353  and name HB2 ))
      2.400     1.600     1.600 peak   950 weight  0.10000E+01 volume  0.16873E-02 ppm1      7.910 ppm2      1.310 CV     1
 OR {  950}
   (( segid "SH3 " and resid 356  and name HN  ))
   (( segid "SH3 " and resid 353  and name HB1 ))
 ASSI {  668}
   (( segid "SH3 " and resid 356  and name HN  ))
   (( segid "SH3 " and resid 355  and name HA  ))
      3.200     1.700     1.700 peak   668 weight  0.10000E+01 volume  0.15304E-02 ppm1      7.910 ppm2      4.850 CV     1
 ASSI {  664}
   (( segid "SH3 " and resid 356  and name HN  ))
   (( segid "SH3 " and resid 357  and name HN  ))
      2.200     1.100     1.100 peak   664 weight  0.10000E+01 volume  0.56997E-02 ppm1      7.910 ppm2      7.350 CV     1
 ASSI {  677}
   (( segid "SH3 " and resid 356  and name HN  ))
   (  segid "SH3 " and resid 357  and name HD1%)
      4.700     2.200     1.300 peak   677 weight  0.10000E+01 volume  0.63467E-03 ppm1      7.910 ppm2      0.230 CV     1
 ASSI {  670}
   (( segid "SH3 " and resid 356  and name HN  ))
   (( segid "SH3 " and resid 356  and name HB1 ))
      3.500     1.400     1.400 peak   670 weight  0.10000E+01 volume  0.28252E-02 ppm1      7.910 ppm2      3.350 CV     1
 ASSI {  671}
   (( segid "SH3 " and resid 356  and name HN  ))
   (( segid "SH3 " and resid 356  and name HB2 ))
      2.200     1.200     1.200 peak   671 weight  0.10000E+01 volume  0.45027E-02 ppm1      7.910 ppm2      3.190 CV     1
 ASSI {  665}
   (( segid "SH3 " and resid 356  and name HN  ))
   (  segid "SH3 " and resid 356  and name HD% )
      2.500     1.400     1.400 peak   665 weight  0.10000E+01 volume  0.25702E-02 ppm1      7.910 ppm2      7.030 CV     1
 ASSI {  948}
   (( segid "SH3 " and resid 356  and name HN  ))
   (( segid "SH3 " and resid 355  and name HN  ))
      2.500     1.400     1.400 peak   948 weight  0.10000E+01 volume  0.27075E-02 ppm1      7.910 ppm2      8.370 CV     1
 ASSI {  230}
   (( segid "SH3 " and resid 324  and name HN  ))
   (( segid "SH3 " and resid 327  and name HG2 ))
      3.500     1.800     1.800 peak   230 weight  0.10000E+01 volume  0.13440E-02 ppm1      9.000 ppm2      2.100 CV     1
 OR {  230}
   (( segid "SH3 " and resid 324  and name HN  ))
   (( segid "SH3 " and resid 327  and name HG1 ))
 ASSI {  676}
   (( segid "SH3 " and resid 356  and name HN  ))
   (  segid "SH3 " and resid 357  and name HG2%)
      3.500     1.700     1.700 peak   676 weight  0.10000E+01 volume  0.14224E-02 ppm1      7.910 ppm2      0.630 CV     1
 ASSI {  233}
   (( segid "SH3 " and resid 324  and name HN  ))
   (( segid "SH3 " and resid 324  and name HB  ))
      2.700     1.300     1.300 peak   233 weight  0.10000E+01 volume  0.36198E-02 ppm1      9.000 ppm2      3.900 CV     1
 ASSI {  227}
   (( segid "SH3 " and resid 324  and name HN  ))
   (  segid "SH3 " and resid 324  and name HG2%)
      3.200     1.600     1.600 peak   227 weight  0.10000E+01 volume  0.17069E-02 ppm1      9.000 ppm2      1.260 CV     1
 ASSI {  232}
   (( segid "SH3 " and resid 324  and name HN  ))
   (( segid "SH3 " and resid 327  and name HB1 ))
      3.600     2.000     2.000 peak   232 weight  0.10000E+01 volume  0.82991E-03 ppm1      9.000 ppm2      2.510 CV     1
 ASSI {  231}
   (( segid "SH3 " and resid 324  and name HN  ))
   (( segid "SH3 " and resid 327  and name HB2 ))
      2.800     1.500     1.500 peak   231 weight  0.10000E+01 volume  0.22464E-02 ppm1      9.010 ppm2      2.330 CV     1
 ASSI {  235}
   (( segid "SH3 " and resid 324  and name HN  ))
   (( segid "SH3 " and resid 324  and name HA  ))
      2.800     1.500     1.500 peak   235 weight  0.10000E+01 volume  0.22661E-02 ppm1      9.000 ppm2      4.910 CV     1
 ASSI {  868}
   (( segid "SH3 " and resid 356  and name HN  ))
   (( segid "SH3 " and resid 355  and name HD22))
      4.600     2.400     1.400 peak   868 weight  0.10000E+01 volume  0.49638E-03 ppm1      7.910 ppm2      6.610 CV     1
 ASSI {  672}
   (( segid "SH3 " and resid 356  and name HN  ))
   (( segid "SH3 " and resid 355  and name HB2 ))
      3.600     2.600     2.400 peak   672 weight  0.10000E+01 volume  0.38062E-03 ppm1      7.910 ppm2      2.790 CV     1
 ASSI {  228}
   (( segid "SH3 " and resid 324  and name HN  ))
   (  segid "SH3 " and resid 309  and name HB% )
      3.700     1.900     1.900 peak   228 weight  0.10000E+01 volume  0.11085E-02 ppm1      9.010 ppm2      1.550 CV     1
 ASSI {  443}
   (( segid "SH3 " and resid 340  and name HN  ))
   (( segid "SH3 " and resid 334  and name HA  ))
      4.800     2.500     1.200 peak   443 weight  0.10000E+01 volume  0.41398E-03 ppm1      8.310 ppm2      5.470 CV     1
 ASSI {  446}
   (( segid "SH3 " and resid 340  and name HN  ))
   (( segid "SH3 " and resid 338  and name HN  ))
      4.600     2.300     1.400 peak   446 weight  0.10000E+01 volume  0.56799E-03 ppm1      8.320 ppm2      7.640 CV     1
 ASSI {  438}
   (( segid "SH3 " and resid 340  and name HN  ))
   (( segid "SH3 " and resid 340  and name HB2 ))
      2.300     1.300     1.300 peak   438 weight  0.10000E+01 volume  0.33157E-02 ppm1      8.320 ppm2      2.540 CV     1
 ASSI {  437}
   (( segid "SH3 " and resid 340  and name HN  ))
   (( segid "SH3 " and resid 339  and name HB1 ))
      3.400     1.600     1.600 peak   437 weight  0.10000E+01 volume  0.18442E-02 ppm1      8.320 ppm2      2.150 CV     1
 ASSI {  444}
   (( segid "SH3 " and resid 340  and name HN  ))
   (( segid "SH3 " and resid 340  and name HD1 ))
      3.100     1.500     1.500 peak   444 weight  0.10000E+01 volume  0.23936E-02 ppm1      8.320 ppm2      7.080 CV     1
 ASSI {  450}
   (( segid "SH3 " and resid 340  and name HN  ))
   (( segid "SH3 " and resid 338  and name HA2 ))
      4.000     2.200     2.000 peak   450 weight  0.10000E+01 volume  0.62879E-03 ppm1      8.320 ppm2      3.700 CV     1
 ASSI {  442}
   (( segid "SH3 " and resid 340  and name HN  ))
   (( segid "SH3 " and resid 340  and name HA  ))
      2.700     1.500     1.500 peak   442 weight  0.10000E+01 volume  0.21778E-02 ppm1      8.320 ppm2      5.080 CV     1
 ASSI {  440}
   (( segid "SH3 " and resid 340  and name HN  ))
   (( segid "SH3 " and resid 340  and name HB1 ))
      3.700     1.700     1.700 peak   440 weight  0.10000E+01 volume  0.14518E-02 ppm1      8.320 ppm2      3.450 CV     1
 ASSI {  436}
   (( segid "SH3 " and resid 340  and name HN  ))
   (( segid "SH3 " and resid 339  and name HG1 ))
      4.100     1.900     1.900 peak   436 weight  0.10000E+01 volume  0.10399E-02 ppm1      8.320 ppm2      2.010 CV     1
 OR {  436}
   (( segid "SH3 " and resid 340  and name HN  ))
   (( segid "SH3 " and resid 339  and name HG2 ))
 ASSI {  449}
   (( segid "SH3 " and resid 340  and name HN  ))
   (( segid "SH3 " and resid 335  and name HN  ))
      3.600     1.800     1.800 peak   449 weight  0.10000E+01 volume  0.11478E-02 ppm1      8.320 ppm2      8.930 CV     1
 ASSI {  451}
   (( segid "SH3 " and resid 340  and name HN  ))
   (( segid "SH3 " and resid 335  and name HB1 ))
      3.400     2.200     2.200 peak   451 weight  0.10000E+01 volume  0.66513E-03 ppm1      8.320 ppm2      3.280 CV     1
 ASSI {  751}
   (( segid "SH3 " and resid 341  and name HN  ))
   (( segid "SH3 " and resid 354  and name HB1 ))
      4.400     2.600     1.600 peak   751 weight  0.10000E+01 volume  0.35708E-03 ppm1      9.710 ppm2      3.800 CV     1
 OR {  751}
   (( segid "SH3 " and resid 341  and name HN  ))
   (( segid "SH3 " and resid 354  and name HB2 ))
 ASSI {  467}
   (( segid "SH3 " and resid 341  and name HN  ))
   (( segid "SH3 " and resid 341  and name HB2 ))
      2.700     1.800     1.800 peak   467 weight  0.10000E+01 volume  0.12164E-02 ppm1      9.710 ppm2      2.190 CV     1
 ASSI {  748}
   (( segid "SH3 " and resid 341  and name HN  ))
   (( segid "SH3 " and resid 342  and name HN  ))
      4.100     2.400     1.900 peak   748 weight  0.10000E+01 volume  0.48559E-03 ppm1      9.710 ppm2      8.130 CV     1
 ASSI {  456}
   (( segid "SH3 " and resid 341  and name HN  ))
   (( segid "SH3 " and resid 351  and name HZ3 ))
      4.000     2.400     2.000 peak   456 weight  0.10000E+01 volume  0.48853E-03 ppm1      9.710 ppm2      6.860 CV     1
 ASSI {  461}
   (( segid "SH3 " and resid 341  and name HN  ))
   (( segid "SH3 " and resid 340  and name HA  ))
      2.100     1.000     1.000 peak   461 weight  0.10000E+01 volume  0.81129E-02 ppm1      9.710 ppm2      5.080 CV     1
 ASSI {  459}
   (( segid "SH3 " and resid 341  and name HN  ))
   (( segid "SH3 " and resid 340  and name HE3 ))
      2.600     1.700     1.700 peak   459 weight  0.10000E+01 volume  0.15402E-02 ppm1      9.710 ppm2      7.420 CV     1
 ASSI {  460}
   (( segid "SH3 " and resid 341  and name HN  ))
   (( segid "SH3 " and resid 351  and name HA  ))
      4.000     2.100     2.000 peak   460 weight  0.10000E+01 volume  0.80438E-03 ppm1      9.710 ppm2      5.460 CV     1
 ASSI {  466}
   (( segid "SH3 " and resid 341  and name HN  ))
   (( segid "SH3 " and resid 341  and name HB1 ))
      3.500     1.700     1.700 peak   466 weight  0.10000E+01 volume  0.14813E-02 ppm1      9.710 ppm2      2.400 CV     1
 ASSI {  465}
   (( segid "SH3 " and resid 341  and name HN  ))
   (( segid "SH3 " and resid 340  and name HB2 ))
      4.000     1.800     1.800 peak   465 weight  0.10000E+01 volume  0.11478E-02 ppm1      9.710 ppm2      2.540 CV     1
 ASSI {  464}
   (( segid "SH3 " and resid 341  and name HN  ))
   (( segid "SH3 " and resid 351  and name HB1 ))
      4.500     2.400     1.500 peak   464 weight  0.10000E+01 volume  0.47381E-03 ppm1      9.700 ppm2      3.220 CV     1
 ASSI {  458}
   (( segid "SH3 " and resid 341  and name HN  ))
   (( segid "SH3 " and resid 351  and name HE3 ))
      3.000     1.700     1.700 peak   458 weight  0.10000E+01 volume  0.15696E-02 ppm1      9.710 ppm2      7.330 CV     1
 ASSI {  463}
   (( segid "SH3 " and resid 341  and name HN  ))
   (( segid "SH3 " and resid 340  and name HB1 ))
      2.700     1.500     1.500 peak   463 weight  0.10000E+01 volume  0.24132E-02 ppm1      9.710 ppm2      3.450 CV     1
 ASSI {  818}
   (( segid "SH3 " and resid 341  and name HN  ))
   (( segid "SH3 " and resid 353  and name HA  ))
      3.200     1.700     1.700 peak   818 weight  0.10000E+01 volume  0.14323E-02 ppm1      9.710 ppm2      3.540 CV     1
 ASSI {  454}
   (( segid "SH3 " and resid 341  and name HN  ))
   (( segid "SH3 " and resid 340  and name HN  ))
      3.700     1.700     1.700 peak   454 weight  0.10000E+01 volume  0.15402E-02 ppm1      9.710 ppm2      8.350 CV     1
 ASSI {  749}
   (( segid "SH3 " and resid 341  and name HN  ))
   (( segid "SH3 " and resid 335  and name HN  ))
      4.300     2.500     1.700 peak   749 weight  0.10000E+01 volume  0.45518E-03 ppm1      9.710 ppm2      8.910 CV     1
 ASSI {  469}
   (( segid "SH3 " and resid 341  and name HN  ))
   (  segid "SH3 " and resid 352  and name HG2%)
      3.500     2.000     2.000 peak   469 weight  0.10000E+01 volume  0.85640E-03 ppm1      9.700 ppm2      0.580 CV     1
 ASSI {  750}
   (( segid "SH3 " and resid 341  and name HN  ))
   (( segid "SH3 " and resid 354  and name HA  ))
      3.700     2.100     2.100 peak   750 weight  0.10000E+01 volume  0.75632E-03 ppm1      9.710 ppm2      3.980 CV     1
 ASSI {  952}
   (( segid "SH3 " and resid 323  and name HN  ))
   (  segid "SH3 " and resid 323  and name HG2%)
      3.300     1.400     1.400 peak   952 weight  0.10000E+01 volume  0.25015E-02 ppm1      9.010 ppm2      0.850 CV     1
 OR {  952}
   (( segid "SH3 " and resid 323  and name HN  ))
   (  segid "SH3 " and resid 323  and name HD1%)
 ASSI {  216}
   (( segid "SH3 " and resid 323  and name HN  ))
   (( segid "SH3 " and resid 322  and name HN  ))
      4.500     2.400     1.500 peak   216 weight  0.10000E+01 volume  0.48461E-03 ppm1      9.010 ppm2      8.160 CV     1
 ASSI {  221}
   (( segid "SH3 " and resid 323  and name HN  ))
   (( segid "SH3 " and resid 313  and name HB2 ))
      3.300     2.000     2.000 peak   221 weight  0.10000E+01 volume  0.81027E-03 ppm1      9.010 ppm2      3.180 CV     1
 ASSI {  219}
   (( segid "SH3 " and resid 323  and name HN  ))
   (( segid "SH3 " and resid 314  and name HA  ))
      3.100     1.500     1.500 peak   219 weight  0.10000E+01 volume  0.23838E-02 ppm1      9.010 ppm2      4.030 CV     1
 ASSI {  218}
   (( segid "SH3 " and resid 323  and name HN  ))
   (( segid "SH3 " and resid 322  and name HA  ))
      1.900     0.900     0.900 peak   218 weight  0.10000E+01 volume  0.11772E-01 ppm1      9.010 ppm2      5.050 CV     1
 ASSI {  220}
   (( segid "SH3 " and resid 323  and name HN  ))
   (( segid "SH3 " and resid 313  and name HB1 ))
      4.400     1.800     1.600 peak   220 weight  0.10000E+01 volume  0.13145E-02 ppm1      9.010 ppm2      3.030 CV     1
 ASSI {  217}
   (( segid "SH3 " and resid 323  and name HN  ))
   (  segid "SH3 " and resid 313  and name HD% )
      3.400     1.900     1.900 peak   217 weight  0.10000E+01 volume  0.97709E-03 ppm1      9.010 ppm2      7.380 CV     1
 ASSI {  956}
   (( segid "SH3 " and resid 305  and name HN  ))
   (( segid "SH3 " and resid 306  and name HN  ))
      2.800     1.700     1.700 peak   956 weight  0.10000E+01 volume  0.15892E-02 ppm1      8.510 ppm2      7.650 CV     1
 ASSI {   23}
   (( segid "SH3 " and resid 305  and name HN  ))
   (( segid "SH3 " and resid 304  and name HG2 ))
      3.500     2.000     2.000 peak    23 weight  0.10000E+01 volume  0.84955E-03 ppm1      8.500 ppm2      1.980 CV     1
 OR {   23}
   (( segid "SH3 " and resid 305  and name HN  ))
   (( segid "SH3 " and resid 304  and name HG1 ))
 ASSI {  897}
   (( segid "SH3 " and resid 305  and name HN  ))
   (( segid "SH3 " and resid 305  and name HA  ))
      3.000     1.600     1.600 peak   897 weight  0.10000E+01 volume  0.16971E-02 ppm1      8.500 ppm2      4.910 CV     1
 ASSI {   21}
   (( segid "SH3 " and resid 305  and name HN  ))
   (( segid "SH3 " and resid 305  and name HB1 ))
      4.300     2.200     1.700 peak    21 weight  0.10000E+01 volume  0.65924E-03 ppm1      8.500 ppm2      3.090 CV     1
 ASSI {   20}
   (( segid "SH3 " and resid 305  and name HN  ))
   (( segid "SH3 " and resid 304  and name HA  ))
      3.200     1.700     1.700 peak    20 weight  0.10000E+01 volume  0.14126E-02 ppm1      8.510 ppm2      4.490 CV     1
 ASSI {   22}
   (( segid "SH3 " and resid 305  and name HN  ))
   (( segid "SH3 " and resid 305  and name HB2 ))
      3.200     2.000     2.000 peak    22 weight  0.10000E+01 volume  0.87995E-03 ppm1      8.510 ppm2      2.930 CV     1
 ASSI {  215}
   (( segid "SH3 " and resid 345  and name HN  ))
   (( segid "SH3 " and resid 344  and name HN  ))
      3.800     1.900     1.900 peak   215 weight  0.10000E+01 volume  0.96724E-03 ppm1      9.070 ppm2      8.750 CV     1
 ASSI {  529}
   (( segid "SH3 " and resid 345  and name HN  ))
   (( segid "SH3 " and resid 344  and name HB1 ))
      4.000     1.900     1.900 peak   529 weight  0.10000E+01 volume  0.95942E-03 ppm1      9.070 ppm2      1.960 CV     1
 ASSI {  519}
   (( segid "SH3 " and resid 345  and name HN  ))
   (( segid "SH3 " and resid 347  and name HN  ))
      3.700     2.000     2.000 peak   519 weight  0.10000E+01 volume  0.93095E-03 ppm1      9.070 ppm2      8.240 CV     1
 ASSI {  528}
   (( segid "SH3 " and resid 345  and name HN  ))
   (( segid "SH3 " and resid 344  and name HB2 ))
      4.100     1.800     1.800 peak   528 weight  0.10000E+01 volume  0.13047E-02 ppm1      9.070 ppm2      1.790 CV     1
 ASSI {  523}
   (( segid "SH3 " and resid 345  and name HN  ))
   (( segid "SH3 " and resid 345  and name HA  ))
      2.700     1.300     1.300 peak   523 weight  0.10000E+01 volume  0.31882E-02 ppm1      9.070 ppm2      4.930 CV     1
 ASSI {  521}
   (( segid "SH3 " and resid 345  and name HN  ))
   (( segid "SH3 " and resid 349  and name HA  ))
      3.500     1.600     1.600 peak   521 weight  0.10000E+01 volume  0.19031E-02 ppm1      9.070 ppm2      5.610 CV     1
 ASSI {  522}
   (( segid "SH3 " and resid 345  and name HN  ))
   (( segid "SH3 " and resid 344  and name HA  ))
      1.900     0.900     0.900 peak   522 weight  0.10000E+01 volume  0.12851E-01 ppm1      9.070 ppm2      5.190 CV     1
 ASSI {  527}
   (( segid "SH3 " and resid 345  and name HN  ))
   (  segid "SH3 " and resid 345  and name HG2%)
      2.700     1.400     1.400 peak   527 weight  0.10000E+01 volume  0.30411E-02 ppm1      9.070 ppm2      1.220 CV     1
 ASSI {  530}
   (( segid "SH3 " and resid 345  and name HN  ))
   (( segid "SH3 " and resid 344  and name HG2 ))
      2.900     1.700     1.700 peak   530 weight  0.10000E+01 volume  0.15009E-02 ppm1      9.070 ppm2      2.240 CV     1
 ASSI {  510}
   (( segid "SH3 " and resid 344  and name HN  ))
   (( segid "SH3 " and resid 329  and name HA  ))
      4.400     2.100     1.600 peak   510 weight  0.10000E+01 volume  0.72983E-03 ppm1      8.800 ppm2      4.910 CV     1
 ASSI {  512}
   (( segid "SH3 " and resid 344  and name HN  ))
   (( segid "SH3 " and resid 344  and name HG2 ))
      4.200     2.100     1.800 peak   512 weight  0.10000E+01 volume  0.71907E-03 ppm1      8.800 ppm2      2.210 CV     1
 ASSI {  514}
   (( segid "SH3 " and resid 344  and name HN  ))
   (( segid "SH3 " and resid 344  and name HB2 ))
      2.900     1.400     1.400 peak   514 weight  0.10000E+01 volume  0.25407E-02 ppm1      8.800 ppm2      1.760 CV     1
 ASSI {  827}
   (( segid "SH3 " and resid 344  and name HN  ))
   (  segid "SH3 " and resid 343  and name HB% )
      2.500     1.200     1.200 peak   827 weight  0.10000E+01 volume  0.50030E-02 ppm1      8.800 ppm2      1.080 CV     1
 ASSI {  513}
   (( segid "SH3 " and resid 344  and name HN  ))
   (( segid "SH3 " and resid 344  and name HB1 ))
      2.600     1.400     1.400 peak   513 weight  0.10000E+01 volume  0.26781E-02 ppm1      8.800 ppm2      1.960 CV     1
 ASSI {  822}
   (( segid "SH3 " and resid 344  and name HN  ))
   (( segid "SH3 " and resid 330  and name HB2 ))
      3.000     1.600     1.600 peak   822 weight  0.10000E+01 volume  0.19228E-02 ppm1      8.800 ppm2      1.650 CV     1
 OR {  822}
   (( segid "SH3 " and resid 344  and name HN  ))
   (( segid "SH3 " and resid 330  and name HB1 ))
 ASSI {  515}
   (( segid "SH3 " and resid 344  and name HN  ))
   (( segid "SH3 " and resid 329  and name HB2 ))
      3.400     1.700     1.700 peak   515 weight  0.10000E+01 volume  0.13537E-02 ppm1      8.790 ppm2      1.270 CV     1
 ASSI {  826}
   (( segid "SH3 " and resid 344  and name HN  ))
   (  segid "SH3 " and resid 332  and name HD1%)
      3.700     1.800     1.800 peak   826 weight  0.10000E+01 volume  0.13342E-02 ppm1      8.800 ppm2      0.620 CV     1
 ASSI {  126}
   (( segid "SH3 " and resid 312  and name HN  ))
   (( segid "SH3 " and resid 325  and name HD1 ))
      4.700     2.300     1.300 peak   126 weight  0.10000E+01 volume  0.58661E-03 ppm1      8.200 ppm2      1.150 CV     1
 OR {  126}
   (( segid "SH3 " and resid 312  and name HN  ))
   (( segid "SH3 " and resid 325  and name HD2 ))
 ASSI {  511}
   (( segid "SH3 " and resid 344  and name HN  ))
   (( segid "SH3 " and resid 331  and name HA  ))
      3.600     1.800     1.800 peak   511 weight  0.10000E+01 volume  0.12556E-02 ppm1      8.800 ppm2      3.950 CV     1
 ASSI {  116}
   (( segid "SH3 " and resid 312  and name HN  ))
   (  segid "SH3 " and resid 311  and name HD% )
      4.000     1.800     1.800 peak   116 weight  0.10000E+01 volume  0.12655E-02 ppm1      8.190 ppm2      6.590 CV     1
 ASSI {  112}
   (( segid "SH3 " and resid 312  and name HN  ))
   (( segid "SH3 " and resid 325  and name HN  ))
      3.800     1.700     1.700 peak   112 weight  0.10000E+01 volume  0.14323E-02 ppm1      8.190 ppm2      8.920 CV     1
 ASSI {  781}
   (( segid "SH3 " and resid 312  and name HN  ))
   (( segid "SH3 " and resid 311  and name HB1 ))
      2.300     1.200     1.200 peak   781 weight  0.10000E+01 volume  0.50226E-02 ppm1      8.190 ppm2      3.130 CV     1
 ASSI {  780}
   (( segid "SH3 " and resid 312  and name HN  ))
   (( segid "SH3 " and resid 325  and name HG2 ))
      3.900     1.600     1.600 peak   780 weight  0.10000E+01 volume  0.17559E-02 ppm1      8.190 ppm2      1.530 CV     1
 OR {  780}
   (( segid "SH3 " and resid 312  and name HN  ))
   (( segid "SH3 " and resid 325  and name HG1 ))
 ASSI {  118}
   (( segid "SH3 " and resid 312  and name HN  ))
   (( segid "SH3 " and resid 312  and name HA  ))
      2.600     1.400     1.400 peak   118 weight  0.10000E+01 volume  0.29822E-02 ppm1      8.210 ppm2      4.900 CV     1
 ASSI {  823}
   (( segid "SH3 " and resid 344  and name HN  ))
   (( segid "SH3 " and resid 329  and name HB1 ))
      3.200     1.900     1.900 peak   823 weight  0.10000E+01 volume  0.10889E-02 ppm1      8.790 ppm2      1.560 CV     1
 ASSI {  121}
   (( segid "SH3 " and resid 312  and name HN  ))
   (( segid "SH3 " and resid 312  and name HB1 ))
      2.600     1.300     1.300 peak   121 weight  0.10000E+01 volume  0.36493E-02 ppm1      8.190 ppm2      2.720 CV     1
 ASSI {  122}
   (( segid "SH3 " and resid 312  and name HN  ))
   (( segid "SH3 " and resid 312  and name HB2 ))
      2.700     1.200     1.200 peak   122 weight  0.10000E+01 volume  0.52286E-02 ppm1      8.190 ppm2      2.620 CV     1
 ASSI {  123}
   (( segid "SH3 " and resid 312  and name HN  ))
   (( segid "SH3 " and resid 311  and name HB2 ))
      3.100     1.500     1.500 peak   123 weight  0.10000E+01 volume  0.23053E-02 ppm1      8.190 ppm2      2.200 CV     1
 ASSI {  124}
   (( segid "SH3 " and resid 312  and name HN  ))
   (( segid "SH3 " and resid 325  and name HB1 ))
      2.800     1.700     1.700 peak   124 weight  0.10000E+01 volume  0.15696E-02 ppm1      8.190 ppm2      1.670 CV     1
 OR {  124}
   (( segid "SH3 " and resid 312  and name HN  ))
   (( segid "SH3 " and resid 325  and name HB2 ))
 ASSI {  115}
   (( segid "SH3 " and resid 312  and name HN  ))
   (( segid "SH3 " and resid 311  and name HN  ))
      4.000     2.000     2.000 peak   115 weight  0.10000E+01 volume  0.87797E-03 ppm1      8.190 ppm2      6.970 CV     1
 ASSI {   44}
   (( segid "SH3 " and resid 308  and name HN  ))
   (( segid "SH3 " and resid 360  and name HN  ))
      4.200     2.200     1.800 peak    44 weight  0.10000E+01 volume  0.63864E-03 ppm1      9.430 ppm2      7.970 CV     1
 ASSI {   43}
   (( segid "SH3 " and resid 308  and name HN  ))
   (( segid "SH3 " and resid 309  and name HN  ))
      4.300     2.500     1.700 peak    43 weight  0.10000E+01 volume  0.43065E-03 ppm1      9.430 ppm2      8.370 CV     1
 ASSI {  959}
   (( segid "SH3 " and resid 308  and name HN  ))
   (( segid "SH3 " and resid 308  and name HB  ))
      2.900     1.400     1.400 peak   959 weight  0.10000E+01 volume  0.27075E-02 ppm1      9.430 ppm2      1.710 CV     1
 ASSI {   48}
   (( segid "SH3 " and resid 308  and name HN  ))
   (( segid "SH3 " and resid 360  and name HA  ))
      4.200     2.400     1.800 peak    48 weight  0.10000E+01 volume  0.49540E-03 ppm1      9.440 ppm2      3.930 CV     1
 ASSI {   47}
   (( segid "SH3 " and resid 308  and name HN  ))
   (( segid "SH3 " and resid 307  and name HA  ))
      2.100     1.000     1.000 peak    47 weight  0.10000E+01 volume  0.81717E-02 ppm1      9.430 ppm2      5.220 CV     1
 ASSI {   54}
   (( segid "SH3 " and resid 308  and name HN  ))
   (  segid "SH3 " and resid 308  and name HG1%)
      2.400     1.100     1.100 peak    54 weight  0.10000E+01 volume  0.56895E-02 ppm1      9.430 ppm2      0.780 CV     1
 ASSI {   45}
   (( segid "SH3 " and resid 308  and name HN  ))
   (  segid "SH3 " and resid 307  and name HD% )
      4.000     2.000     2.000 peak    45 weight  0.10000E+01 volume  0.94663E-03 ppm1      9.440 ppm2      6.920 CV     1
 ASSI {   46}
   (( segid "SH3 " and resid 308  and name HN  ))
   (( segid "SH3 " and resid 357  and name HA  ))
      4.300     2.200     1.700 peak    46 weight  0.10000E+01 volume  0.60133E-03 ppm1      9.440 ppm2      5.430 CV     1
 ASSI {   50}
   (( segid "SH3 " and resid 308  and name HN  ))
   (( segid "SH3 " and resid 307  and name HB1 ))
      2.400     1.200     1.200 peak    50 weight  0.10000E+01 volume  0.42281E-02 ppm1      9.440 ppm2      2.690 CV     1
 OR {   50}
   (( segid "SH3 " and resid 308  and name HN  ))
   (( segid "SH3 " and resid 307  and name HB2 ))
 ASSI {   49}
   (( segid "SH3 " and resid 308  and name HN  ))
   (( segid "SH3 " and resid 359  and name HD1 ))
      3.700     1.900     1.900 peak    49 weight  0.10000E+01 volume  0.11281E-02 ppm1      9.430 ppm2      3.730 CV     1
 OR {   49}
   (( segid "SH3 " and resid 308  and name HN  ))
   (( segid "SH3 " and resid 359  and name HD2 ))
 ASSI {   55}
   (( segid "SH3 " and resid 308  and name HN  ))
   (  segid "SH3 " and resid 357  and name HG2%)
      3.900     1.800     1.800 peak    55 weight  0.10000E+01 volume  0.11380E-02 ppm1      9.430 ppm2      0.630 CV     1
 ASSI {   53}
   (( segid "SH3 " and resid 308  and name HN  ))
   (  segid "SH3 " and resid 358  and name HG2%)
      3.500     1.600     1.600 peak    53 weight  0.10000E+01 volume  0.16677E-02 ppm1      9.430 ppm2      1.090 CV     1
 ASSI {  344}
   (( segid "SH3 " and resid 334  and name HN  ))
   (  segid "SH3 " and resid 334  and name HE% )
      4.900     2.300     1.100 peak   344 weight  0.10000E+01 volume  0.53267E-03 ppm1      8.730 ppm2      6.710 CV     1
 ASSI {  348}
   (( segid "SH3 " and resid 334  and name HN  ))
   (( segid "SH3 " and resid 334  and name HB2 ))
      2.500     1.300     1.300 peak   348 weight  0.10000E+01 volume  0.39338E-02 ppm1      8.730 ppm2      2.960 CV     1
 ASSI {  345}
   (( segid "SH3 " and resid 334  and name HN  ))
   (( segid "SH3 " and resid 333  and name HA1 ))
      2.900     1.100     1.100 peak   345 weight  0.10000E+01 volume  0.62488E-02 ppm1      8.730 ppm2      4.260 CV     1
 ASSI {  347}
   (( segid "SH3 " and resid 334  and name HN  ))
   (( segid "SH3 " and resid 334  and name HB1 ))
      3.700     1.600     1.600 peak   347 weight  0.10000E+01 volume  0.20012E-02 ppm1      8.730 ppm2      3.280 CV     1
 ASSI {  343}
   (( segid "SH3 " and resid 334  and name HN  ))
   (  segid "SH3 " and resid 334  and name HD% )
      2.900     1.400     1.400 peak   343 weight  0.10000E+01 volume  0.31097E-02 ppm1      8.730 ppm2      7.090 CV     1
 ASSI {  346}
   (( segid "SH3 " and resid 334  and name HN  ))
   (( segid "SH3 " and resid 333  and name HA2 ))
      2.200     1.100     1.100 peak   346 weight  0.10000E+01 volume  0.66513E-02 ppm1      8.730 ppm2      3.910 CV     1
 ASSI {  349}
   (( segid "SH3 " and resid 358  and name HN  ))
   (( segid "SH3 " and resid 309  and name HA  ))
      3.500     1.700     1.700 peak   349 weight  0.10000E+01 volume  0.14617E-02 ppm1      8.730 ppm2      4.710 CV     1
 ASSI {  534}
   (( segid "SH3 " and resid 347  and name HD22))
   (( segid "SH3 " and resid 347  and name HN  ))
      4.800     2.400     1.200 peak   534 weight  0.10000E+01 volume  0.51894E-03 ppm1      6.910 ppm2      8.240 CV     1
 ASSI {  634}
   (( segid "SH3 " and resid 352  and name HN  ))
   (( segid "SH3 " and resid 342  and name HA  ))
      3.100     1.600     1.600 peak   634 weight  0.10000E+01 volume  0.17069E-02 ppm1      9.720 ppm2      3.430 CV     1
 ASSI {  536}
   (( segid "SH3 " and resid 347  and name HD21))
   (( segid "SH3 " and resid 347  and name HN  ))
      4.200     2.300     1.800 peak   536 weight  0.10000E+01 volume  0.59448E-03 ppm1      8.040 ppm2      8.230 CV     1
 ASSI {  350}
   (( segid "SH3 " and resid 358  and name HN  ))
   (  segid "SH3 " and resid 357  and name HD1%)
      3.900     2.100     2.100 peak   350 weight  0.10000E+01 volume  0.75830E-03 ppm1      8.730 ppm2      0.230 CV     1
 ASSI {  632}
   (( segid "SH3 " and resid 352  and name HN  ))
   (( segid "SH3 " and resid 351  and name HE3 ))
      3.200     1.800     1.800 peak   632 weight  0.10000E+01 volume  0.11968E-02 ppm1      9.720 ppm2      7.350 CV     1
 ASSI {  633}
   (( segid "SH3 " and resid 352  and name HN  ))
   (( segid "SH3 " and resid 340  and name HE3 ))
      3.100     1.900     1.900 peak   633 weight  0.10000E+01 volume  0.98099E-03 ppm1      9.720 ppm2      7.430 CV     1
 ASSI {  353}
   (( segid "SH3 " and resid 358  and name HN  ))
   (  segid "SH3 " and resid 307  and name HD% )
      3.300     1.800     1.800 peak   353 weight  0.10000E+01 volume  0.13047E-02 ppm1      8.730 ppm2      6.940 CV     1
 ASSI {  537}
   (( segid "SH3 " and resid 347  and name HD21))
   (( segid "SH3 " and resid 347  and name HB1 ))
      3.000     1.700     1.700 peak   537 weight  0.10000E+01 volume  0.15794E-02 ppm1      8.020 ppm2      2.900 CV     1
 ASSI {  630}
   (( segid "SH3 " and resid 352  and name HN  ))
   (( segid "SH3 " and resid 351  and name HA  ))
      2.100     1.000     1.000 peak   630 weight  0.10000E+01 volume  0.72983E-02 ppm1      9.720 ppm2      5.450 CV     1
 ASSI {  628}
   (( segid "SH3 " and resid 352  and name HN  ))
   (( segid "SH3 " and resid 352  and name HA  ))
      2.800     1.800     1.800 peak   628 weight  0.10000E+01 volume  0.12753E-02 ppm1      9.720 ppm2      4.790 CV     1
 ASSI {  624}
   (( segid "SH3 " and resid 352  and name HN  ))
   (( segid "SH3 " and resid 352  and name HB  ))
      3.800     2.100     2.100 peak   624 weight  0.10000E+01 volume  0.76221E-03 ppm1      9.720 ppm2      1.700 CV     1
 ASSI {  627}
   (( segid "SH3 " and resid 352  and name HN  ))
   (( segid "SH3 " and resid 351  and name HB1 ))
      3.400     1.700     1.700 peak   627 weight  0.10000E+01 volume  0.14126E-02 ppm1      9.720 ppm2      3.200 CV     1
 ASSI {  626}
   (( segid "SH3 " and resid 352  and name HN  ))
   (( segid "SH3 " and resid 351  and name HB2 ))
      4.300     2.100     1.700 peak   626 weight  0.10000E+01 volume  0.72394E-03 ppm1      9.720 ppm2      2.850 CV     1
 ASSI {  703}
   (( segid "SH3 " and resid 358  and name HN  ))
   (( segid "SH3 " and resid 357  and name HN  ))
      4.200     2.200     1.800 peak   703 weight  0.10000E+01 volume  0.64254E-03 ppm1      8.730 ppm2      7.330 CV     1
 ASSI {  539}
   (( segid "SH3 " and resid 347  and name HD22))
   (( segid "SH3 " and resid 347  and name HB2 ))
      3.900     1.600     1.600 peak   539 weight  0.10000E+01 volume  0.16578E-02 ppm1      6.910 ppm2      2.620 CV     1
 ASSI {  540}
   (( segid "SH3 " and resid 347  and name HD21))
   (( segid "SH3 " and resid 347  and name HB2 ))
      2.800     1.400     1.400 peak   540 weight  0.10000E+01 volume  0.27075E-02 ppm1      8.020 ppm2      2.620 CV     1
 ASSI {  696}
   (( segid "SH3 " and resid 358  and name HN  ))
   (  segid "SH3 " and resid 308  and name HG1%)
      3.200     1.700     1.700 peak   696 weight  0.10000E+01 volume  0.16383E-02 ppm1      8.740 ppm2      0.770 CV     1
 ASSI {  700}
   (( segid "SH3 " and resid 358  and name HN  ))
   (( segid "SH3 " and resid 307  and name HB1 ))
      3.100     1.700     1.700 peak   700 weight  0.10000E+01 volume  0.16285E-02 ppm1      8.730 ppm2      2.700 CV     1
 OR {  700}
   (( segid "SH3 " and resid 358  and name HN  ))
   (( segid "SH3 " and resid 307  and name HB2 ))
 ASSI {  702}
   (( segid "SH3 " and resid 358  and name HN  ))
   (( segid "SH3 " and resid 357  and name HA  ))
      2.100     1.000     1.000 peak   702 weight  0.10000E+01 volume  0.76028E-02 ppm1      8.730 ppm2      5.430 CV     1
 ASSI {  699}
   (( segid "SH3 " and resid 358  and name HN  ))
   (( segid "SH3 " and resid 357  and name HB  ))
      2.400     1.200     1.200 peak   699 weight  0.10000E+01 volume  0.41495E-02 ppm1      8.730 ppm2      1.720 CV     1
 ASSI {  695}
   (( segid "SH3 " and resid 358  and name HN  ))
   (  segid "SH3 " and resid 357  and name HG2%)
      3.600     1.400     1.400 peak   695 weight  0.10000E+01 volume  0.27075E-02 ppm1      8.730 ppm2      0.640 CV     1
 ASSI {  697}
   (( segid "SH3 " and resid 358  and name HN  ))
   (  segid "SH3 " and resid 358  and name HG2%)
      2.400     1.100     1.100 peak   697 weight  0.10000E+01 volume  0.57976E-02 ppm1      8.730 ppm2      1.090 CV     1
 ASSI {  701}
   (( segid "SH3 " and resid 358  and name HN  ))
   (( segid "SH3 " and resid 358  and name HA  ))
      2.700     1.500     1.500 peak   701 weight  0.10000E+01 volume  0.24132E-02 ppm1      8.730 ppm2      5.260 CV     1
 ASSI {  629}
   (( segid "SH3 " and resid 352  and name HN  ))
   (( segid "SH3 " and resid 340  and name HA  ))
      4.600     2.200     1.400 peak   629 weight  0.10000E+01 volume  0.67396E-03 ppm1      9.720 ppm2      5.100 CV     1
 ASSI {  694}
   (( segid "SH3 " and resid 358  and name HN  ))
   (( segid "SH3 " and resid 308  and name HN  ))
      2.500     1.300     1.300 peak   694 weight  0.10000E+01 volume  0.39632E-02 ppm1      8.730 ppm2     -0.560 CV     1
 ASSI {  885}
   (( segid "SH3 " and resid 316  and name HN  ))
   (  segid "SH3 " and resid 315  and name HB% )
      3.500     2.000     2.000 peak   885 weight  0.10000E+01 volume  0.88091E-03 ppm1      7.990 ppm2      1.290 CV     1
 ASSI {  884}
   (( segid "SH3 " and resid 316  and name HN  ))
   (( segid "SH3 " and resid 315  and name HA  ))
      2.800     1.600     1.600 peak   884 weight  0.10000E+01 volume  0.19228E-02 ppm1      7.990 ppm2      3.780 CV     1
 ASSI {  788}
   (( segid "SH3 " and resid 319  and name HN  ))
   (( segid "SH3 " and resid 318  and name HB1 ))
      3.200     2.600     2.600 peak   788 weight  0.10000E+01 volume  0.37376E-03 ppm1      8.620 ppm2      2.660 CV     1
 ASSI {  177}
   (( segid "SH3 " and resid 319  and name HN  ))
   (( segid "SH3 " and resid 319  and name HB2 ))
      2.900     2.400     2.400 peak   177 weight  0.10000E+01 volume  0.46106E-03 ppm1      8.610 ppm2      3.010 CV     1
 ASSI {  176}
   (( segid "SH3 " and resid 319  and name HN  ))
   (( segid "SH3 " and resid 319  and name HB1 ))
      4.100     2.300     1.900 peak   176 weight  0.10000E+01 volume  0.59250E-03 ppm1      8.600 ppm2      3.240 CV     1
 ASSI {  175}
   (( segid "SH3 " and resid 319  and name HN  ))
   (( segid "SH3 " and resid 318  and name HA  ))
      3.300     1.800     1.800 peak   175 weight  0.10000E+01 volume  0.12556E-02 ppm1      8.600 ppm2      4.450 CV     1
 ASSI {  961}
   (( segid "SH3 " and resid 326  and name HN  ))
   (( segid "SH3 " and resid 325  and name HB2 ))
      3.100     1.700     1.700 peak   961 weight  0.10000E+01 volume  0.15990E-02 ppm1      8.950 ppm2      1.660 CV     1
 OR {  961}
   (( segid "SH3 " and resid 326  and name HN  ))
   (( segid "SH3 " and resid 325  and name HB1 ))
 ASSI {  256}
   (( segid "SH3 " and resid 326  and name HN  ))
   (( segid "SH3 " and resid 325  and name HA  ))
      2.000     0.900     0.900 peak   256 weight  0.10000E+01 volume  0.11674E-01 ppm1      8.950 ppm2      3.280 CV     1
 ASSI {  255}
   (( segid "SH3 " and resid 326  and name HN  ))
   (( segid "SH3 " and resid 326  and name HA2 ))
      2.300     1.100     1.100 peak   255 weight  0.10000E+01 volume  0.59352E-02 ppm1      8.950 ppm2      3.440 CV     1
 ASSI {  251}
   (( segid "SH3 " and resid 326  and name HN  ))
   (( segid "SH3 " and resid 309  and name HN  ))
      3.500     2.000     2.000 peak   251 weight  0.10000E+01 volume  0.87604E-03 ppm1      8.940 ppm2      8.360 CV     1
 ASSI {  962}
   (( segid "SH3 " and resid 326  and name HN  ))
   (( segid "SH3 " and resid 325  and name HD2 ))
      3.400     1.500     1.500 peak   962 weight  0.10000E+01 volume  0.23249E-02 ppm1      8.950 ppm2      1.140 CV     1
 OR {  962}
   (( segid "SH3 " and resid 326  and name HN  ))
   (( segid "SH3 " and resid 325  and name HD1 ))
 ASSI {  260}
   (( segid "SH3 " and resid 326  and name HN  ))
   (  segid "SH3 " and resid 308  and name HG2%)
      3.400     1.600     1.600 peak   260 weight  0.10000E+01 volume  0.16480E-02 ppm1      8.950 ppm2      0.800 CV     1
 ASSI {  254}
   (( segid "SH3 " and resid 326  and name HN  ))
   (( segid "SH3 " and resid 310  and name HA  ))
      3.500     2.200     2.200 peak   254 weight  0.10000E+01 volume  0.61214E-03 ppm1      8.940 ppm2      3.900 CV     1
 ASSI {  660}
   (( segid "SH3 " and resid 355  and name HN  ))
   (( segid "SH3 " and resid 353  and name HA  ))
      4.300     2.200     1.700 peak   660 weight  0.10000E+01 volume  0.60626E-03 ppm1      8.380 ppm2      3.540 CV     1
 ASSI {  963}
   (( segid "SH3 " and resid 355  and name HN  ))
   (( segid "SH3 " and resid 353  and name HB2 ))
      3.200     1.900     1.900 peak   963 weight  0.10000E+01 volume  0.10594E-02 ppm1      8.370 ppm2      1.320 CV     1
 OR {  963}
   (( segid "SH3 " and resid 355  and name HN  ))
   (( segid "SH3 " and resid 353  and name HB1 ))
 ASSI {  647}
   (( segid "SH3 " and resid 355  and name HN  ))
   (( segid "SH3 " and resid 355  and name HA  ))
      2.700     1.300     1.300 peak   647 weight  0.10000E+01 volume  0.32373E-02 ppm1      8.380 ppm2      4.850 CV     1
 ASSI {  835}
   (( segid "SH3 " and resid 355  and name HN  ))
   (( segid "SH3 " and resid 354  and name HB2 ))
      3.600     1.900     1.900 peak   835 weight  0.10000E+01 volume  0.10594E-02 ppm1      8.370 ppm2      3.820 CV     1
 OR {  835}
   (( segid "SH3 " and resid 355  and name HN  ))
   (( segid "SH3 " and resid 354  and name HB1 ))
 ASSI {  650}
   (( segid "SH3 " and resid 355  and name HN  ))
   (( segid "SH3 " and resid 355  and name HB1 ))
      3.200     1.500     1.500 peak   650 weight  0.10000E+01 volume  0.21190E-02 ppm1      8.380 ppm2      3.080 CV     1
 ASSI {  837}
   (( segid "SH3 " and resid 355  and name HN  ))
   (( segid "SH3 " and resid 354  and name HA  ))
      3.300     1.800     1.800 peak   837 weight  0.10000E+01 volume  0.11968E-02 ppm1      8.370 ppm2      4.000 CV     1
 ASSI {  657}
   (( segid "SH3 " and resid 355  and name HN  ))
   (( segid "SH3 " and resid 357  and name HN  ))
      3.900     2.300     2.100 peak   657 weight  0.10000E+01 volume  0.53758E-03 ppm1      8.370 ppm2      7.350 CV     1
 ASSI {  651}
   (( segid "SH3 " and resid 355  and name HN  ))
   (( segid "SH3 " and resid 355  and name HB2 ))
      2.800     1.500     1.500 peak   651 weight  0.10000E+01 volume  0.22661E-02 ppm1      8.370 ppm2      2.790 CV     1
 ASSI {  966}
   (( segid "SH3 " and resid 355  and name HN  ))
   (  segid "SH3 " and resid 356  and name HD% )
      4.200     2.200     1.800 peak   966 weight  0.10000E+01 volume  0.63864E-03 ppm1      8.380 ppm2      7.020 CV     1
 ASSI {  840}
   (( segid "SH3 " and resid 355  and name HN  ))
   (( segid "SH3 " and resid 355  and name HD22))
      4.600     2.600     1.400 peak   840 weight  0.10000E+01 volume  0.36787E-03 ppm1      8.380 ppm2      6.640 CV     1
 ASSI {  365}
   (( segid "SH3 " and resid 335  and name HD21))
   (( segid "SH3 " and resid 339  and name HB2 ))
      3.300     2.300     2.300 peak   365 weight  0.10000E+01 volume  0.54739E-03 ppm1      7.830 ppm2      2.150 CV     1
 ASSI {  355}
   (( segid "SH3 " and resid 335  and name HD22))
   (( segid "SH3 " and resid 335  and name HB1 ))
      3.900     1.800     1.800 peak   355 weight  0.10000E+01 volume  0.12361E-02 ppm1      7.060 ppm2      3.290 CV     1
 ASSI {  356}
   (( segid "SH3 " and resid 335  and name HD22))
   (( segid "SH3 " and resid 340  and name HB2 ))
      3.300     1.700     1.700 peak   356 weight  0.10000E+01 volume  0.13930E-02 ppm1      7.060 ppm2      2.550 CV     1
 ASSI {  358}
   (( segid "SH3 " and resid 335  and name HD22))
   (( segid "SH3 " and resid 339  and name HG1 ))
      4.600     2.200     1.400 peak   358 weight  0.10000E+01 volume  0.66020E-03 ppm1      7.060 ppm2      2.000 CV     1
 OR {  358}
   (( segid "SH3 " and resid 335  and name HD22))
   (( segid "SH3 " and resid 339  and name HG2 ))
 ASSI {  364}
   (( segid "SH3 " and resid 335  and name HD21))
   (( segid "SH3 " and resid 340  and name HB2 ))
      2.800     1.600     1.600 peak   364 weight  0.10000E+01 volume  0.16677E-02 ppm1      7.840 ppm2      2.560 CV     1
 ASSI {  357}
   (( segid "SH3 " and resid 335  and name HD22))
   (( segid "SH3 " and resid 339  and name HB2 ))
      3.700     1.800     1.800 peak   357 weight  0.10000E+01 volume  0.12262E-02 ppm1      7.050 ppm2      2.150 CV     1
 ASSI {  839}
   (( segid "SH3 " and resid 355  and name HN  ))
   (( segid "SH3 " and resid 355  and name HD21))
      3.700     2.600     2.300 peak   839 weight  0.10000E+01 volume  0.39730E-03 ppm1      8.380 ppm2      7.520 CV     1
 ASSI {  363}
   (( segid "SH3 " and resid 335  and name HD21))
   (( segid "SH3 " and resid 335  and name HB1 ))
      2.600     1.600     1.600 peak   363 weight  0.10000E+01 volume  0.17854E-02 ppm1      7.840 ppm2      3.300 CV     1
 ASSI {  362}
   (( segid "SH3 " and resid 335  and name HD21))
   (( segid "SH3 " and resid 339  and name HN  ))
      3.700     2.300     2.300 peak   362 weight  0.10000E+01 volume  0.57093E-03 ppm1      7.850 ppm2      8.400 CV     1
 ASSI {  882}
   (( segid "SH3 " and resid 347  and name HN  ))
   (  segid "SH3 " and resid 345  and name HG2%)
      4.200     2.000     1.800 peak   882 weight  0.10000E+01 volume  0.81615E-03 ppm1      8.230 ppm2      1.220 CV     1
 ASSI {  546}
   (( segid "SH3 " and resid 347  and name HN  ))
   (( segid "SH3 " and resid 347  and name HA  ))
      2.900     1.400     1.400 peak   546 weight  0.10000E+01 volume  0.29037E-02 ppm1      8.230 ppm2      4.890 CV     1
 ASSI {  545}
   (( segid "SH3 " and resid 347  and name HN  ))
   (( segid "SH3 " and resid 348  and name HN  ))
      2.500     1.200     1.200 peak   545 weight  0.10000E+01 volume  0.44537E-02 ppm1      8.230 ppm2      7.490 CV     1
 ASSI {  550}
   (( segid "SH3 " and resid 347  and name HN  ))
   (( segid "SH3 " and resid 347  and name HB1 ))
      3.700     1.600     1.600 peak   550 weight  0.10000E+01 volume  0.16677E-02 ppm1      8.230 ppm2      2.900 CV     1
 ASSI {  552}
   (( segid "SH3 " and resid 347  and name HN  ))
   (( segid "SH3 " and resid 346  and name HB2 ))
      3.400     1.900     1.900 peak   552 weight  0.10000E+01 volume  0.10300E-02 ppm1      8.230 ppm2      1.890 CV     1
 OR {  552}
   (( segid "SH3 " and resid 347  and name HN  ))
   (( segid "SH3 " and resid 346  and name HB1 ))
 ASSI {  553}
   (( segid "SH3 " and resid 347  and name HN  ))
   (( segid "SH3 " and resid 346  and name HG2 ))
      3.700     2.200     2.200 peak   553 weight  0.10000E+01 volume  0.68766E-03 ppm1      8.230 ppm2      1.500 CV     1
 OR {  553}
   (( segid "SH3 " and resid 347  and name HN  ))
   (( segid "SH3 " and resid 346  and name HG1 ))
 ASSI {  879}
   (( segid "SH3 " and resid 347  and name HN  ))
   (  segid "SH3 " and resid 321  and name HD1%)
      4.300     2.200     1.700 peak   879 weight  0.10000E+01 volume  0.62879E-03 ppm1      8.230 ppm2      0.650 CV     1
 ASSI {  551}
   (( segid "SH3 " and resid 347  and name HN  ))
   (( segid "SH3 " and resid 347  and name HB2 ))
      2.600     1.400     1.400 peak   551 weight  0.10000E+01 volume  0.29233E-02 ppm1      8.230 ppm2      2.620 CV     1
 ASSI {  881}
   (( segid "SH3 " and resid 347  and name HN  ))
   (( segid "SH3 " and resid 346  and name HA  ))
      3.300     1.800     1.800 peak   881 weight  0.10000E+01 volume  0.12066E-02 ppm1      8.220 ppm2      4.220 CV     1
 ASSI {  810}
   (( segid "SH3 " and resid 337  and name HN  ))
   (( segid "SH3 " and resid 336  and name HA  ))
      4.000     2.500     2.000 peak   810 weight  0.10000E+01 volume  0.42967E-03 ppm1      6.570 ppm2      4.330 CV     1
 ASSI {  743}
   (( segid "SH3 " and resid 337  and name HN  ))
   (( segid "SH3 " and resid 337  and name HB2 ))
      3.300     2.300     2.300 peak   743 weight  0.10000E+01 volume  0.58956E-03 ppm1      6.560 ppm2      2.480 CV     1
 ASSI {  384}
   (( segid "SH3 " and resid 337  and name HN  ))
   (( segid "SH3 " and resid 338  and name HN  ))
      2.700     1.500     1.500 peak   384 weight  0.10000E+01 volume  0.21287E-02 ppm1      6.550 ppm2      7.620 CV     1
 ASSI {  744}
   (( segid "SH3 " and resid 337  and name HN  ))
   (( segid "SH3 " and resid 336  and name HB1 ))
      3.700     2.100     2.100 peak   744 weight  0.10000E+01 volume  0.70339E-03 ppm1      6.570 ppm2      3.180 CV     1
 OR {  744}
   (( segid "SH3 " and resid 337  and name HN  ))
   (( segid "SH3 " and resid 336  and name HB2 ))
 ASSI {  577}
   (( segid "SH3 " and resid 349  and name HE22))
   (( segid "SH3 " and resid 349  and name HG1 ))
      4.500     2.300     1.500 peak   577 weight  0.10000E+01 volume  0.56014E-03 ppm1      6.530 ppm2      1.810 CV     1
 OR {  577}
   (( segid "SH3 " and resid 349  and name HE22))
   (( segid "SH3 " and resid 349  and name HG2 ))
 ASSI {  578}
   (( segid "SH3 " and resid 349  and name HE22))
   (( segid "SH3 " and resid 349  and name HB1 ))
      3.400     1.300     1.300 peak   578 weight  0.10000E+01 volume  0.38847E-02 ppm1      6.530 ppm2      2.110 CV     1
 OR {  578}
   (( segid "SH3 " and resid 349  and name HE22))
   (( segid "SH3 " and resid 349  and name HB2 ))
 ASSI {  579}
   (( segid "SH3 " and resid 349  and name HE21))
   (( segid "SH3 " and resid 349  and name HB1 ))
      2.300     1.100     1.100 peak   579 weight  0.10000E+01 volume  0.65726E-02 ppm1      7.480 ppm2      2.110 CV     1
 OR {  579}
   (( segid "SH3 " and resid 349  and name HE21))
   (( segid "SH3 " and resid 349  and name HB2 ))
 ASSI {  970}
   (( segid "SH3 " and resid 349  and name HE21))
   (  segid "SH3 " and resid 332  and name HD2%)
      3.100     1.500     1.500 peak   970 weight  0.10000E+01 volume  0.20699E-02 ppm1      7.480 ppm2      0.530 CV     1
 ASSI {  576}
   (( segid "SH3 " and resid 349  and name HE21))
   (( segid "SH3 " and resid 349  and name HG1 ))
      3.500     2.000     2.000 peak   576 weight  0.10000E+01 volume  0.81225E-03 ppm1      7.480 ppm2      1.810 CV     1
 OR {  576}
   (( segid "SH3 " and resid 349  and name HE21))
   (( segid "SH3 " and resid 349  and name HG2 ))
 ASSI {  886}
   (( segid "SH3 " and resid 305  and name HD22))
   (( segid "SH3 " and resid 304  and name HG2 ))
      3.900     2.600     2.100 peak   886 weight  0.10000E+01 volume  0.35904E-03 ppm1      7.000 ppm2      1.990 CV     1
 ASSI {  888}
   (( segid "SH3 " and resid 305  and name HD21))
   (( segid "SH3 " and resid 305  and name HB2 ))
      2.800     1.700     1.700 peak   888 weight  0.10000E+01 volume  0.15794E-02 ppm1      7.640 ppm2      2.920 CV     1
 ASSI {  889}
   (( segid "SH3 " and resid 305  and name HD21))
   (( segid "SH3 " and resid 305  and name HB1 ))
      3.700     1.900     1.900 peak   889 weight  0.10000E+01 volume  0.96922E-03 ppm1      7.640 ppm2      3.080 CV     1
 ASSI {  974}
   (( segid "SH3 " and resid 319  and name HD21))
   (( segid "SH3 " and resid 318  and name HB1 ))
      4.000     2.100     2.000 peak   974 weight  0.10000E+01 volume  0.76617E-03 ppm1      7.550 ppm2      2.700 CV     1
 ASSI {  169}
   (( segid "SH3 " and resid 319  and name HD21))
   (( segid "SH3 " and resid 319  and name HB1 ))
      3.400     1.900     1.900 peak   169 weight  0.10000E+01 volume  0.99078E-03 ppm1      7.560 ppm2      3.240 CV     1
 ASSI {  103}
   (( segid "SH3 " and resid 311  and name HN  ))
   (( segid "SH3 " and resid 325  and name HB2 ))
      4.100     2.300     1.900 peak   103 weight  0.10000E+01 volume  0.54641E-03 ppm1      6.960 ppm2      1.680 CV     1
 OR {  103}
   (( segid "SH3 " and resid 311  and name HN  ))
   (( segid "SH3 " and resid 325  and name HB1 ))
 ASSI {  603}
   (( segid "SH3 " and resid 350  and name HN  ))
   (( segid "SH3 " and resid 342  and name HA  ))
      3.900     2.300     2.100 peak   603 weight  0.10000E+01 volume  0.58367E-03 ppm1      8.700 ppm2      3.430 CV     1
 ASSI {  831}
   (( segid "SH3 " and resid 350  and name HN  ))
   (( segid "SH3 " and resid 350  and name HA2 ))
      2.800     1.400     1.400 peak   831 weight  0.10000E+01 volume  0.26781E-02 ppm1      8.700 ppm2      4.020 CV     1
 ASSI {  601}
   (( segid "SH3 " and resid 350  and name HN  ))
   (( segid "SH3 " and resid 349  and name HG1 ))
      3.900     1.800     1.800 peak   601 weight  0.10000E+01 volume  0.12164E-02 ppm1      8.700 ppm2      1.800 CV     1
 OR {  601}
   (( segid "SH3 " and resid 350  and name HN  ))
   (( segid "SH3 " and resid 349  and name HG2 ))
 ASSI {  606}
   (( segid "SH3 " and resid 350  and name HN  ))
   (( segid "SH3 " and resid 344  and name HA  ))
      3.600     1.600     1.600 peak   606 weight  0.10000E+01 volume  0.16775E-02 ppm1      8.700 ppm2      5.190 CV     1
 ASSI {  608}
   (( segid "SH3 " and resid 350  and name HN  ))
   (( segid "SH3 " and resid 349  and name HA  ))
      2.100     1.000     1.000 peak   608 weight  0.10000E+01 volume  0.91233E-02 ppm1      8.700 ppm2      5.600 CV     1
 ASSI {  598}
   (( segid "SH3 " and resid 350  and name HN  ))
   (( segid "SH3 " and resid 342  and name HG1 ))
      3.300     1.900     1.900 peak   598 weight  0.10000E+01 volume  0.11183E-02 ppm1      8.700 ppm2      1.080 CV     1
 ASSI {  602}
   (( segid "SH3 " and resid 350  and name HN  ))
   (( segid "SH3 " and resid 349  and name HB2 ))
      2.600     1.200     1.200 peak   602 weight  0.10000E+01 volume  0.40907E-02 ppm1      8.700 ppm2      2.100 CV     1
 OR {  602}
   (( segid "SH3 " and resid 350  and name HN  ))
   (( segid "SH3 " and resid 349  and name HB1 ))
 ASSI {  832}
   (( segid "SH3 " and resid 350  and name HN  ))
   (( segid "SH3 " and resid 350  and name HA1 ))
      2.600     1.400     1.400 peak   832 weight  0.10000E+01 volume  0.28841E-02 ppm1      8.700 ppm2      4.130 CV     1
 ASSI {  599}
   (( segid "SH3 " and resid 350  and name HN  ))
   (( segid "SH3 " and resid 342  and name HB1 ))
      4.100     2.100     1.900 peak   599 weight  0.10000E+01 volume  0.76515E-03 ppm1      8.700 ppm2      1.280 CV     1
 ASSI {  686}
   (( segid "SH3 " and resid 357  and name HN  ))
   (( segid "SH3 " and resid 356  and name HB1 ))
      4.000     2.300     2.000 peak   686 weight  0.10000E+01 volume  0.53267E-03 ppm1      7.350 ppm2      3.350 CV     1
 ASSI {  105}
   (( segid "SH3 " and resid 311  and name HN  ))
   (( segid "SH3 " and resid 325  and name HD2 ))
      4.100     1.900     1.900 peak   105 weight  0.10000E+01 volume  0.11085E-02 ppm1      6.960 ppm2      1.120 CV     1
 OR {  105}
   (( segid "SH3 " and resid 311  and name HN  ))
   (( segid "SH3 " and resid 325  and name HD1 ))
 ASSI {  109}
   (( segid "SH3 " and resid 311  and name HN  ))
   (( segid "SH3 " and resid 310  and name HB2 ))
      3.000     1.800     1.800 peak   109 weight  0.10000E+01 volume  0.12459E-02 ppm1      6.960 ppm2      0.490 CV     1
 ASSI {  845}
   (( segid "SH3 " and resid 311  and name HN  ))
   (  segid "SH3 " and resid 323  and name HD1%)
      3.400     1.800     1.800 peak   845 weight  0.10000E+01 volume  0.12949E-02 ppm1      6.960 ppm2      0.850 CV     1
 ASSI {  104}
   (( segid "SH3 " and resid 311  and name HN  ))
   (  segid "SH3 " and resid 309  and name HB% )
      2.900     1.300     1.300 peak   104 weight  0.10000E+01 volume  0.33059E-02 ppm1      6.960 ppm2      1.550 CV     1
 ASSI {   96}
   (( segid "SH3 " and resid 311  and name HN  ))
   (  segid "SH3 " and resid 311  and name HD% )
      2.800     1.500     1.500 peak    96 weight  0.10000E+01 volume  0.22661E-02 ppm1      6.960 ppm2      6.600 CV     1
 ASSI {   99}
   (( segid "SH3 " and resid 311  and name HN  ))
   (( segid "SH3 " and resid 310  and name HA  ))
      3.200     1.600     1.600 peak    99 weight  0.10000E+01 volume  0.16971E-02 ppm1      6.960 ppm2      3.900 CV     1
 ASSI {  980}
   (( segid "SH3 " and resid 311  and name HN  ))
   (( segid "SH3 " and resid 311  and name HB2 ))
      2.600     1.500     1.500 peak   980 weight  0.10000E+01 volume  0.23347E-02 ppm1      6.960 ppm2      2.190 CV     1
 ASSI {  100}
   (( segid "SH3 " and resid 311  and name HN  ))
   (( segid "SH3 " and resid 325  and name HA  ))
      3.100     1.700     1.700 peak   100 weight  0.10000E+01 volume  0.14617E-02 ppm1      6.960 ppm2      3.290 CV     1
 ASSI {  106}
   (( segid "SH3 " and resid 311  and name HN  ))
   (( segid "SH3 " and resid 310  and name HB1 ))
      3.300     1.500     1.500 peak   106 weight  0.10000E+01 volume  0.20110E-02 ppm1      6.960 ppm2      0.950 CV     1
 ASSI {  101}
   (( segid "SH3 " and resid 311  and name HN  ))
   (( segid "SH3 " and resid 311  and name HB1 ))
      3.600     1.600     1.600 peak   101 weight  0.10000E+01 volume  0.16480E-02 ppm1      6.960 ppm2      3.130 CV     1
 ASSI {  108}
   (( segid "SH3 " and resid 311  and name HN  ))
   (  segid "SH3 " and resid 310  and name HD2%)
      3.800     1.700     1.700 peak   108 weight  0.10000E+01 volume  0.15696E-02 ppm1      6.960 ppm2      0.650 CV     1
 ASSI {   98}
   (( segid "SH3 " and resid 311  and name HN  ))
   (( segid "SH3 " and resid 357  and name HA  ))
      4.700     2.300     1.300 peak    98 weight  0.10000E+01 volume  0.59154E-03 ppm1      6.960 ppm2      5.430 CV     1
 ASSI {  679}
   (( segid "SH3 " and resid 357  and name HN  ))
   (  segid "SH3 " and resid 357  and name HD1%)
      4.100     1.600     1.600 peak   679 weight  0.10000E+01 volume  0.18639E-02 ppm1      7.340 ppm2      0.230 CV     1
 ASSI {  600}
   (( segid "SH3 " and resid 350  and name HN  ))
   (( segid "SH3 " and resid 321  and name HB1 ))
      4.700     2.200     1.300 peak   600 weight  0.10000E+01 volume  0.62290E-03 ppm1      8.700 ppm2      1.560 CV     1
 ASSI {  851}
   (( segid "SH3 " and resid 357  and name HN  ))
   (( segid "SH3 " and resid 357  and name HA  ))
      2.600     1.400     1.400 peak   851 weight  0.10000E+01 volume  0.27762E-02 ppm1      7.350 ppm2      5.430 CV     1
 ASSI {  680}
   (( segid "SH3 " and resid 357  and name HN  ))
   (  segid "SH3 " and resid 357  and name HG2%)
      2.700     1.300     1.300 peak   680 weight  0.10000E+01 volume  0.40417E-02 ppm1      7.350 ppm2      0.630 CV     1
 ASSI {  687}
   (( segid "SH3 " and resid 357  and name HN  ))
   (( segid "SH3 " and resid 355  and name HA  ))
      3.200     1.700     1.700 peak   687 weight  0.10000E+01 volume  0.14617E-02 ppm1      7.340 ppm2      4.840 CV     1
 ASSI {  684}
   (( segid "SH3 " and resid 357  and name HN  ))
   (( segid "SH3 " and resid 357  and name HB  ))
      3.600     1.700     1.700 peak   684 weight  0.10000E+01 volume  0.13636E-02 ppm1      7.340 ppm2      1.730 CV     1
 ASSI {  685}
   (( segid "SH3 " and resid 357  and name HN  ))
   (( segid "SH3 " and resid 356  and name HB2 ))
      3.300     2.100     2.100 peak   685 weight  0.10000E+01 volume  0.77500E-03 ppm1      7.350 ppm2      3.180 CV     1
 ASSI {  688}
   (( segid "SH3 " and resid 357  and name HN  ))
   (  segid "SH3 " and resid 356  and name HD% )
      4.100     1.900     1.900 peak   688 weight  0.10000E+01 volume  0.10987E-02 ppm1      7.350 ppm2      7.020 CV     1
 ASSI {  779}
   (( segid "SH3 " and resid 311  and name HN  ))
   (( segid "SH3 " and resid 310  and name HN  ))
      2.200     1.100     1.100 peak   779 weight  0.10000E+01 volume  0.68573E-02 ppm1      6.960 ppm2     -0.510 CV     1
 ASSI {  644}
   (( segid "SH3 " and resid 355  and name HD22))
   (( segid "SH3 " and resid 355  and name HB2 ))
      4.100     1.900     1.900 peak   644 weight  0.10000E+01 volume  0.97607E-03 ppm1      6.660 ppm2      2.780 CV     1
 ASSI {  643}
   (( segid "SH3 " and resid 355  and name HD21))
   (( segid "SH3 " and resid 355  and name HB2 ))
      3.200     1.800     1.800 peak   643 weight  0.10000E+01 volume  0.13145E-02 ppm1      7.490 ppm2      2.790 CV     1
 ASSI {  645}
   (( segid "SH3 " and resid 355  and name HD22))
   (( segid "SH3 " and resid 355  and name HB1 ))
      3.900     1.700     1.700 peak   645 weight  0.10000E+01 volume  0.13537E-02 ppm1      6.660 ppm2      3.080 CV     1
 ASSI {  646}
   (( segid "SH3 " and resid 355  and name HD21))
   (( segid "SH3 " and resid 355  and name HB1 ))
      3.000     1.700     1.700 peak   646 weight  0.10000E+01 volume  0.15205E-02 ppm1      7.490 ppm2      3.080 CV     1
 ASSI {  181}
   (( segid "SH3 " and resid 320  and name HN  ))
   (( segid "SH3 " and resid 319  and name HB1 ))
      3.600     2.200     2.200 peak   181 weight  0.10000E+01 volume  0.62782E-03 ppm1      7.730 ppm2      3.240 CV     1
 ASSI {  182}
   (( segid "SH3 " and resid 320  and name HN  ))
   (( segid "SH3 " and resid 320  and name HB  ))
      3.300     2.000     2.000 peak   182 weight  0.10000E+01 volume  0.90248E-03 ppm1      7.740 ppm2      4.610 CV     1
 ASSI {  178}
   (( segid "SH3 " and resid 320  and name HN  ))
   (  segid "SH3 " and resid 320  and name HG2%)
      3.100     1.300     1.300 peak   178 weight  0.10000E+01 volume  0.32373E-02 ppm1      7.730 ppm2      1.280 CV     1
 ASSI {  184}
   (( segid "SH3 " and resid 320  and name HN  ))
   (( segid "SH3 " and resid 320  and name HA  ))
      2.700     1.600     1.600 peak   184 weight  0.10000E+01 volume  0.16480E-02 ppm1      7.730 ppm2      5.150 CV     1
 ASSI {  186}
   (( segid "SH3 " and resid 320  and name HN  ))
   (( segid "SH3 " and resid 319  and name HN  ))
      3.000     2.100     2.100 peak   186 weight  0.10000E+01 volume  0.77794E-03 ppm1      7.730 ppm2      8.600 CV     1
 ASSI {  185}
   (( segid "SH3 " and resid 320  and name HN  ))
   (( segid "SH3 " and resid 321  and name HN  ))
      4.200     2.300     1.800 peak   185 weight  0.10000E+01 volume  0.59941E-03 ppm1      7.730 ppm2      8.230 CV     1
 ASSI {  180}
   (( segid "SH3 " and resid 320  and name HN  ))
   (( segid "SH3 " and resid 319  and name HB2 ))
      3.900     2.500     2.100 peak   180 weight  0.10000E+01 volume  0.43850E-03 ppm1      7.740 ppm2      2.990 CV     1
 ASSI {  567}
   (( segid "SH3 " and resid 348  and name HN  ))
   (( segid "SH3 " and resid 344  and name HA  ))
      4.500     2.300     1.500 peak   567 weight  0.10000E+01 volume  0.58271E-03 ppm1      7.480 ppm2      5.190 CV     1
 ASSI {  829}
   (( segid "SH3 " and resid 348  and name HN  ))
   (  segid "SH3 " and resid 321  and name HD1%)
      3.400     1.700     1.700 peak   829 weight  0.10000E+01 volume  0.14518E-02 ppm1      7.490 ppm2      0.580 CV     1
 ASSI {  563}
   (( segid "SH3 " and resid 348  and name HN  ))
   (( segid "SH3 " and resid 347  and name HB1 ))
      3.800     2.100     2.100 peak   563 weight  0.10000E+01 volume  0.75632E-03 ppm1      7.480 ppm2      2.910 CV     1
 ASSI {  562}
   (( segid "SH3 " and resid 348  and name HN  ))
   (( segid "SH3 " and resid 347  and name HB2 ))
      3.600     2.000     2.000 peak   562 weight  0.10000E+01 volume  0.95059E-03 ppm1      7.480 ppm2      2.620 CV     1
 ASSI {  566}
   (( segid "SH3 " and resid 348  and name HN  ))
   (( segid "SH3 " and resid 347  and name HA  ))
      3.300     1.600     1.600 peak   566 weight  0.10000E+01 volume  0.17756E-02 ppm1      7.480 ppm2      4.880 CV     1
 ASSI {  565}
   (( segid "SH3 " and resid 348  and name HN  ))
   (( segid "SH3 " and resid 348  and name HA1 ))
      2.800     1.300     1.300 peak   565 weight  0.10000E+01 volume  0.38945E-02 ppm1      7.480 ppm2      4.290 CV     1
 ASSI {  564}
   (( segid "SH3 " and resid 348  and name HN  ))
   (( segid "SH3 " and resid 348  and name HA2 ))
      2.500     1.200     1.200 peak   564 weight  0.10000E+01 volume  0.51698E-02 ppm1      7.480 ppm2      3.910 CV     1
 ASSI {  560}
   (( segid "SH3 " and resid 348  and name HN  ))
   (  segid "SH3 " and resid 345  and name HG2%)
      4.300     2.300     1.700 peak   560 weight  0.10000E+01 volume  0.59646E-03 ppm1      7.490 ppm2      1.220 CV     1
 ASSI {  557}
   (( segid "SH3 " and resid 348  and name HN  ))
   (( segid "SH3 " and resid 345  and name HN  ))
      2.700     1.400     1.400 peak   557 weight  0.10000E+01 volume  0.28154E-02 ppm1      7.480 ppm2     -0.930 CV     1
 ASSI {  399}
   (( segid "SH3 " and resid 338  and name HN  ))
   (( segid "SH3 " and resid 337  and name HB2 ))
      4.100     2.300     1.900 peak   399 weight  0.10000E+01 volume  0.53169E-03 ppm1      7.630 ppm2      2.460 CV     1
 ASSI {  389}
   (( segid "SH3 " and resid 338  and name HN  ))
   (( segid "SH3 " and resid 339  and name HN  ))
      2.400     1.300     1.300 peak   389 weight  0.10000E+01 volume  0.34727E-02 ppm1      7.630 ppm2      8.400 CV     1
 ASSI {  395}
   (( segid "SH3 " and resid 338  and name HN  ))
   (( segid "SH3 " and resid 338  and name HA1 ))
      2.900     1.300     1.300 peak   395 weight  0.10000E+01 volume  0.40319E-02 ppm1      7.630 ppm2      4.200 CV     1
 ASSI {  390}
   (( segid "SH3 " and resid 338  and name HN  ))
   (( segid "SH3 " and resid 335  and name HD21))
      4.000     2.000     2.000 peak   390 weight  0.10000E+01 volume  0.86427E-03 ppm1      7.630 ppm2      7.840 CV     1
 ASSI {  396}
   (( segid "SH3 " and resid 338  and name HN  ))
   (( segid "SH3 " and resid 338  and name HA2 ))
      2.200     1.100     1.100 peak   396 weight  0.10000E+01 volume  0.59154E-02 ppm1      7.630 ppm2      3.700 CV     1
 ASSI {  397}
   (( segid "SH3 " and resid 338  and name HN  ))
   (( segid "SH3 " and resid 337  and name HB1 ))
      3.600     1.900     1.900 peak   397 weight  0.10000E+01 volume  0.10987E-02 ppm1      7.630 ppm2      3.270 CV     1
 ASSI {  391}
   (( segid "SH3 " and resid 338  and name HN  ))
   (( segid "SH3 " and resid 335  and name HD22))
      5.000     2.200     1.000 peak   391 weight  0.10000E+01 volume  0.67396E-03 ppm1      7.630 ppm2      7.070 CV     1
 ASSI { 1319}
   (( segid "SH3 " and resid 327  and name HG1 ))
   (( segid "SH3 " and resid 327  and name HN  ))
      4.500     2.100     1.500 peak  1319 weight  0.10000E+01 volume  0.79657E-03 ppm1      2.330 ppm2      8.500 CV     1
 ASSI { 1317}
   (( segid "SH3 " and resid 327  and name HG1 ))
   (( segid "SH3 " and resid 327  and name HA  ))
      3.300     2.000     2.000 peak  1317 weight  0.10000E+01 volume  0.82793E-03 ppm1      2.330 ppm2      4.290 CV     1
 ASSI { 1484}
   (( segid "SH3 " and resid 353  and name HB2 ))
   (( segid "SH3 " and resid 353  and name HG2 ))
      2.500     1.700     1.700 peak  1484 weight  0.10000E+01 volume  0.16186E-02 ppm1      1.340 ppm2      0.240 CV     1
 OR { 1484}
   (( segid "SH3 " and resid 353  and name HB1 ))
   (( segid "SH3 " and resid 353  and name HG2 ))
 ASSI { 1645}
   (( segid "SH3 " and resid 353  and name HB2 ))
   (( segid "SH3 " and resid 356  and name HB2 ))
      2.800     2.400     2.400 peak  1645 weight  0.10000E+01 volume  0.48068E-03 ppm1      1.320 ppm2      3.190 CV     1
 OR { 1645}
   (( segid "SH3 " and resid 353  and name HB1 ))
   (( segid "SH3 " and resid 356  and name HB2 ))
 ASSI { 1480}
   (( segid "SH3 " and resid 353  and name HB1 ))
   (( segid "SH3 " and resid 354  and name HN  ))
      3.200     2.000     2.000 peak  1480 weight  0.10000E+01 volume  0.89370E-03 ppm1      1.340 ppm2      8.370 CV     1
 OR { 1480}
   (( segid "SH3 " and resid 353  and name HB2 ))
   (( segid "SH3 " and resid 354  and name HN  ))
 ASSI { 1482}
   (( segid "SH3 " and resid 353  and name HB2 ))
   (( segid "SH3 " and resid 353  and name HD2 ))
      3.200     2.000     2.000 peak  1482 weight  0.10000E+01 volume  0.88487E-03 ppm1      1.340 ppm2      1.980 CV     1
 OR { 1482}
   (( segid "SH3 " and resid 353  and name HB1 ))
   (( segid "SH3 " and resid 353  and name HD2 ))
 ASSI { 1479}
   (( segid "SH3 " and resid 353  and name HB2 ))
   (  segid "SH3 " and resid 356  and name HD% )
      2.700     1.900     1.900 peak  1479 weight  0.10000E+01 volume  0.97312E-03 ppm1      1.330 ppm2      7.020 CV     1
 OR { 1479}
   (( segid "SH3 " and resid 353  and name HB1 ))
   (  segid "SH3 " and resid 356  and name HD% )
 ASSI {  794}
   (( segid "SH3 " and resid 340  and name HD1 ))
   (( segid "SH3 " and resid 340  and name HZ2 ))
      4.700     2.700     1.300 peak   794 weight  0.10000E+01 volume  0.31686E-03 ppm1      7.090 ppm2      7.450 CV     1
 ASSI {  795}
   (( segid "SH3 " and resid 340  and name HD1 ))
   (( segid "SH3 " and resid 340  and name HB2 ))
      3.000     2.100     2.100 peak   795 weight  0.10000E+01 volume  0.75632E-03 ppm1      7.100 ppm2      2.540 CV     1
 ASSI {  654}
   (( segid "SH3 " and resid 332  and name HA  ))
   (  segid "SH3 " and resid 332  and name HD1%)
      2.900     1.100     1.100 peak   654 weight  0.10000E+01 volume  0.68279E-02 ppm1      4.250 ppm2      0.580 CV     1
 ASSI {  653}
   (( segid "SH3 " and resid 332  and name HA  ))
   (( segid "SH3 " and resid 332  and name HB1 ))
      2.400     1.200     1.200 peak   653 weight  0.10000E+01 volume  0.46400E-02 ppm1      4.250 ppm2      1.380 CV     1
 ASSI {  651}
   (( segid "SH3 " and resid 332  and name HA  ))
   (( segid "SH3 " and resid 333  and name HN  ))
      3.200     1.800     1.800 peak   651 weight  0.10000E+01 volume  0.11674E-02 ppm1      4.260 ppm2      6.990 CV     1
 ASSI {  652}
   (( segid "SH3 " and resid 332  and name HA  ))
   (( segid "SH3 " and resid 333  and name HA2 ))
      3.700     2.200     2.200 peak   652 weight  0.10000E+01 volume  0.66020E-03 ppm1      4.260 ppm2      3.940 CV     1
 ASSI {   41}
   (( segid "SH3 " and resid 306  and name HA  ))
   (( segid "SH3 " and resid 307  and name HA  ))
      3.400     1.600     1.600 peak    41 weight  0.10000E+01 volume  0.18639E-02 ppm1      4.980 ppm2      5.190 CV     1
 ASSI {   34}
   (( segid "SH3 " and resid 306  and name HA  ))
   (( segid "SH3 " and resid 306  and name HN  ))
      2.900     1.700     1.700 peak    34 weight  0.10000E+01 volume  0.15009E-02 ppm1      4.980 ppm2      7.660 CV     1
 ASSI {   35}
   (( segid "SH3 " and resid 306  and name HA  ))
   (  segid "SH3 " and resid 306  and name HD1%)
      2.500     1.300     1.300 peak    35 weight  0.10000E+01 volume  0.36983E-02 ppm1      4.980 ppm2      0.930 CV     1
 ASSI {   36}
   (( segid "SH3 " and resid 306  and name HA  ))
   (  segid "SH3 " and resid 306  and name HD2%)
      3.700     1.300     1.300 peak    36 weight  0.10000E+01 volume  0.32667E-02 ppm1      4.990 ppm2      0.850 CV     1
 ASSI {   38}
   (( segid "SH3 " and resid 306  and name HA  ))
   (( segid "SH3 " and resid 306  and name HG  ))
      2.600     1.300     1.300 peak    38 weight  0.10000E+01 volume  0.34138E-02 ppm1      4.980 ppm2      1.560 CV     1
 ASSI {   39}
   (( segid "SH3 " and resid 306  and name HA  ))
   (( segid "SH3 " and resid 306  and name HB2 ))
      2.700     1.500     1.500 peak    39 weight  0.10000E+01 volume  0.24525E-02 ppm1      4.980 ppm2      1.690 CV     1
 OR {   39}
   (( segid "SH3 " and resid 306  and name HA  ))
   (( segid "SH3 " and resid 306  and name HB1 ))
 ASSI {  912}
   (( segid "SH3 " and resid 340  and name HD1 ))
   (( segid "SH3 " and resid 335  and name HD21))
      3.600     2.100     2.100 peak   912 weight  0.10000E+01 volume  0.80245E-03 ppm1      7.100 ppm2      7.850 CV     1
 ASSI {  840}
   (( segid "SH3 " and resid 342  and name HA  ))
   (( segid "SH3 " and resid 342  and name HG2 ))
      3.000     1.500     1.500 peak   840 weight  0.10000E+01 volume  0.24623E-02 ppm1      3.430 ppm2      9.530 CV     1
 ASSI { 1712}
   (( segid "SH3 " and resid 340  and name HD1 ))
   (( segid "SH3 " and resid 339  and name HB2 ))
      2.900     1.700     1.700 peak  1712 weight  0.10000E+01 volume  0.15009E-02 ppm1      7.100 ppm2      2.150 CV     1
 ASSI {   31}
   (( segid "SH3 " and resid 306  and name HA  ))
   (  segid "SH3 " and resid 307  and name HD% )
      3.700     2.000     2.000 peak    31 weight  0.10000E+01 volume  0.81910E-03 ppm1      4.980 ppm2      6.920 CV     1
 ASSI {  848}
   (( segid "SH3 " and resid 342  and name HA  ))
   (( segid "SH3 " and resid 342  and name HG1 ))
      2.700     1.400     1.400 peak   848 weight  0.10000E+01 volume  0.27173E-02 ppm1      3.430 ppm2      1.090 CV     1
 ASSI { 1635}
   (( segid "SH3 " and resid 342  and name HA  ))
   (( segid "SH3 " and resid 340  and name HE3 ))
      4.400     2.400     1.600 peak  1635 weight  0.10000E+01 volume  0.50324E-03 ppm1      3.430 ppm2      7.420 CV     1
 ASSI {  847}
   (( segid "SH3 " and resid 342  and name HA  ))
   (( segid "SH3 " and resid 342  and name HB1 ))
      3.000     1.500     1.500 peak   847 weight  0.10000E+01 volume  0.21778E-02 ppm1      3.430 ppm2      1.290 CV     1
 ASSI {  849}
   (( segid "SH3 " and resid 342  and name HA  ))
   (( segid "SH3 " and resid 342  and name HB2 ))
      2.500     1.400     1.400 peak   849 weight  0.10000E+01 volume  0.25898E-02 ppm1      3.430 ppm2      0.710 CV     1
 ASSI {  846}
   (( segid "SH3 " and resid 342  and name HA  ))
   (( segid "SH3 " and resid 341  and name HA  ))
      4.300     2.300     1.700 peak   846 weight  0.10000E+01 volume  0.58565E-03 ppm1      3.450 ppm2      5.150 CV     1
 ASSI {  822}
   (( segid "SH3 " and resid 341  and name HB1 ))
   (( segid "SH3 " and resid 342  and name HN  ))
      3.500     1.900     1.900 peak   822 weight  0.10000E+01 volume  0.10693E-02 ppm1      2.400 ppm2      8.130 CV     1
 ASSI {  825}
   (( segid "SH3 " and resid 341  and name HB1 ))
   (  segid "SH3 " and resid 334  and name HE% )
      3.600     1.900     1.900 peak   825 weight  0.10000E+01 volume  0.10300E-02 ppm1      2.390 ppm2      6.710 CV     1
 ASSI { 1651}
   (( segid "SH3 " and resid 341  and name HB2 ))
   (  segid "SH3 " and resid 334  and name HE% )
      4.300     2.100     1.700 peak  1651 weight  0.10000E+01 volume  0.72983E-03 ppm1      2.200 ppm2      6.720 CV     1
 ASSI {  836}
   (( segid "SH3 " and resid 341  and name HB2 ))
   (  segid "SH3 " and resid 357  and name HD1%)
      2.900     1.400     1.400 peak   836 weight  0.10000E+01 volume  0.26388E-02 ppm1      2.190 ppm2      0.270 CV     1
 ASSI {  829}
   (( segid "SH3 " and resid 341  and name HB2 ))
   (( segid "SH3 " and resid 341  and name HA  ))
      2.800     1.400     1.400 peak   829 weight  0.10000E+01 volume  0.25015E-02 ppm1      2.190 ppm2      5.120 CV     1
 ASSI { 1433}
   (( segid "SH3 " and resid 341  and name HB2 ))
   (( segid "SH3 " and resid 340  and name HE3 ))
      4.600     2.500     1.400 peak  1433 weight  0.10000E+01 volume  0.41005E-03 ppm1      2.170 ppm2      7.430 CV     1
 ASSI {  828}
   (( segid "SH3 " and resid 341  and name HB1 ))
   (( segid "SH3 " and resid 341  and name HA  ))
      2.600     1.400     1.400 peak   828 weight  0.10000E+01 volume  0.25407E-02 ppm1      2.400 ppm2      5.120 CV     1
 ASSI {  833}
   (( segid "SH3 " and resid 341  and name HB1 ))
   (  segid "SH3 " and resid 357  and name HD1%)
      2.700     1.500     1.500 peak   833 weight  0.10000E+01 volume  0.24623E-02 ppm1      2.400 ppm2      0.270 CV     1
 ASSI {  832}
   (( segid "SH3 " and resid 341  and name HB1 ))
   (  segid "SH3 " and resid 352  and name HG2%)
      3.300     1.900     1.900 peak   832 weight  0.10000E+01 volume  0.10104E-02 ppm1      2.390 ppm2      0.570 CV     1
 ASSI {  823}
   (( segid "SH3 " and resid 341  and name HB1 ))
   (  segid "SH3 " and resid 334  and name HD% )
      3.800     2.000     2.000 peak   823 weight  0.10000E+01 volume  0.89269E-03 ppm1      2.400 ppm2      7.090 CV     1
 ASSI {  827}
   (( segid "SH3 " and resid 341  and name HB2 ))
   (( segid "SH3 " and resid 334  and name HA  ))
      4.700     2.200     1.300 peak   827 weight  0.10000E+01 volume  0.60824E-03 ppm1      2.190 ppm2      5.470 CV     1
 ASSI {  835}
   (( segid "SH3 " and resid 341  and name HB2 ))
   (  segid "SH3 " and resid 331  and name HG2%)
      4.600     2.300     1.400 peak   835 weight  0.10000E+01 volume  0.56997E-03 ppm1      2.200 ppm2     -0.090 CV     1
 ASSI { 1649}
   (( segid "SH3 " and resid 341  and name HB2 ))
   (  segid "SH3 " and resid 334  and name HD% )
      3.800     1.800     1.800 peak  1649 weight  0.10000E+01 volume  0.13243E-02 ppm1      2.170 ppm2      7.090 CV     1
 ASSI {  830}
   (( segid "SH3 " and resid 341  and name HB1 ))
   (( segid "SH3 " and resid 354  and name HA  ))
      4.300     2.100     1.700 peak   830 weight  0.10000E+01 volume  0.80342E-03 ppm1      2.390 ppm2      3.980 CV     1
 ASSI { 1432}
   (( segid "SH3 " and resid 341  and name HB2 ))
   (( segid "SH3 " and resid 351  and name HZ3 ))
      4.600     2.500     1.400 peak  1432 weight  0.10000E+01 volume  0.42673E-03 ppm1      2.200 ppm2      6.880 CV     1
 ASSI {  960}
   (( segid "SH3 " and resid 344  and name HA  ))
   (  segid "SH3 " and resid 343  and name HB% )
      4.000     2.600     2.000 peak   960 weight  0.10000E+01 volume  0.38259E-03 ppm1      5.190 ppm2      1.090 CV     1
 ASSI {  959}
   (( segid "SH3 " and resid 344  and name HA  ))
   (  segid "SH3 " and resid 332  and name HD1%)
      3.700     1.700     1.700 peak   959 weight  0.10000E+01 volume  0.14813E-02 ppm1      5.190 ppm2      0.580 CV     1
 ASSI {  953}
   (( segid "SH3 " and resid 344  and name HA  ))
   (( segid "SH3 " and resid 344  and name HN  ))
      2.800     1.700     1.700 peak   953 weight  0.10000E+01 volume  0.16285E-02 ppm1      5.190 ppm2      8.790 CV     1
 ASSI {  955}
   (( segid "SH3 " and resid 344  and name HA  ))
   (( segid "SH3 " and resid 344  and name HG2 ))
      2.800     1.600     1.600 peak   955 weight  0.10000E+01 volume  0.17854E-02 ppm1      5.180 ppm2      2.200 CV     1
 ASSI {  952}
   (( segid "SH3 " and resid 344  and name HA  ))
   (( segid "SH3 " and resid 349  and name HA  ))
      2.100     1.200     1.200 peak   952 weight  0.10000E+01 volume  0.51698E-02 ppm1      5.190 ppm2      5.600 CV     1
 ASSI {  956}
   (( segid "SH3 " and resid 344  and name HA  ))
   (( segid "SH3 " and resid 349  and name HB1 ))
      3.700     1.600     1.600 peak   956 weight  0.10000E+01 volume  0.19228E-02 ppm1      5.180 ppm2      2.110 CV     1
 OR {  956}
   (( segid "SH3 " and resid 344  and name HA  ))
   (( segid "SH3 " and resid 349  and name HB2 ))
 ASSI {  957}
   (( segid "SH3 " and resid 344  and name HA  ))
   (( segid "SH3 " and resid 344  and name HB2 ))
      2.400     1.400     1.400 peak   957 weight  0.10000E+01 volume  0.30018E-02 ppm1      5.190 ppm2      1.780 CV     1
 ASSI {  908}
   (( segid "SH3 " and resid 351  and name HB1 ))
   (( segid "SH3 " and resid 351  and name HD1 ))
      3.700     1.700     1.700 peak   908 weight  0.10000E+01 volume  0.14813E-02 ppm1      3.210 ppm2      7.440 CV     1
 ASSI {  906}
   (( segid "SH3 " and resid 351  and name HB2 ))
   (( segid "SH3 " and resid 351  and name HD1 ))
      2.800     1.900     1.900 peak   906 weight  0.10000E+01 volume  0.11085E-02 ppm1      2.870 ppm2      7.440 CV     1
 ASSI {  909}
   (( segid "SH3 " and resid 351  and name HB1 ))
   (( segid "SH3 " and resid 351  and name HE3 ))
      2.800     1.700     1.700 peak   909 weight  0.10000E+01 volume  0.14421E-02 ppm1      3.210 ppm2      7.340 CV     1
 ASSI {  907}
   (( segid "SH3 " and resid 351  and name HB2 ))
   (( segid "SH3 " and resid 351  and name HE3 ))
      3.900     1.900     1.900 peak   907 weight  0.10000E+01 volume  0.11085E-02 ppm1      2.870 ppm2      7.340 CV     1
 ASSI { 1020}
   (( segid "SH3 " and resid 351  and name HB2 ))
   (( segid "SH3 " and resid 350  and name HA2 ))
      4.900     2.700     1.100 peak  1020 weight  0.10000E+01 volume  0.34040E-03 ppm1      2.890 ppm2      3.940 CV     1
 ASSI {  752}
   (( segid "SH3 " and resid 351  and name HB1 ))
   (( segid "SH3 " and resid 320  and name HA  ))
      4.400     2.400     1.600 peak   752 weight  0.10000E+01 volume  0.50619E-03 ppm1      3.200 ppm2      5.140 CV     1
 ASSI {  270}
   (( segid "SH3 " and resid 312  and name HA  ))
   (( segid "SH3 " and resid 312  and name HB1 ))
      2.700     1.300     1.300 peak   270 weight  0.10000E+01 volume  0.32471E-02 ppm1      4.850 ppm2      2.740 CV     1
 ASSI {  747}
   (( segid "SH3 " and resid 336  and name HB1 ))
   (( segid "SH3 " and resid 336  and name HE1 ))
      4.300     2.000     1.700 peak   747 weight  0.10000E+01 volume  0.86031E-03 ppm1      3.150 ppm2      7.040 CV     1
 OR {  747}
   (( segid "SH3 " and resid 336  and name HB2 ))
   (( segid "SH3 " and resid 336  and name HE1 ))
 ASSI {  750}
   (( segid "SH3 " and resid 336  and name HB1 ))
   (( segid "SH3 " and resid 337  and name HB2 ))
      4.600     2.700     1.400 peak   750 weight  0.10000E+01 volume  0.35414E-03 ppm1      3.170 ppm2      2.520 CV     1
 OR {  750}
   (( segid "SH3 " and resid 336  and name HB2 ))
   (( segid "SH3 " and resid 337  and name HB2 ))
 ASSI {  633}
   (( segid "SH3 " and resid 330  and name HA  ))
   (  segid "SH3 " and resid 331  and name HG2%)
      4.300     2.100     1.700 peak   633 weight  0.10000E+01 volume  0.78089E-03 ppm1      5.110 ppm2     -0.090 CV     1
 ASSI {  626}
   (( segid "SH3 " and resid 330  and name HA  ))
   (( segid "SH3 " and resid 307  and name HN  ))
      3.300     2.000     2.000 peak   626 weight  0.10000E+01 volume  0.87604E-03 ppm1      5.110 ppm2      9.320 CV     1
 ASSI {  628}
   (( segid "SH3 " and resid 330  and name HA  ))
   (( segid "SH3 " and resid 330  and name HN  ))
      2.800     1.600     1.600 peak   628 weight  0.10000E+01 volume  0.20012E-02 ppm1      5.110 ppm2      8.370 CV     1
 ASSI {  631}
   (( segid "SH3 " and resid 330  and name HA  ))
   (( segid "SH3 " and resid 330  and name HB1 ))
      2.400     1.200     1.200 peak   631 weight  0.10000E+01 volume  0.43752E-02 ppm1      5.110 ppm2      1.680 CV     1
 OR {  631}
   (( segid "SH3 " and resid 330  and name HA  ))
   (( segid "SH3 " and resid 330  and name HB2 ))
 ASSI { 1323}
   (( segid "SH3 " and resid 330  and name HA  ))
   (( segid "SH3 " and resid 330  and name HG2 ))
      2.900     1.700     1.700 peak  1323 weight  0.10000E+01 volume  0.15892E-02 ppm1      5.110 ppm2      1.450 CV     1
 OR { 1323}
   (( segid "SH3 " and resid 330  and name HA  ))
   (( segid "SH3 " and resid 330  and name HG1 ))
 ASSI {  630}
   (( segid "SH3 " and resid 330  and name HA  ))
   (( segid "SH3 " and resid 305  and name HB1 ))
      3.400     2.000     2.000 peak   630 weight  0.10000E+01 volume  0.93588E-03 ppm1      5.110 ppm2      3.120 CV     1
 ASSI {  629}
   (( segid "SH3 " and resid 330  and name HA  ))
   (  segid "SH3 " and resid 307  and name HD% )
      4.200     2.300     1.800 peak   629 weight  0.10000E+01 volume  0.57778E-03 ppm1      5.120 ppm2      6.890 CV     1
 ASSI { 1003}
   (( segid "SH3 " and resid 349  and name HA  ))
   (( segid "SH3 " and resid 349  and name HB1 ))
      2.300     1.200     1.200 peak  1003 weight  0.10000E+01 volume  0.52875E-02 ppm1      5.600 ppm2      2.100 CV     1
 OR { 1003}
   (( segid "SH3 " and resid 349  and name HA  ))
   (( segid "SH3 " and resid 349  and name HB2 ))
 ASSI { 1004}
   (( segid "SH3 " and resid 349  and name HA  ))
   (( segid "SH3 " and resid 349  and name HG2 ))
      3.100     1.500     1.500 peak  1004 weight  0.10000E+01 volume  0.23347E-02 ppm1      5.600 ppm2      1.800 CV     1
 OR { 1004}
   (( segid "SH3 " and resid 349  and name HA  ))
   (( segid "SH3 " and resid 349  and name HG1 ))
 ASSI { 1002}
   (( segid "SH3 " and resid 349  and name HA  ))
   (( segid "SH3 " and resid 350  and name HA1 ))
      4.100     2.500     1.900 peak  1002 weight  0.10000E+01 volume  0.42084E-03 ppm1      5.600 ppm2      4.140 CV     1
 ASSI { 1001}
   (( segid "SH3 " and resid 349  and name HA  ))
   (( segid "SH3 " and resid 348  and name HA1 ))
      4.400     2.500     1.600 peak  1001 weight  0.10000E+01 volume  0.41201E-03 ppm1      5.620 ppm2      4.290 CV     1
 ASSI {    5}
   (( segid "SH3 " and resid 305  and name HA  ))
   (( segid "SH3 " and resid 331  and name HB  ))
      3.400     1.900     1.900 peak     5 weight  0.10000E+01 volume  0.99078E-03 ppm1      4.910 ppm2      1.550 CV     1
 ASSI {    4}
   (( segid "SH3 " and resid 355  and name HA  ))
   (( segid "SH3 " and resid 355  and name HB1 ))
      2.400     1.100     1.100 peak     4 weight  0.10000E+01 volume  0.61701E-02 ppm1      4.850 ppm2      3.070 CV     1
 ASSI {    3}
   (( segid "SH3 " and resid 305  and name HA  ))
   (( segid "SH3 " and resid 305  and name HB1 ))
      2.500     1.200     1.200 peak     3 weight  0.10000E+01 volume  0.52188E-02 ppm1      4.910 ppm2      3.080 CV     1
 ASSI {    6}
   (( segid "SH3 " and resid 305  and name HA  ))
   (( segid "SH3 " and resid 330  and name HB1 ))
      3.800     2.000     2.000 peak     6 weight  0.10000E+01 volume  0.94369E-03 ppm1      4.920 ppm2      1.710 CV     1
 OR {    6}
   (( segid "SH3 " and resid 305  and name HA  ))
   (( segid "SH3 " and resid 330  and name HB2 ))
 ASSI {    2}
   (( segid "SH3 " and resid 305  and name HA  ))
   (  segid "SH3 " and resid 307  and name HE% )
      2.900     1.500     1.500 peak     2 weight  0.10000E+01 volume  0.22171E-02 ppm1      4.910 ppm2      7.340 CV     1
 ASSI { 1640}
   (( segid "SH3 " and resid 315  and name HA  ))
   (  segid "SH3 " and resid 313  and name HE% )
      2.800     1.600     1.600 peak  1640 weight  0.10000E+01 volume  0.18835E-02 ppm1      3.780 ppm2      7.500 CV     1
 ASSI {  347}
   (( segid "SH3 " and resid 315  and name HA  ))
   (  segid "SH3 " and resid 315  and name HB% )
      2.200     1.000     1.000 peak   347 weight  0.10000E+01 volume  0.78677E-02 ppm1      3.790 ppm2      1.290 CV     1
 ASSI {  731}
   (( segid "SH3 " and resid 335  and name HA  ))
   (( segid "SH3 " and resid 334  and name HA  ))
      4.200     2.400     1.800 peak   731 weight  0.10000E+01 volume  0.50815E-03 ppm1      4.960 ppm2      5.460 CV     1
 ASSI {  726}
   (( segid "SH3 " and resid 335  and name HA  ))
   (( segid "SH3 " and resid 335  and name HN  ))
      2.900     1.500     1.500 peak   726 weight  0.10000E+01 volume  0.20601E-02 ppm1      4.970 ppm2      8.920 CV     1
 ASSI {  730}
   (( segid "SH3 " and resid 335  and name HA  ))
   (( segid "SH3 " and resid 351  and name HH2 ))
      3.100     1.600     1.600 peak   730 weight  0.10000E+01 volume  0.18050E-02 ppm1      4.970 ppm2      6.870 CV     1
 ASSI {  732}
   (( segid "SH3 " and resid 335  and name HA  ))
   (( segid "SH3 " and resid 335  and name HB1 ))
      2.700     1.300     1.300 peak   732 weight  0.10000E+01 volume  0.35904E-02 ppm1      4.970 ppm2      3.300 CV     1
 ASSI {  883}
   (( segid "SH3 " and resid 342  and name HG2 ))
   (  segid "SH3 " and resid 332  and name HD1%)
      3.800     2.500     2.200 peak   883 weight  0.10000E+01 volume  0.41986E-03 ppm1     -0.490 ppm2      0.530 CV     1
 ASSI {  885}
   (( segid "SH3 " and resid 342  and name HG1 ))
   (( segid "SH3 " and resid 333  and name HN  ))
      4.400     2.100     1.600 peak   885 weight  0.10000E+01 volume  0.80438E-03 ppm1      1.090 ppm2      6.990 CV     1
 ASSI {  875}
   (( segid "SH3 " and resid 342  and name HG2 ))
   (( segid "SH3 " and resid 351  and name HZ2 ))
      4.500     2.500     1.500 peak   875 weight  0.10000E+01 volume  0.42182E-03 ppm1     -0.480 ppm2      7.350 CV     1
 ASSI {  923}
   (( segid "SH3 " and resid 340  and name HH2 ))
   (( segid "SH3 " and resid 340  and name HZ2 ))
      2.300     1.200     1.200 peak   923 weight  0.10000E+01 volume  0.47087E-02 ppm1      7.280 ppm2      7.470 CV     1
 ASSI {  922}
   (( segid "SH3 " and resid 340  and name HH2 ))
   (( segid "SH3 " and resid 353  and name HB1 ))
      4.300     2.100     1.700 peak   922 weight  0.10000E+01 volume  0.80438E-03 ppm1      7.280 ppm2      1.290 CV     1
 OR {  922}
   (( segid "SH3 " and resid 340  and name HH2 ))
   (( segid "SH3 " and resid 353  and name HB2 ))
 ASSI {  920}
   (( segid "SH3 " and resid 340  and name HH2 ))
   (( segid "SH3 " and resid 340  and name HZ3 ))
      2.400     1.500     1.500 peak   920 weight  0.10000E+01 volume  0.22955E-02 ppm1      7.280 ppm2      6.800 CV     1
 ASSI {  872}
   (( segid "SH3 " and resid 342  and name HG2 ))
   (( segid "SH3 " and resid 333  and name HN  ))
      4.400     2.300     1.600 peak   872 weight  0.10000E+01 volume  0.56799E-03 ppm1     -0.480 ppm2      6.990 CV     1
 ASSI {  921}
   (( segid "SH3 " and resid 340  and name HH2 ))
   (( segid "SH3 " and resid 353  and name HD1 ))
      3.600     2.600     2.400 peak   921 weight  0.10000E+01 volume  0.38847E-03 ppm1      7.280 ppm2      2.080 CV     1
 ASSI { 1327}
   (( segid "SH3 " and resid 330  and name HG1 ))
   (( segid "SH3 " and resid 330  and name HN  ))
      3.700     2.300     2.300 peak  1327 weight  0.10000E+01 volume  0.58763E-03 ppm1      1.440 ppm2      8.370 CV     1
 OR { 1327}
   (( segid "SH3 " and resid 330  and name HG2 ))
   (( segid "SH3 " and resid 330  and name HN  ))
 ASSI { 1326}
   (( segid "SH3 " and resid 330  and name HG2 ))
   (( segid "SH3 " and resid 331  and name HN  ))
      5.000     2.600     1.000 peak  1326 weight  0.10000E+01 volume  0.37964E-03 ppm1      1.430 ppm2      8.570 CV     1
 OR { 1326}
   (( segid "SH3 " and resid 330  and name HG1 ))
   (( segid "SH3 " and resid 331  and name HN  ))
 ASSI {  802}
   (( segid "SH3 " and resid 351  and name HH2 ))
   (( segid "SH3 " and resid 340  and name HB2 ))
      4.800     2.400     1.200 peak   802 weight  0.10000E+01 volume  0.48167E-03 ppm1      6.880 ppm2      2.550 CV     1
 ASSI { 1668}
   (( segid "SH3 " and resid 306  and name HG  ))
   (  segid "SH3 " and resid 306  and name HD2%)
      2.800     1.500     1.500 peak  1668 weight  0.10000E+01 volume  0.20110E-02 ppm1      1.600 ppm2      0.920 CV     1
 ASSI {  619}
   (  segid "SH3 " and resid 329  and name HD1%)
   (( segid "SH3 " and resid 331  and name HA  ))
      5.000     2.400     1.000 peak   619 weight  0.10000E+01 volume  0.52090E-03 ppm1      0.620 ppm2      3.950 CV     1
 ASSI {  611}
   (  segid "SH3 " and resid 329  and name HD2%)
   (( segid "SH3 " and resid 324  and name HN  ))
      4.200     2.300     1.800 peak   611 weight  0.10000E+01 volume  0.54150E-03 ppm1      0.660 ppm2      8.990 CV     1
 ASSI { 1077}
   (( segid "SH3 " and resid 353  and name HG2 ))
   (  segid "SH3 " and resid 313  and name HE% )
      3.300     2.400     2.400 peak  1077 weight  0.10000E+01 volume  0.48559E-03 ppm1      0.240 ppm2      7.510 CV     1
 ASSI { 1086}
   (( segid "SH3 " and resid 353  and name HG1 ))
   (( segid "SH3 " and resid 356  and name HB2 ))
      4.400     2.400     1.600 peak  1086 weight  0.10000E+01 volume  0.46302E-03 ppm1      0.420 ppm2      3.180 CV     1
 ASSI { 1083}
   (( segid "SH3 " and resid 353  and name HG1 ))
   (( segid "SH3 " and resid 352  and name HA  ))
      4.800     2.600     1.200 peak  1083 weight  0.10000E+01 volume  0.39730E-03 ppm1      0.420 ppm2      4.800 CV     1
 ASSI { 1575}
   (  segid "SH3 " and resid 329  and name HD1%)
   (  segid "SH3 " and resid 343  and name HB% )
      2.400     1.100     1.100 peak  1575 weight  0.10000E+01 volume  0.58860E-02 ppm1      0.630 ppm2      1.080 CV     1
 ASSI {  621}
   (  segid "SH3 " and resid 329  and name HD2%)
   (( segid "SH3 " and resid 327  and name HB1 ))
      3.200     2.200     2.200 peak   621 weight  0.10000E+01 volume  0.67198E-03 ppm1      0.660 ppm2      2.510 CV     1
 ASSI {  612}
   (  segid "SH3 " and resid 329  and name HD1%)
   (( segid "SH3 " and resid 344  and name HN  ))
      4.400     2.100     1.600 peak   612 weight  0.10000E+01 volume  0.72202E-03 ppm1      0.630 ppm2      8.760 CV     1
 ASSI {  625}
   (  segid "SH3 " and resid 329  and name HD1%)
   (  segid "SH3 " and resid 357  and name HD1%)
      3.200     1.300     1.300 peak   625 weight  0.10000E+01 volume  0.34727E-02 ppm1      0.620 ppm2      0.230 CV     1
 ASSI {  620}
   (  segid "SH3 " and resid 329  and name HD1%)
   (( segid "SH3 " and resid 307  and name HB2 ))
      3.200     1.500     1.500 peak   620 weight  0.10000E+01 volume  0.21287E-02 ppm1      0.620 ppm2      2.720 CV     1
 OR {  620}
   (  segid "SH3 " and resid 329  and name HD1%)
   (( segid "SH3 " and resid 307  and name HB1 ))
 ASSI { 1666}
   (( segid "SH3 " and resid 353  and name HG1 ))
   (( segid "SH3 " and resid 353  and name HB1 ))
      2.400     1.600     1.600 peak  1666 weight  0.10000E+01 volume  0.18148E-02 ppm1      0.410 ppm2      1.310 CV     1
 OR { 1666}
   (( segid "SH3 " and resid 353  and name HG1 ))
   (( segid "SH3 " and resid 353  and name HB2 ))
 ASSI { 1088}
   (( segid "SH3 " and resid 353  and name HG1 ))
   (( segid "SH3 " and resid 353  and name HD1 ))
      2.300     1.600     1.600 peak  1088 weight  0.10000E+01 volume  0.16578E-02 ppm1      0.410 ppm2      2.070 CV     1
 ASSI { 1079}
   (( segid "SH3 " and resid 353  and name HG1 ))
   (  segid "SH3 " and resid 313  and name HD% )
      4.100     2.200     1.900 peak  1079 weight  0.10000E+01 volume  0.64452E-03 ppm1      0.410 ppm2      7.370 CV     1
 ASSI {  931}
   (( segid "SH3 " and resid 351  and name HH2 ))
   (( segid "SH3 " and resid 341  and name HA  ))
      4.800     2.600     1.200 peak   931 weight  0.10000E+01 volume  0.36198E-03 ppm1      6.880 ppm2      5.130 CV     1
 ASSI { 1080}
   (( segid "SH3 " and resid 353  and name HG2 ))
   (( segid "SH3 " and resid 340  and name HH2 ))
      4.400     2.100     1.600 peak  1080 weight  0.10000E+01 volume  0.71613E-03 ppm1      0.240 ppm2      7.300 CV     1
 ASSI { 1087}
   (( segid "SH3 " and resid 353  and name HG2 ))
   (( segid "SH3 " and resid 353  and name HD1 ))
      2.700     1.700     1.700 peak  1087 weight  0.10000E+01 volume  0.15696E-02 ppm1      0.240 ppm2      2.070 CV     1
 ASSI { 1598}
   (  segid "SH3 " and resid 329  and name HD1%)
   (  segid "SH3 " and resid 323  and name HG2%)
      2.400     1.100     1.100 peak  1598 weight  0.10000E+01 volume  0.62488E-02 ppm1      0.660 ppm2      0.840 CV     1
 ASSI {  613}
   (  segid "SH3 " and resid 329  and name HD2%)
   (( segid "SH3 " and resid 309  and name HN  ))
      3.300     1.500     1.500 peak   613 weight  0.10000E+01 volume  0.20699E-02 ppm1      0.650 ppm2      8.370 CV     1
 ASSI {  616}
   (  segid "SH3 " and resid 329  and name HD2%)
   (( segid "SH3 " and resid 328  and name HA  ))
      3.100     1.400     1.400 peak   616 weight  0.10000E+01 volume  0.28645E-02 ppm1      0.650 ppm2      5.230 CV     1
 ASSI {  618}
   (  segid "SH3 " and resid 329  and name HD2%)
   (( segid "SH3 " and resid 309  and name HA  ))
      4.100     1.900     1.900 peak   618 weight  0.10000E+01 volume  0.99078E-03 ppm1      0.660 ppm2      4.690 CV     1
 ASSI {  622}
   (  segid "SH3 " and resid 329  and name HD1%)
   (( segid "SH3 " and resid 327  and name HG2 ))
      4.500     2.200     1.500 peak   622 weight  0.10000E+01 volume  0.61509E-03 ppm1      0.660 ppm2      2.100 CV     1
 ASSI { 1078}
   (( segid "SH3 " and resid 353  and name HG1 ))
   (  segid "SH3 " and resid 313  and name HE% )
      2.800     2.300     2.300 peak  1078 weight  0.10000E+01 volume  0.54641E-03 ppm1      0.420 ppm2      7.500 CV     1
 ASSI {  617}
   (  segid "SH3 " and resid 329  and name HD2%)
   (( segid "SH3 " and resid 329  and name HA  ))
      3.300     1.900     1.900 peak   617 weight  0.10000E+01 volume  0.11183E-02 ppm1      0.650 ppm2      4.920 CV     1
 ASSI { 1665}
   (( segid "SH3 " and resid 353  and name HG2 ))
   (( segid "SH3 " and resid 340  and name HZ3 ))
      5.000     2.500     1.000 peak  1665 weight  0.10000E+01 volume  0.42084E-03 ppm1      0.250 ppm2      6.800 CV     1
 ASSI { 1082}
   (( segid "SH3 " and resid 353  and name HG1 ))
   (  segid "SH3 " and resid 356  and name HE% )
      4.700     2.400     1.300 peak  1082 weight  0.10000E+01 volume  0.47970E-03 ppm1      0.440 ppm2      6.960 CV     1
 ASSI {  610}
   (  segid "SH3 " and resid 329  and name HD2%)
   (( segid "SH3 " and resid 329  and name HN  ))
      3.600     1.700     1.700 peak   610 weight  0.10000E+01 volume  0.14224E-02 ppm1      0.660 ppm2      9.150 CV     1
 ASSI {   44}
   (( segid "SH3 " and resid 306  and name HG  ))
   (( segid "SH3 " and resid 306  and name HN  ))
      4.300     2.100     1.700 peak    44 weight  0.10000E+01 volume  0.80047E-03 ppm1      1.580 ppm2      7.650 CV     1
 ASSI {  200}
   (( segid "SH3 " and resid 310  and name HG  ))
   (( segid "SH3 " and resid 310  and name HB1 ))
      2.800     1.600     1.600 peak   200 weight  0.10000E+01 volume  0.19521E-02 ppm1      1.110 ppm2      0.990 CV     1
 ASSI {  197}
   (( segid "SH3 " and resid 310  and name HG  ))
   (( segid "SH3 " and resid 357  and name HA  ))
      4.000     2.100     2.000 peak   197 weight  0.10000E+01 volume  0.76323E-03 ppm1      1.110 ppm2      5.430 CV     1
 ASSI {  199}
   (( segid "SH3 " and resid 310  and name HG  ))
   (( segid "SH3 " and resid 310  and name HA  ))
      3.300     1.700     1.700 peak   199 weight  0.10000E+01 volume  0.14518E-02 ppm1      1.110 ppm2      3.910 CV     1
 ASSI {  198}
   (( segid "SH3 " and resid 310  and name HG  ))
   (( segid "SH3 " and resid 309  and name HA  ))
      4.800     2.500     1.200 peak   198 weight  0.10000E+01 volume  0.43163E-03 ppm1      1.110 ppm2      4.690 CV     1
 ASSI { 1596}
   (  segid "SH3 " and resid 321  and name HD1%)
   (( segid "SH3 " and resid 349  and name HG2 ))
      3.900     2.000     2.000 peak  1596 weight  0.10000E+01 volume  0.81519E-03 ppm1      0.580 ppm2      1.790 CV     1
 OR { 1596}
   (  segid "SH3 " and resid 321  and name HD1%)
   (( segid "SH3 " and resid 349  and name HG1 ))
 ASSI {  436}
   (  segid "SH3 " and resid 321  and name HD1%)
   (( segid "SH3 " and resid 350  and name HN  ))
      3.600     1.500     1.500 peak   436 weight  0.10000E+01 volume  0.24132E-02 ppm1      0.580 ppm2      8.700 CV     1
 ASSI { 1595}
   (  segid "SH3 " and resid 321  and name HD1%)
   (( segid "SH3 " and resid 349  and name HB2 ))
      4.100     2.100     1.900 peak  1595 weight  0.10000E+01 volume  0.76221E-03 ppm1      0.580 ppm2      2.110 CV     1
 OR { 1595}
   (  segid "SH3 " and resid 321  and name HD1%)
   (( segid "SH3 " and resid 349  and name HB1 ))
 ASSI { 1287}
   (  segid "SH3 " and resid 321  and name HD1%)
   (( segid "SH3 " and resid 350  and name HA2 ))
      4.500     2.000     1.500 peak  1287 weight  0.10000E+01 volume  0.92506E-03 ppm1      0.590 ppm2      4.000 CV     1
 ASSI {  901}
   (( segid "SH3 " and resid 343  and name HA  ))
   (  segid "SH3 " and resid 331  and name HG1%)
      4.100     2.100     1.900 peak   901 weight  0.10000E+01 volume  0.72790E-03 ppm1      5.200 ppm2      0.260 CV     1
 ASSI {  890}
   (( segid "SH3 " and resid 343  and name HA  ))
   (( segid "SH3 " and resid 342  and name HA  ))
      4.300     2.400     1.700 peak   890 weight  0.10000E+01 volume  0.48853E-03 ppm1      5.190 ppm2      3.430 CV     1
 ASSI {  888}
   (( segid "SH3 " and resid 343  and name HA  ))
   (( segid "SH3 " and resid 344  and name HN  ))
      2.100     1.000     1.000 peak   888 weight  0.10000E+01 volume  0.76323E-02 ppm1      5.190 ppm2      8.800 CV     1
 ASSI {  893}
   (( segid "SH3 " and resid 343  and name HA  ))
   (  segid "SH3 " and resid 343  and name HB% )
      2.100     1.000     1.000 peak   893 weight  0.10000E+01 volume  0.75043E-02 ppm1      5.190 ppm2      1.080 CV     1
 ASSI {  942}
   (( segid "SH3 " and resid 343  and name HA  ))
   (  segid "SH3 " and resid 352  and name HG2%)
      3.600     1.700     1.700 peak   942 weight  0.10000E+01 volume  0.13734E-02 ppm1      5.190 ppm2      0.570 CV     1
 ASSI {  891}
   (( segid "SH3 " and resid 343  and name HA  ))
   (( segid "SH3 " and resid 330  and name HB2 ))
      4.500     2.400     1.500 peak   891 weight  0.10000E+01 volume  0.47480E-03 ppm1      5.190 ppm2      1.690 CV     1
 OR {  891}
   (( segid "SH3 " and resid 343  and name HA  ))
   (( segid "SH3 " and resid 330  and name HB1 ))
 ASSI {  806}
   (( segid "SH3 " and resid 351  and name HZ3 ))
   (( segid "SH3 " and resid 340  and name HB2 ))
      4.400     2.400     1.600 peak   806 weight  0.10000E+01 volume  0.48068E-03 ppm1      6.860 ppm2      2.550 CV     1
 ASSI {  805}
   (( segid "SH3 " and resid 351  and name HZ3 ))
   (( segid "SH3 " and resid 342  and name HB2 ))
      3.800     2.700     2.200 peak   805 weight  0.10000E+01 volume  0.33942E-03 ppm1      6.860 ppm2      0.770 CV     1
 ASSI { 1486}
   (( segid "SH3 " and resid 353  and name HD1 ))
   (  segid "SH3 " and resid 323  and name HD1%)
      4.900     2.800     1.100 peak  1486 weight  0.10000E+01 volume  0.30116E-03 ppm1      2.080 ppm2      0.830 CV     1
 ASSI { 1067}
   (( segid "SH3 " and resid 353  and name HD1 ))
   (( segid "SH3 " and resid 356  and name HB1 ))
      5.600     2.700     0.400 peak  1067 weight  0.10000E+01 volume  0.32569E-03 ppm1      2.100 ppm2      3.350 CV     1
 ASSI { 1058}
   (( segid "SH3 " and resid 353  and name HD2 ))
   (  segid "SH3 " and resid 313  and name HD% )
      3.600     2.300     2.300 peak  1058 weight  0.10000E+01 volume  0.53954E-03 ppm1      1.990 ppm2      7.360 CV     1
 ASSI { 1069}
   (( segid "SH3 " and resid 353  and name HD2 ))
   (( segid "SH3 " and resid 352  and name HB  ))
      2.500     1.600     1.600 peak  1069 weight  0.10000E+01 volume  0.18639E-02 ppm1      1.980 ppm2      1.700 CV     1
 ASSI { 1068}
   (( segid "SH3 " and resid 353  and name HD1 ))
   (( segid "SH3 " and resid 356  and name HB2 ))
      4.300     2.300     1.700 peak  1068 weight  0.10000E+01 volume  0.57388E-03 ppm1      2.070 ppm2      3.190 CV     1
 ASSI { 1062}
   (( segid "SH3 " and resid 353  and name HD1 ))
   (( segid "SH3 " and resid 340  and name HZ3 ))
      2.800     2.000     2.000 peak  1062 weight  0.10000E+01 volume  0.81129E-03 ppm1      2.080 ppm2      6.800 CV     1
 ASSI { 1073}
   (( segid "SH3 " and resid 353  and name HD2 ))
   (( segid "SH3 " and resid 353  and name HG1 ))
      2.900     1.600     1.600 peak  1073 weight  0.10000E+01 volume  0.18148E-02 ppm1      1.980 ppm2      0.410 CV     1
 ASSI { 1059}
   (( segid "SH3 " and resid 353  and name HD1 ))
   (  segid "SH3 " and resid 313  and name HD% )
      3.600     2.100     2.100 peak  1059 weight  0.10000E+01 volume  0.69456E-03 ppm1      2.090 ppm2      7.330 CV     1
 ASSI { 1064}
   (( segid "SH3 " and resid 353  and name HD1 ))
   (( segid "SH3 " and resid 352  and name HA  ))
      2.100     1.300     1.300 peak  1064 weight  0.10000E+01 volume  0.34138E-02 ppm1      2.080 ppm2      4.790 CV     1
 ASSI { 1070}
   (( segid "SH3 " and resid 353  and name HD1 ))
   (( segid "SH3 " and resid 352  and name HB  ))
      3.400     1.600     1.600 peak  1070 weight  0.10000E+01 volume  0.18050E-02 ppm1      2.080 ppm2      1.710 CV     1
 ASSI { 1063}
   (( segid "SH3 " and resid 353  and name HD2 ))
   (( segid "SH3 " and resid 352  and name HA  ))
      2.700     1.400     1.400 peak  1063 weight  0.10000E+01 volume  0.30901E-02 ppm1      1.970 ppm2      4.790 CV     1
 ASSI { 1203}
   (( segid "SH3 " and resid 353  and name HD2 ))
   (( segid "SH3 " and resid 340  and name HZ3 ))
      4.500     2.100     1.500 peak  1203 weight  0.10000E+01 volume  0.71511E-03 ppm1      1.970 ppm2      6.800 CV     1
 ASSI { 1074}
   (( segid "SH3 " and resid 353  and name HD2 ))
   (( segid "SH3 " and resid 353  and name HG2 ))
      2.400     1.700     1.700 peak  1074 weight  0.10000E+01 volume  0.16383E-02 ppm1      1.970 ppm2      0.240 CV     1
 ASSI { 1204}
   (( segid "SH3 " and resid 353  and name HD1 ))
   (  segid "SH3 " and resid 313  and name HE% )
      3.400     2.400     2.400 peak  1204 weight  0.10000E+01 volume  0.47872E-03 ppm1      2.080 ppm2      7.510 CV     1
 ASSI { 1066}
   (( segid "SH3 " and resid 353  and name HD2 ))
   (( segid "SH3 " and resid 356  and name HB2 ))
      2.800     2.100     2.100 peak  1066 weight  0.10000E+01 volume  0.76323E-03 ppm1      1.970 ppm2      3.190 CV     1
 ASSI { 1065}
   (( segid "SH3 " and resid 353  and name HD2 ))
   (( segid "SH3 " and resid 356  and name HB1 ))
      4.000     2.400     2.000 peak  1065 weight  0.10000E+01 volume  0.46400E-03 ppm1      1.970 ppm2      3.340 CV     1
 ASSI { 1072}
   (( segid "SH3 " and resid 353  and name HD2 ))
   (  segid "SH3 " and resid 352  and name HG1%)
      4.000     2.100     2.000 peak  1072 weight  0.10000E+01 volume  0.72496E-03 ppm1      1.970 ppm2      0.970 CV     1
 ASSI { 1056}
   (( segid "SH3 " and resid 353  and name HD2 ))
   (  segid "SH3 " and resid 313  and name HE% )
      4.200     2.200     1.800 peak  1056 weight  0.10000E+01 volume  0.65137E-03 ppm1      1.970 ppm2      7.490 CV     1
 ASSI {  215}
   (  segid "SH3 " and resid 310  and name HD2%)
   (( segid "SH3 " and resid 358  and name HN  ))
      4.500     2.500     1.500 peak   215 weight  0.10000E+01 volume  0.41495E-03 ppm1      0.660 ppm2      8.740 CV     1
 ASSI {  217}
   (  segid "SH3 " and resid 329  and name HD1%)
   (  segid "SH3 " and resid 307  and name HD% )
      4.600     2.400     1.400 peak   217 weight  0.10000E+01 volume  0.51992E-03 ppm1      0.660 ppm2      6.960 CV     1
 ASSI {  216}
   (  segid "SH3 " and resid 310  and name HD2%)
   (( segid "SH3 " and resid 357  and name HN  ))
      3.900     2.200     2.100 peak   216 weight  0.10000E+01 volume  0.64158E-03 ppm1      0.670 ppm2      7.350 CV     1
 ASSI {  209}
   (  segid "SH3 " and resid 332  and name HD1%)
   (( segid "SH3 " and resid 331  and name HA  ))
      4.600     2.200     1.400 peak   209 weight  0.10000E+01 volume  0.69354E-03 ppm1      0.530 ppm2      3.970 CV     1
 ASSI { 1401}
   (  segid "SH3 " and resid 332  and name HD1%)
   (( segid "SH3 " and resid 349  and name HE22))
      3.400     1.500     1.500 peak  1401 weight  0.10000E+01 volume  0.21190E-02 ppm1      0.530 ppm2      6.530 CV     1
 ASSI { 1400}
   (  segid "SH3 " and resid 332  and name HD1%)
   (( segid "SH3 " and resid 349  and name HE21))
      2.900     1.600     1.600 peak  1400 weight  0.10000E+01 volume  0.18050E-02 ppm1      0.530 ppm2      7.480 CV     1
 ASSI {  211}
   (  segid "SH3 " and resid 332  and name HD1%)
   (( segid "SH3 " and resid 344  and name HB2 ))
      2.700     1.400     1.400 peak   211 weight  0.10000E+01 volume  0.30803E-02 ppm1      0.530 ppm2      1.780 CV     1
 ASSI {  210}
   (  segid "SH3 " and resid 332  and name HD1%)
   (( segid "SH3 " and resid 349  and name HB1 ))
      2.900     1.300     1.300 peak   210 weight  0.10000E+01 volume  0.33157E-02 ppm1      0.530 ppm2      2.110 CV     1
 OR {  210}
   (  segid "SH3 " and resid 332  and name HD1%)
   (( segid "SH3 " and resid 349  and name HB2 ))
 ASSI {  203}
   (  segid "SH3 " and resid 332  and name HD1%)
   (( segid "SH3 " and resid 343  and name HA  ))
      3.900     1.800     1.800 peak   203 weight  0.10000E+01 volume  0.12851E-02 ppm1      0.530 ppm2      5.200 CV     1
 ASSI { 1523}
   (( segid "SH3 " and resid 358  and name HB  ))
   (( segid "SH3 " and resid 357  and name HA  ))
      4.000     2.400     2.000 peak  1523 weight  0.10000E+01 volume  0.50129E-03 ppm1      3.930 ppm2      5.430 CV     1
 ASSI { 1522}
   (( segid "SH3 " and resid 358  and name HB  ))
   (( segid "SH3 " and resid 308  and name HN  ))
      4.800     2.600     1.200 peak  1522 weight  0.10000E+01 volume  0.37670E-03 ppm1      3.920 ppm2      9.430 CV     1
 ASSI { 1521}
   (( segid "SH3 " and resid 358  and name HB  ))
   (( segid "SH3 " and resid 358  and name HN  ))
      3.300     1.800     1.800 peak  1521 weight  0.10000E+01 volume  0.12164E-02 ppm1      3.930 ppm2      8.740 CV     1
 ASSI { 1526}
   (( segid "SH3 " and resid 358  and name HB  ))
   (  segid "SH3 " and resid 358  and name HG2%)
      2.200     1.000     1.000 peak  1526 weight  0.10000E+01 volume  0.80540E-02 ppm1      3.930 ppm2      1.090 CV     1
 ASSI { 1524}
   (( segid "SH3 " and resid 358  and name HB  ))
   (( segid "SH3 " and resid 358  and name HA  ))
      2.400     1.200     1.200 peak  1524 weight  0.10000E+01 volume  0.46400E-02 ppm1      3.930 ppm2      5.270 CV     1
 ASSI { 1527}
   (( segid "SH3 " and resid 358  and name HB  ))
   (  segid "SH3 " and resid 310  and name HD2%)
      2.700     1.100     1.100 peak  1527 weight  0.10000E+01 volume  0.59839E-02 ppm1      3.930 ppm2      0.660 CV     1
 ASSI { 1422}
   (( segid "SH3 " and resid 340  and name HZ3 ))
   (  segid "SH3 " and resid 313  and name HE% )
      4.300     2.200     1.700 peak  1422 weight  0.10000E+01 volume  0.60626E-03 ppm1      6.810 ppm2      7.510 CV     1
 ASSI { 1423}
   (( segid "SH3 " and resid 340  and name HZ3 ))
   (( segid "SH3 " and resid 352  and name HA  ))
      2.800     2.100     2.100 peak  1423 weight  0.10000E+01 volume  0.79362E-03 ppm1      6.800 ppm2      4.800 CV     1
 ASSI {   51}
   (  segid "SH3 " and resid 306  and name HD1%)
   (( segid "SH3 " and resid 328  and name HA  ))
      3.800     2.000     2.000 peak    51 weight  0.10000E+01 volume  0.88974E-03 ppm1      0.950 ppm2      5.190 CV     1
 ASSI { 1229}
   (  segid "SH3 " and resid 306  and name HD1%)
   (( segid "SH3 " and resid 305  and name HB2 ))
      4.100     2.100     1.900 peak  1229 weight  0.10000E+01 volume  0.72790E-03 ppm1      0.950 ppm2      2.970 CV     1
 ASSI { 1230}
   (  segid "SH3 " and resid 306  and name HD1%)
   (( segid "SH3 " and resid 305  and name HB1 ))
      4.200     2.200     1.800 peak  1230 weight  0.10000E+01 volume  0.68573E-03 ppm1      0.950 ppm2      3.130 CV     1
 ASSI {   47}
   (  segid "SH3 " and resid 306  and name HD1%)
   (( segid "SH3 " and resid 307  and name HN  ))
      3.600     1.600     1.600 peak    47 weight  0.10000E+01 volume  0.18835E-02 ppm1      0.950 ppm2      9.330 CV     1
 ASSI {   50}
   (  segid "SH3 " and resid 306  and name HD1%)
   (( segid "SH3 " and resid 306  and name HN  ))
      4.800     2.300     1.200 peak    50 weight  0.10000E+01 volume  0.54052E-03 ppm1      0.950 ppm2      7.650 CV     1
 ASSI {  947}
   (  segid "SH3 " and resid 343  and name HB% )
   (  segid "SH3 " and resid 352  and name HG2%)
      2.000     0.900     0.900 peak   947 weight  0.10000E+01 volume  0.10497E-01 ppm1      1.080 ppm2      0.600 CV     1
 ASSI {  946}
   (  segid "SH3 " and resid 343  and name HB% )
   (  segid "SH3 " and resid 331  and name HG2%)
      2.800     1.500     1.500 peak   946 weight  0.10000E+01 volume  0.20502E-02 ppm1      1.080 ppm2     -0.090 CV     1
 ASSI {  951}
   (  segid "SH3 " and resid 343  and name HB% )
   (( segid "SH3 " and resid 332  and name HN  ))
      4.900     2.200     1.100 peak   951 weight  0.10000E+01 volume  0.67690E-03 ppm1      1.080 ppm2      9.250 CV     1
 ASSI {  925}
   (( segid "SH3 " and resid 351  and name HE3 ))
   (( segid "SH3 " and resid 340  and name HB2 ))
      5.400     2.700     0.600 peak   925 weight  0.10000E+01 volume  0.34727E-03 ppm1      7.340 ppm2      2.540 CV     1
 ASSI {  811}
   (( segid "SH3 " and resid 340  and name HE3 ))
   (( segid "SH3 " and resid 351  and name HB2 ))
      4.800     2.500     1.200 peak   811 weight  0.10000E+01 volume  0.42575E-03 ppm1      7.420 ppm2      2.850 CV     1
 ASSI {  812}
   (( segid "SH3 " and resid 340  and name HE3 ))
   (( segid "SH3 " and resid 351  and name HB1 ))
      3.100     2.000     2.000 peak   812 weight  0.10000E+01 volume  0.84661E-03 ppm1      7.400 ppm2      3.220 CV     1
 ASSI {  814}
   (( segid "SH3 " and resid 340  and name HE3 ))
   (( segid "SH3 " and resid 340  and name HA  ))
      3.800     2.700     2.200 peak   814 weight  0.10000E+01 volume  0.34040E-03 ppm1      7.410 ppm2      5.090 CV     1
 ASSI {  405}
   (( segid "SH3 " and resid 320  and name HB  ))
   (( segid "SH3 " and resid 320  and name HA  ))
      2.300     1.300     1.300 peak   405 weight  0.10000E+01 volume  0.40711E-02 ppm1      4.600 ppm2      5.150 CV     1
 ASSI {  408}
   (( segid "SH3 " and resid 320  and name HB  ))
   (  segid "SH3 " and resid 320  and name HG2%)
      2.000     1.100     1.100 peak   408 weight  0.10000E+01 volume  0.65630E-02 ppm1      4.600 ppm2      1.280 CV     1
 ASSI { 1299}
   (( segid "SH3 " and resid 324  and name HB  ))
   (( segid "SH3 " and resid 327  and name HB1 ))
      4.800     2.700     1.200 peak  1299 weight  0.10000E+01 volume  0.32667E-03 ppm1      3.890 ppm2      2.510 CV     1
 ASSI { 1298}
   (( segid "SH3 " and resid 324  and name HB  ))
   (( segid "SH3 " and resid 327  and name HG2 ))
      4.200     2.300     1.800 peak  1298 weight  0.10000E+01 volume  0.59154E-03 ppm1      3.900 ppm2      2.080 CV     1
 OR { 1298}
   (( segid "SH3 " and resid 324  and name HB  ))
   (( segid "SH3 " and resid 327  and name HG1 ))
 ASSI {  515}
   (( segid "SH3 " and resid 324  and name HB  ))
   (( segid "SH3 " and resid 324  and name HA  ))
      2.800     1.400     1.400 peak   515 weight  0.10000E+01 volume  0.28547E-02 ppm1      3.900 ppm2      4.900 CV     1
 ASSI { 1300}
   (( segid "SH3 " and resid 324  and name HB  ))
   (( segid "SH3 " and resid 325  and name HN  ))
      2.600     1.400     1.400 peak  1300 weight  0.10000E+01 volume  0.31097E-02 ppm1      3.920 ppm2      8.920 CV     1
 ASSI { 1295}
   (( segid "SH3 " and resid 324  and name HB  ))
   (( segid "SH3 " and resid 327  and name HB2 ))
      3.000     1.800     1.800 peak  1295 weight  0.10000E+01 volume  0.12066E-02 ppm1      3.900 ppm2      2.330 CV     1
 ASSI { 1294}
   (( segid "SH3 " and resid 324  and name HB  ))
   (( segid "SH3 " and resid 325  and name HB1 ))
      5.000     2.600     1.000 peak  1294 weight  0.10000E+01 volume  0.38357E-03 ppm1      3.900 ppm2      1.660 CV     1
 OR { 1294}
   (( segid "SH3 " and resid 324  and name HB  ))
   (( segid "SH3 " and resid 325  and name HB2 ))
 ASSI {  225}
   (  segid "SH3 " and resid 321  and name HD1%)
   (( segid "SH3 " and resid 345  and name HN  ))
      3.900     2.100     2.100 peak   225 weight  0.10000E+01 volume  0.76617E-03 ppm1      0.670 ppm2      9.060 CV     1
 ASSI {  228}
   (  segid "SH3 " and resid 321  and name HD1%)
   (( segid "SH3 " and resid 322  and name HN  ))
      2.900     1.200     1.200 peak   228 weight  0.10000E+01 volume  0.45125E-02 ppm1      0.660 ppm2      8.130 CV     1
 ASSI {  230}
   (  segid "SH3 " and resid 321  and name HD1%)
   (( segid "SH3 " and resid 349  and name HA  ))
      3.400     1.800     1.800 peak   230 weight  0.10000E+01 volume  0.12753E-02 ppm1      0.660 ppm2      5.610 CV     1
 ASSI {  231}
   (  segid "SH3 " and resid 321  and name HD1%)
   (( segid "SH3 " and resid 344  and name HA  ))
      4.200     2.200     1.800 peak   231 weight  0.10000E+01 volume  0.64645E-03 ppm1      0.660 ppm2      5.180 CV     1
 ASSI {  220}
   (  segid "SH3 " and resid 310  and name HD1%)
   (( segid "SH3 " and resid 311  and name HN  ))
      4.800     2.400     1.200 peak   220 weight  0.10000E+01 volume  0.48559E-03 ppm1      0.660 ppm2      6.950 CV     1
 ASSI {  222}
   (  segid "SH3 " and resid 310  and name HD1%)
   (( segid "SH3 " and resid 357  and name HA  ))
      3.800     2.100     2.100 peak   222 weight  0.10000E+01 volume  0.70339E-03 ppm1      0.650 ppm2      5.430 CV     1
 ASSI {  223}
   (  segid "SH3 " and resid 310  and name HD1%)
   (( segid "SH3 " and resid 310  and name HA  ))
      2.400     0.900     0.900 peak   223 weight  0.10000E+01 volume  0.13636E-01 ppm1      0.650 ppm2      3.900 CV     1
 ASSI {  219}
   (  segid "SH3 " and resid 310  and name HD1%)
   (( segid "SH3 " and resid 310  and name HN  ))
      3.400     1.700     1.700 peak   219 weight  0.10000E+01 volume  0.14813E-02 ppm1      0.650 ppm2      9.500 CV     1
 ASSI {  221}
   (  segid "SH3 " and resid 310  and name HD1%)
   (  segid "SH3 " and resid 311  and name HE% )
      3.900     2.000     2.000 peak   221 weight  0.10000E+01 volume  0.82793E-03 ppm1      0.650 ppm2      6.610 CV     1
 ASSI {  419}
   (  segid "SH3 " and resid 320  and name HG2%)
   (( segid "SH3 " and resid 351  and name HB2 ))
      2.900     1.500     1.500 peak   419 weight  0.10000E+01 volume  0.20110E-02 ppm1      1.280 ppm2      2.860 CV     1
 ASSI {  418}
   (  segid "SH3 " and resid 320  and name HG2%)
   (( segid "SH3 " and resid 351  and name HB1 ))
      3.100     1.700     1.700 peak   418 weight  0.10000E+01 volume  0.14421E-02 ppm1      1.280 ppm2      3.210 CV     1
 ASSI { 1560}
   (  segid "SH3 " and resid 320  and name HG2%)
   (  segid "SH3 " and resid 313  and name HE% )
      2.600     1.500     1.500 peak  1560 weight  0.10000E+01 volume  0.24132E-02 ppm1      1.280 ppm2      7.520 CV     1
 ASSI {  410}
   (  segid "SH3 " and resid 320  and name HG2%)
   (( segid "SH3 " and resid 321  and name HN  ))
      3.200     1.700     1.700 peak   410 weight  0.10000E+01 volume  0.14911E-02 ppm1      1.280 ppm2      8.230 CV     1
 ASSI { 1281}
   (  segid "SH3 " and resid 320  and name HG2%)
   (( segid "SH3 " and resid 340  and name HZ3 ))
      2.800     1.500     1.500 peak  1281 weight  0.10000E+01 volume  0.20895E-02 ppm1      1.280 ppm2      6.800 CV     1
 ASSI {  415}
   (  segid "SH3 " and resid 320  and name HG2%)
   (( segid "SH3 " and resid 320  and name HA  ))
      2.100     1.100     1.100 peak   415 weight  0.10000E+01 volume  0.55622E-02 ppm1      1.280 ppm2      5.150 CV     1
 ASSI { 1280}
   (  segid "SH3 " and resid 320  and name HG2%)
   (( segid "SH3 " and resid 340  and name HH2 ))
      2.500     1.600     1.600 peak  1280 weight  0.10000E+01 volume  0.17559E-02 ppm1      1.280 ppm2      7.300 CV     1
 ASSI { 1562}
   (  segid "SH3 " and resid 320  and name HG2%)
   (( segid "SH3 " and resid 350  and name HA1 ))
      4.900     2.300     1.100 peak  1562 weight  0.10000E+01 volume  0.52973E-03 ppm1      1.280 ppm2      4.170 CV     1
 ASSI {  417}
   (  segid "SH3 " and resid 320  and name HG2%)
   (( segid "SH3 " and resid 315  and name HA  ))
      4.000     2.000     2.000 peak   417 weight  0.10000E+01 volume  0.83778E-03 ppm1      1.280 ppm2      3.790 CV     1
 ASSI {  903}
   (  segid "SH3 " and resid 320  and name HG2%)
   (( segid "SH3 " and resid 352  and name HN  ))
      3.800     1.900     1.900 peak   903 weight  0.10000E+01 volume  0.10300E-02 ppm1      1.280 ppm2      8.820 CV     1
 ASSI { 1380}
   (  segid "SH3 " and resid 331  and name HG2%)
   (( segid "SH3 " and resid 341  and name HB1 ))
      3.300     2.100     2.100 peak  1380 weight  0.10000E+01 volume  0.75440E-03 ppm1     -0.090 ppm2      2.390 CV     1
 ASSI { 1376}
   (  segid "SH3 " and resid 331  and name HG2%)
   (( segid "SH3 " and resid 343  and name HA  ))
      3.000     1.700     1.700 peak  1376 weight  0.10000E+01 volume  0.15696E-02 ppm1     -0.090 ppm2      5.190 CV     1
 ASSI { 1379}
   (  segid "SH3 " and resid 331  and name HG2%)
   (( segid "SH3 " and resid 307  and name HB2 ))
      2.700     1.600     1.600 peak  1379 weight  0.10000E+01 volume  0.17559E-02 ppm1     -0.090 ppm2      2.710 CV     1
 OR { 1379}
   (  segid "SH3 " and resid 331  and name HG2%)
   (( segid "SH3 " and resid 307  and name HB1 ))
 ASSI { 1386}
   (  segid "SH3 " and resid 331  and name HG2%)
   (  segid "SH3 " and resid 331  and name HG1%)
      2.100     0.900     0.900 peak  1386 weight  0.10000E+01 volume  0.13832E-01 ppm1     -0.090 ppm2      0.260 CV     1
 ASSI { 1378}
   (  segid "SH3 " and resid 331  and name HG2%)
   (( segid "SH3 " and resid 331  and name HA  ))
      2.400     1.200     1.200 peak  1378 weight  0.10000E+01 volume  0.49049E-02 ppm1     -0.090 ppm2      3.960 CV     1
 ASSI { 1375}
   (  segid "SH3 " and resid 331  and name HG2%)
   (  segid "SH3 " and resid 307  and name HD% )
      3.000     1.400     1.400 peak  1375 weight  0.10000E+01 volume  0.25309E-02 ppm1     -0.090 ppm2      6.920 CV     1
 ASSI { 1382}
   (  segid "SH3 " and resid 331  and name HG2%)
   (( segid "SH3 " and resid 331  and name HB  ))
      2.200     1.000     1.000 peak  1382 weight  0.10000E+01 volume  0.73673E-02 ppm1     -0.090 ppm2      1.540 CV     1
 ASSI { 1371}
   (  segid "SH3 " and resid 331  and name HG2%)
   (( segid "SH3 " and resid 332  and name HN  ))
      4.100     1.800     1.800 peak  1371 weight  0.10000E+01 volume  0.12949E-02 ppm1     -0.090 ppm2      9.240 CV     1
 ASSI { 1387}
   (  segid "SH3 " and resid 331  and name HG2%)
   (  segid "SH3 " and resid 329  and name HD1%)
      2.900     1.200     1.200 peak  1387 weight  0.10000E+01 volume  0.44243E-02 ppm1     -0.090 ppm2      0.620 CV     1
 ASSI { 1383}
   (  segid "SH3 " and resid 331  and name HG2%)
   (( segid "SH3 " and resid 329  and name HB2 ))
      3.200     2.000     2.000 peak  1383 weight  0.10000E+01 volume  0.83970E-03 ppm1     -0.090 ppm2      1.260 CV     1
 ASSI { 1374}
   (  segid "SH3 " and resid 331  and name HG2%)
   (  segid "SH3 " and resid 307  and name HE% )
      3.700     1.700     1.700 peak  1374 weight  0.10000E+01 volume  0.14224E-02 ppm1     -0.090 ppm2      7.340 CV     1
 ASSI { 1368}
   (  segid "SH3 " and resid 331  and name HG2%)
   (( segid "SH3 " and resid 344  and name HN  ))
      4.400     2.500     1.600 peak  1368 weight  0.10000E+01 volume  0.41790E-03 ppm1     -0.090 ppm2      8.780 CV     1
 ASSI { 1506}
   (  segid "SH3 " and resid 356  and name HE% )
   (  segid "SH3 " and resid 313  and name HE% )
      4.900     2.300     1.100 peak  1506 weight  0.10000E+01 volume  0.55131E-03 ppm1      6.950 ppm2      7.520 CV     1
 ASSI { 1505}
   (  segid "SH3 " and resid 356  and name HE% )
   (  segid "SH3 " and resid 313  and name HD% )
      3.700     1.700     1.700 peak  1505 weight  0.10000E+01 volume  0.13832E-02 ppm1      6.940 ppm2      7.380 CV     1
 ASSI { 1725}
   (  segid "SH3 " and resid 356  and name HE% )
   (( segid "SH3 " and resid 311  and name HB2 ))
      3.100     1.800     1.800 peak  1725 weight  0.10000E+01 volume  0.11772E-02 ppm1      6.940 ppm2      2.190 CV     1
 ASSI { 1728}
   (  segid "SH3 " and resid 356  and name HE% )
   (  segid "SH3 " and resid 311  and name HD% )
      4.100     2.100     1.900 peak  1728 weight  0.10000E+01 volume  0.74947E-03 ppm1      6.950 ppm2      6.600 CV     1
 ASSI { 1036}
   (  segid "SH3 " and resid 352  and name HG1%)
   (( segid "SH3 " and resid 351  and name HA  ))
      4.100     2.200     1.900 peak  1036 weight  0.10000E+01 volume  0.66218E-03 ppm1      0.970 ppm2      5.450 CV     1
 ASSI { 1030}
   (  segid "SH3 " and resid 352  and name HG1%)
   (( segid "SH3 " and resid 343  and name HN  ))
      3.800     2.100     2.100 peak  1030 weight  0.10000E+01 volume  0.70532E-03 ppm1      0.960 ppm2      9.000 CV     1
 ASSI { 1436}
   (  segid "SH3 " and resid 345  and name HG2%)
   (( segid "SH3 " and resid 344  and name HN  ))
      4.100     2.300     1.900 peak  1436 weight  0.10000E+01 volume  0.54739E-03 ppm1      1.220 ppm2      8.790 CV     1
 ASSI { 1032}
   (  segid "SH3 " and resid 352  and name HG1%)
   (  segid "SH3 " and resid 313  and name HE% )
      3.900     1.800     1.800 peak  1032 weight  0.10000E+01 volume  0.12459E-02 ppm1      0.970 ppm2      7.500 CV     1
 ASSI { 1037}
   (  segid "SH3 " and resid 352  and name HG1%)
   (( segid "SH3 " and resid 352  and name HA  ))
      2.400     1.300     1.300 peak  1037 weight  0.10000E+01 volume  0.35119E-02 ppm1      0.970 ppm2      4.790 CV     1
 ASSI { 1029}
   (  segid "SH3 " and resid 352  and name HG1%)
   (( segid "SH3 " and resid 352  and name HN  ))
      3.000     1.600     1.600 peak  1029 weight  0.10000E+01 volume  0.17756E-02 ppm1      0.970 ppm2      9.720 CV     1
 ASSI { 1045}
   (  segid "SH3 " and resid 352  and name HG1%)
   (( segid "SH3 " and resid 353  and name HG2 ))
      4.700     2.100     1.300 peak  1045 weight  0.10000E+01 volume  0.71709E-03 ppm1      0.970 ppm2      0.230 CV     1
 ASSI { 1044}
   (  segid "SH3 " and resid 352  and name HG1%)
   (  segid "SH3 " and resid 352  and name HG2%)
      2.100     0.900     0.900 peak  1044 weight  0.10000E+01 volume  0.12262E-01 ppm1      0.970 ppm2      0.570 CV     1
 ASSI { 1043}
   (  segid "SH3 " and resid 352  and name HG1%)
   (( segid "SH3 " and resid 352  and name HB  ))
      2.200     1.100     1.100 peak  1043 weight  0.10000E+01 volume  0.59743E-02 ppm1      0.970 ppm2      1.700 CV     1
 ASSI { 1442}
   (  segid "SH3 " and resid 345  and name HG2%)
   (( segid "SH3 " and resid 345  and name HA  ))
      2.100     0.900     0.900 peak  1442 weight  0.10000E+01 volume  0.14617E-01 ppm1      1.220 ppm2      4.920 CV     1
 ASSI { 1041}
   (  segid "SH3 " and resid 352  and name HG1%)
   (( segid "SH3 " and resid 313  and name HB1 ))
      4.600     2.400     1.400 peak  1041 weight  0.10000E+01 volume  0.49834E-03 ppm1      0.970 ppm2      3.030 CV     1
 ASSI { 1042}
   (  segid "SH3 " and resid 352  and name HG1%)
   (( segid "SH3 " and resid 353  and name HD1 ))
      3.900     1.800     1.800 peak  1042 weight  0.10000E+01 volume  0.12753E-02 ppm1      0.970 ppm2      2.070 CV     1
 ASSI { 1038}
   (  segid "SH3 " and resid 352  and name HG1%)
   (( segid "SH3 " and resid 320  and name HB  ))
      3.900     2.200     2.100 peak  1038 weight  0.10000E+01 volume  0.68573E-03 ppm1      0.970 ppm2      4.610 CV     1
 ASSI { 1033}
   (  segid "SH3 " and resid 352  and name HG1%)
   (  segid "SH3 " and resid 313  and name HD% )
      3.400     1.600     1.600 peak  1033 weight  0.10000E+01 volume  0.18247E-02 ppm1      0.970 ppm2      7.380 CV     1
 ASSI { 1437}
   (  segid "SH3 " and resid 345  and name HG2%)
   (( segid "SH3 " and resid 330  and name HN  ))
      3.400     1.800     1.800 peak  1437 weight  0.10000E+01 volume  0.11478E-02 ppm1      1.220 ppm2      8.360 CV     1
 ASSI { 1040}
   (  segid "SH3 " and resid 352  and name HG1%)
   (( segid "SH3 " and resid 313  and name HB2 ))
      3.900     2.100     2.100 peak  1040 weight  0.10000E+01 volume  0.76809E-03 ppm1      0.970 ppm2      3.190 CV     1
 ASSI { 1444}
   (  segid "SH3 " and resid 345  and name HG2%)
   (( segid "SH3 " and resid 327  and name HB1 ))
      4.400     1.800     1.600 peak  1444 weight  0.10000E+01 volume  0.12459E-02 ppm1      1.220 ppm2      2.510 CV     1
 ASSI { 1403}
   (  segid "SH3 " and resid 334  and name HE% )
   (( segid "SH3 " and resid 334  and name HB1 ))
      5.000     2.400     1.000 peak  1403 weight  0.10000E+01 volume  0.47578E-03 ppm1      6.710 ppm2      3.290 CV     1
 ASSI { 1441}
   (  segid "SH3 " and resid 345  and name HG2%)
   (( segid "SH3 " and resid 344  and name HA  ))
      3.200     1.700     1.700 peak  1441 weight  0.10000E+01 volume  0.14715E-02 ppm1      1.220 ppm2      5.190 CV     1
 ASSI { 1039}
   (  segid "SH3 " and resid 352  and name HG1%)
   (( segid "SH3 " and resid 342  and name HA  ))
      4.700     2.400     1.300 peak  1039 weight  0.10000E+01 volume  0.50324E-03 ppm1      0.970 ppm2      3.440 CV     1
 ASSI { 1585}
   (  segid "SH3 " and resid 334  and name HE% )
   (  segid "SH3 " and resid 334  and name HD% )
      2.100     0.800     0.800 peak  1585 weight  0.10000E+01 volume  0.17756E-01 ppm1      6.710 ppm2      7.090 CV     1
 ASSI { 1286}
   (( segid "SH3 " and resid 321  and name HB1 ))
   (( segid "SH3 " and resid 321  and name HG  ))
      2.800     1.600     1.600 peak  1286 weight  0.10000E+01 volume  0.18835E-02 ppm1      1.570 ppm2      1.390 CV     1
 ASSI {  434}
   (( segid "SH3 " and resid 321  and name HB1 ))
   (( segid "SH3 " and resid 321  and name HB2 ))
      1.700     1.000     1.000 peak   434 weight  0.10000E+01 volume  0.83778E-02 ppm1      1.560 ppm2      0.770 CV     1
 ASSI {  426}
   (( segid "SH3 " and resid 321  and name HB2 ))
   (( segid "SH3 " and resid 350  and name HN  ))
      5.000     2.500     1.000 peak   426 weight  0.10000E+01 volume  0.44243E-03 ppm1      0.780 ppm2      8.710 CV     1
 ASSI {  433}
   (( segid "SH3 " and resid 321  and name HB1 ))
   (  segid "SH3 " and resid 352  and name HG1%)
      2.700     1.600     1.600 peak   433 weight  0.10000E+01 volume  0.19325E-02 ppm1      1.570 ppm2      0.970 CV     1
 ASSI {  435}
   (( segid "SH3 " and resid 321  and name HB1 ))
   (  segid "SH3 " and resid 321  and name HD1%)
      3.400     1.300     1.300 peak   435 weight  0.10000E+01 volume  0.35119E-02 ppm1      1.560 ppm2      0.590 CV     1
 ASSI {  432}
   (( segid "SH3 " and resid 321  and name HB1 ))
   (( segid "SH3 " and resid 350  and name HA2 ))
      4.500     2.000     1.500 peak   432 weight  0.10000E+01 volume  0.85249E-03 ppm1      1.560 ppm2      4.000 CV     1
 ASSI { 1284}
   (( segid "SH3 " and resid 321  and name HB1 ))
   (( segid "SH3 " and resid 320  and name HB  ))
      3.700     1.700     1.700 peak  1284 weight  0.10000E+01 volume  0.15009E-02 ppm1      1.560 ppm2      4.610 CV     1
 ASSI {  719}
   (  segid "SH3 " and resid 334  and name HE% )
   (  segid "SH3 " and resid 357  and name HD1%)
      3.000     1.500     1.500 peak   719 weight  0.10000E+01 volume  0.22268E-02 ppm1      6.710 ppm2      0.270 CV     1
 ASSI { 1733}
   (  segid "SH3 " and resid 334  and name HE% )
   (( segid "SH3 " and resid 333  and name HA2 ))
      3.600     1.700     1.700 peak  1733 weight  0.10000E+01 volume  0.15107E-02 ppm1      6.710 ppm2      3.910 CV     1
 ASSI { 1734}
   (  segid "SH3 " and resid 334  and name HE% )
   (( segid "SH3 " and resid 354  and name HB2 ))
      3.600     1.700     1.700 peak  1734 weight  0.10000E+01 volume  0.13636E-02 ppm1      6.710 ppm2      3.820 CV     1
 OR { 1734}
   (  segid "SH3 " and resid 334  and name HE% )
   (( segid "SH3 " and resid 354  and name HB1 ))
 ASSI { 1735}
   (  segid "SH3 " and resid 334  and name HE% )
   (( segid "SH3 " and resid 341  and name HA  ))
      4.300     2.400     1.700 peak  1735 weight  0.10000E+01 volume  0.49638E-03 ppm1      6.710 ppm2      5.120 CV     1
 ASSI {  720}
   (  segid "SH3 " and resid 334  and name HE% )
   (  segid "SH3 " and resid 331  and name HG2%)
      4.800     2.600     1.200 peak   720 weight  0.10000E+01 volume  0.39436E-03 ppm1      6.700 ppm2     -0.090 CV     1
 ASSI {  770}
   (( segid "SH3 " and resid 338  and name HA1 ))
   (( segid "SH3 " and resid 334  and name HB1 ))
      3.800     1.600     1.600 peak   770 weight  0.10000E+01 volume  0.17069E-02 ppm1      4.200 ppm2      3.280 CV     1
 ASSI {  771}
   (( segid "SH3 " and resid 338  and name HA2 ))
   (( segid "SH3 " and resid 334  and name HB1 ))
      2.800     1.600     1.600 peak   771 weight  0.10000E+01 volume  0.19718E-02 ppm1      3.700 ppm2      3.280 CV     1
 ASSI {  766}
   (( segid "SH3 " and resid 338  and name HA2 ))
   (  segid "SH3 " and resid 334  and name HD% )
      3.100     1.700     1.700 peak   766 weight  0.10000E+01 volume  0.15009E-02 ppm1      3.700 ppm2      7.090 CV     1
 ASSI {  768}
   (( segid "SH3 " and resid 338  and name HA2 ))
   (( segid "SH3 " and resid 337  and name HA  ))
      4.800     2.500     1.200 peak   768 weight  0.10000E+01 volume  0.44046E-03 ppm1      3.700 ppm2      4.760 CV     1
 ASSI { 1584}
   (  segid "SH3 " and resid 334  and name HE% )
   (( segid "SH3 " and resid 334  and name HB2 ))
      4.700     2.100     1.300 peak  1584 weight  0.10000E+01 volume  0.70634E-03 ppm1      6.710 ppm2      2.970 CV     1
 ASSI {  596}
   (  segid "SH3 " and resid 324  and name HG2%)
   (( segid "SH3 " and resid 324  and name HB  ))
      2.400     1.000     1.000 peak   596 weight  0.10000E+01 volume  0.81129E-02 ppm1      1.260 ppm2      3.900 CV     1
 ASSI {  597}
   (  segid "SH3 " and resid 324  and name HG2%)
   (( segid "SH3 " and resid 325  and name HA  ))
      4.700     2.500     1.300 peak   597 weight  0.10000E+01 volume  0.42673E-03 ppm1      1.270 ppm2      3.270 CV     1
 ASSI { 1253}
   (  segid "SH3 " and resid 308  and name HG2%)
   (( segid "SH3 " and resid 308  and name HN  ))
      3.700     1.600     1.600 peak  1253 weight  0.10000E+01 volume  0.19423E-02 ppm1      0.810 ppm2      9.440 CV     1
 ASSI {  142}
   (  segid "SH3 " and resid 308  and name HG2%)
   (( segid "SH3 " and resid 329  and name HN  ))
      5.100     2.300     0.900 peak   142 weight  0.10000E+01 volume  0.57190E-03 ppm1      0.810 ppm2      9.150 CV     1
 ASSI {  145}
   (  segid "SH3 " and resid 308  and name HG2%)
   (( segid "SH3 " and resid 308  and name HA  ))
      2.300     1.000     1.000 peak   145 weight  0.10000E+01 volume  0.76911E-02 ppm1      0.810 ppm2      5.230 CV     1
 ASSI {  147}
   (  segid "SH3 " and resid 308  and name HG2%)
   (( segid "SH3 " and resid 326  and name HA2 ))
      2.500     1.300     1.300 peak   147 weight  0.10000E+01 volume  0.36983E-02 ppm1      0.810 ppm2      3.440 CV     1
 ASSI {  263}
   (  segid "SH3 " and resid 311  and name HE% )
   (( segid "SH3 " and resid 311  and name HB2 ))
      4.200     1.800     1.800 peak   263 weight  0.10000E+01 volume  0.11575E-02 ppm1      6.620 ppm2      2.190 CV     1
 ASSI {  266}
   (  segid "SH3 " and resid 311  and name HE% )
   (  segid "SH3 " and resid 310  and name HD2%)
      3.400     1.500     1.500 peak   266 weight  0.10000E+01 volume  0.21091E-02 ppm1      6.620 ppm2      0.660 CV     1
 ASSI { 1603}
   (  segid "SH3 " and resid 311  and name HE% )
   (( segid "SH3 " and resid 356  and name HA  ))
      2.600     1.200     1.200 peak  1603 weight  0.10000E+01 volume  0.48264E-02 ppm1      6.620 ppm2      4.740 CV     1
 ASSI {  262}
   (  segid "SH3 " and resid 311  and name HE% )
   (( segid "SH3 " and resid 311  and name HB1 ))
      4.200     1.800     1.800 peak   262 weight  0.10000E+01 volume  0.11968E-02 ppm1      6.620 ppm2      3.130 CV     1
 ASSI { 1602}
   (  segid "SH3 " and resid 311  and name HE% )
   (  segid "SH3 " and resid 356  and name HD% )
      4.300     1.800     1.700 peak  1602 weight  0.10000E+01 volume  0.11575E-02 ppm1      6.620 ppm2      6.990 CV     1
 ASSI {  261}
   (  segid "SH3 " and resid 311  and name HE% )
   (( segid "SH3 " and resid 356  and name HB1 ))
      4.800     2.400     1.200 peak   261 weight  0.10000E+01 volume  0.49245E-03 ppm1      6.620 ppm2      3.350 CV     1
 ASSI {  265}
   (  segid "SH3 " and resid 311  and name HE% )
   (( segid "SH3 " and resid 310  and name HB1 ))
      3.300     1.800     1.800 peak   265 weight  0.10000E+01 volume  0.12556E-02 ppm1      6.620 ppm2      0.950 CV     1
 ASSI {  993}
   (( segid "SH3 " and resid 348  and name HA2 ))
   (( segid "SH3 " and resid 349  and name HA  ))
      4.200     2.400     1.800 peak   993 weight  0.10000E+01 volume  0.49343E-03 ppm1      3.920 ppm2      5.590 CV     1
 ASSI {  995}
   (( segid "SH3 " and resid 348  and name HA1 ))
   (( segid "SH3 " and resid 347  and name HA  ))
      4.200     2.500     1.800 peak   995 weight  0.10000E+01 volume  0.43556E-03 ppm1      4.310 ppm2      4.880 CV     1
 ASSI {  996}
   (( segid "SH3 " and resid 350  and name HA1 ))
   (  segid "SH3 " and resid 321  and name HD1%)
      3.600     1.500     1.500 peak   996 weight  0.10000E+01 volume  0.20993E-02 ppm1      4.300 ppm2      0.660 CV     1
 ASSI {  991}
   (( segid "SH3 " and resid 348  and name HA1 ))
   (( segid "SH3 " and resid 345  and name HN  ))
      4.800     2.800     1.200 peak   991 weight  0.10000E+01 volume  0.31097E-03 ppm1      4.280 ppm2      9.080 CV     1
 ASSI { 1455}
   (( segid "SH3 " and resid 348  and name HA2 ))
   (( segid "SH3 " and resid 349  and name HB1 ))
      4.700     2.400     1.300 peak  1455 weight  0.10000E+01 volume  0.47087E-03 ppm1      3.900 ppm2      2.080 CV     1
 OR { 1455}
   (( segid "SH3 " and resid 348  and name HA2 ))
   (( segid "SH3 " and resid 349  and name HB2 ))
 ASSI {  990}
   (( segid "SH3 " and resid 348  and name HA2 ))
   (( segid "SH3 " and resid 345  and name HN  ))
      4.200     2.700     1.800 peak   990 weight  0.10000E+01 volume  0.33746E-03 ppm1      3.910 ppm2      9.070 CV     1
 ASSI {  526}
   (( segid "SH3 " and resid 329  and name HB1 ))
   (( segid "SH3 " and resid 329  and name HA  ))
      2.300     1.300     1.300 peak   526 weight  0.10000E+01 volume  0.31882E-02 ppm1      1.560 ppm2      4.910 CV     1
 ASSI { 1214}
   (( segid "SH3 " and resid 350  and name HA1 ))
   (( segid "SH3 " and resid 321  and name HN  ))
      4.300     2.400     1.700 peak  1214 weight  0.10000E+01 volume  0.51992E-03 ppm1      4.120 ppm2      8.240 CV     1
 ASSI {  532}
   (( segid "SH3 " and resid 329  and name HB2 ))
   (  segid "SH3 " and resid 329  and name HD1%)
      2.600     1.400     1.400 peak   532 weight  0.10000E+01 volume  0.25506E-02 ppm1      1.260 ppm2      0.630 CV     1
 ASSI {  607}
   (( segid "SH3 " and resid 329  and name HB1 ))
   (( segid "SH3 " and resid 330  and name HN  ))
      2.900     1.700     1.700 peak   607 weight  0.10000E+01 volume  0.14813E-02 ppm1      1.560 ppm2      8.370 CV     1
 ASSI {  531}
   (( segid "SH3 " and resid 329  and name HB1 ))
   (( segid "SH3 " and resid 307  and name HB2 ))
      4.700     2.500     1.300 peak   531 weight  0.10000E+01 volume  0.41790E-03 ppm1      1.550 ppm2      2.720 CV     1
 OR {  531}
   (( segid "SH3 " and resid 329  and name HB1 ))
   (( segid "SH3 " and resid 307  and name HB1 ))
 ASSI { 1221}
   (( segid "SH3 " and resid 350  and name HA1 ))
   (( segid "SH3 " and resid 351  and name HA  ))
      4.000     2.400     2.000 peak  1221 weight  0.10000E+01 volume  0.48362E-03 ppm1      4.130 ppm2      5.440 CV     1
 ASSI { 1631}
   (( segid "SH3 " and resid 350  and name HA1 ))
   (( segid "SH3 " and resid 321  and name HB2 ))
      2.500     1.600     1.600 peak  1631 weight  0.10000E+01 volume  0.18050E-02 ppm1      4.130 ppm2      0.770 CV     1
 ASSI { 1212}
   (( segid "SH3 " and resid 350  and name HA1 ))
   (( segid "SH3 " and resid 351  and name HD1 ))
      4.400     2.200     1.600 peak  1212 weight  0.10000E+01 volume  0.66609E-03 ppm1      4.140 ppm2      7.460 CV     1
 ASSI { 1206}
   (( segid "SH3 " and resid 350  and name HA1 ))
   (( segid "SH3 " and resid 321  and name HB1 ))
      2.700     2.000     2.000 peak  1206 weight  0.10000E+01 volume  0.90446E-03 ppm1      4.130 ppm2      1.560 CV     1
 ASSI { 1630}
   (( segid "SH3 " and resid 350  and name HA2 ))
   (( segid "SH3 " and resid 321  and name HB2 ))
      3.200     1.700     1.700 peak  1630 weight  0.10000E+01 volume  0.15205E-02 ppm1      4.020 ppm2      0.760 CV     1
 ASSI { 1213}
   (( segid "SH3 " and resid 350  and name HA2 ))
   (( segid "SH3 " and resid 351  and name HD1 ))
      3.600     2.100     2.100 peak  1213 weight  0.10000E+01 volume  0.70141E-03 ppm1      4.010 ppm2      7.460 CV     1
 ASSI { 1211}
   (( segid "SH3 " and resid 350  and name HA2 ))
   (( segid "SH3 " and resid 320  and name HA  ))
      4.700     2.300     1.300 peak  1211 weight  0.10000E+01 volume  0.56210E-03 ppm1      4.010 ppm2      5.150 CV     1
 ASSI { 1210}
   (( segid "SH3 " and resid 350  and name HA1 ))
   (( segid "SH3 " and resid 320  and name HA  ))
      4.500     2.200     1.500 peak  1210 weight  0.10000E+01 volume  0.66903E-03 ppm1      4.120 ppm2      5.140 CV     1
 ASSI {  527}
   (( segid "SH3 " and resid 329  and name HB2 ))
   (( segid "SH3 " and resid 329  and name HA  ))
      3.100     1.600     1.600 peak   527 weight  0.10000E+01 volume  0.18148E-02 ppm1      1.270 ppm2      4.910 CV     1
 ASSI { 1358}
   (  segid "SH3 " and resid 331  and name HG1%)
   (( segid "SH3 " and resid 332  and name HA  ))
      3.500     1.800     1.800 peak  1358 weight  0.10000E+01 volume  0.12655E-02 ppm1      0.280 ppm2      4.260 CV     1
 ASSI { 1352}
   (  segid "SH3 " and resid 331  and name HG1%)
   (  segid "SH3 " and resid 307  and name HE% )
      3.800     1.900     1.900 peak  1352 weight  0.10000E+01 volume  0.10104E-02 ppm1      0.280 ppm2      7.350 CV     1
 ASSI { 1353}
   (  segid "SH3 " and resid 331  and name HG1%)
   (( segid "SH3 " and resid 333  and name HN  ))
      2.400     1.100     1.100 peak  1353 weight  0.10000E+01 volume  0.54935E-02 ppm1      0.280 ppm2      6.990 CV     1
 ASSI { 1355}
   (  segid "SH3 " and resid 331  and name HG1%)
   (( segid "SH3 " and resid 341  and name HA  ))
      3.600     2.000     2.000 peak  1355 weight  0.10000E+01 volume  0.92801E-03 ppm1      0.280 ppm2      5.150 CV     1
 ASSI { 1354}
   (  segid "SH3 " and resid 331  and name HG1%)
   (  segid "SH3 " and resid 334  and name HE% )
      3.100     1.600     1.600 peak  1354 weight  0.10000E+01 volume  0.17069E-02 ppm1      0.280 ppm2      6.710 CV     1
 ASSI { 1362}
   (  segid "SH3 " and resid 331  and name HG1%)
   (( segid "SH3 " and resid 331  and name HB  ))
      2.200     1.000     1.000 peak  1362 weight  0.10000E+01 volume  0.80342E-02 ppm1      0.280 ppm2      1.530 CV     1
 ASSI { 1359}
   (  segid "SH3 " and resid 331  and name HG1%)
   (( segid "SH3 " and resid 331  and name HA  ))
      2.400     1.200     1.200 peak  1359 weight  0.10000E+01 volume  0.44929E-02 ppm1      0.280 ppm2      3.950 CV     1
 ASSI { 1367}
   (  segid "SH3 " and resid 331  and name HG1%)
   (( segid "SH3 " and resid 334  and name HN  ))
      4.700     2.600     1.300 peak  1367 weight  0.10000E+01 volume  0.38455E-03 ppm1      0.280 ppm2      8.750 CV     1
 ASSI { 1360}
   (  segid "SH3 " and resid 331  and name HG1%)
   (( segid "SH3 " and resid 341  and name HB1 ))
      2.800     1.700     1.700 peak  1360 weight  0.10000E+01 volume  0.15598E-02 ppm1      0.280 ppm2      2.400 CV     1
 ASSI { 1361}
   (  segid "SH3 " and resid 331  and name HG1%)
   (( segid "SH3 " and resid 341  and name HB2 ))
      3.800     1.400     1.400 peak  1361 weight  0.10000E+01 volume  0.25015E-02 ppm1      0.280 ppm2      2.190 CV     1
 ASSI { 1364}
   (  segid "SH3 " and resid 331  and name HG1%)
   (( segid "SH3 " and resid 332  and name HB2 ))
      4.600     2.100     1.400 peak  1364 weight  0.10000E+01 volume  0.69456E-03 ppm1      0.280 ppm2      1.210 CV     1
 ASSI { 1363}
   (  segid "SH3 " and resid 331  and name HG1%)
   (( segid "SH3 " and resid 342  and name HB1 ))
      3.900     2.200     2.100 peak  1363 weight  0.10000E+01 volume  0.68766E-03 ppm1      0.280 ppm2      1.330 CV     1
 ASSI {  372}
   (  segid "SH3 " and resid 314  and name HG2%)
   (( segid "SH3 " and resid 312  and name HB1 ))
      4.100     1.900     1.900 peak   372 weight  0.10000E+01 volume  0.99078E-03 ppm1      0.860 ppm2      2.740 CV     1
 ASSI {  373}
   (  segid "SH3 " and resid 314  and name HG2%)
   (( segid "SH3 " and resid 314  and name HB  ))
      2.200     0.900     0.900 peak   373 weight  0.10000E+01 volume  0.12164E-01 ppm1      0.850 ppm2      1.730 CV     1
 ASSI {  369}
   (  segid "SH3 " and resid 314  and name HG1%)
   (( segid "SH3 " and resid 313  and name HA  ))
      3.800     1.800     1.800 peak   369 weight  0.10000E+01 volume  0.12556E-02 ppm1      0.860 ppm2      4.980 CV     1
 ASSI {  366}
   (  segid "SH3 " and resid 314  and name HG2%)
   (( segid "SH3 " and resid 323  and name HN  ))
      5.100     2.400     0.900 peak   366 weight  0.10000E+01 volume  0.51502E-03 ppm1      0.850 ppm2      9.010 CV     1
 ASSI {  666}
   (( segid "SH3 " and resid 333  and name HA1 ))
   (( segid "SH3 " and resid 341  and name HA  ))
      5.000     2.400     1.000 peak   666 weight  0.10000E+01 volume  0.46499E-03 ppm1      4.240 ppm2      5.150 CV     1
 ASSI {  671}
   (( segid "SH3 " and resid 333  and name HA2 ))
   (  segid "SH3 " and resid 331  and name HG1%)
      4.200     2.000     1.800 peak   671 weight  0.10000E+01 volume  0.87995E-03 ppm1      3.910 ppm2      0.280 CV     1
 ASSI {  661}
   (( segid "SH3 " and resid 333  and name HA2 ))
   (( segid "SH3 " and resid 333  and name HN  ))
      2.800     1.400     1.400 peak   661 weight  0.10000E+01 volume  0.26192E-02 ppm1      3.910 ppm2      6.990 CV     1
 ASSI {  548}
   (( segid "SH3 " and resid 326  and name HA1 ))
   (( segid "SH3 " and resid 327  and name HN  ))
      3.200     1.600     1.600 peak   548 weight  0.10000E+01 volume  0.18344E-02 ppm1      4.370 ppm2      8.500 CV     1
 ASSI {  554}
   (( segid "SH3 " and resid 326  and name HA2 ))
   (( segid "SH3 " and resid 325  and name HD2 ))
      3.800     2.200     2.200 peak   554 weight  0.10000E+01 volume  0.66411E-03 ppm1      3.450 ppm2      1.130 CV     1
 ASSI {  662}
   (( segid "SH3 " and resid 333  and name HA1 ))
   (( segid "SH3 " and resid 333  and name HN  ))
      2.700     1.500     1.500 peak   662 weight  0.10000E+01 volume  0.24034E-02 ppm1      4.250 ppm2      6.990 CV     1
 ASSI {  547}
   (( segid "SH3 " and resid 326  and name HA1 ))
   (( segid "SH3 " and resid 326  and name HN  ))
      2.800     1.200     1.200 peak   547 weight  0.10000E+01 volume  0.51698E-02 ppm1      4.370 ppm2      8.950 CV     1
 ASSI {  550}
   (( segid "SH3 " and resid 326  and name HA2 ))
   (( segid "SH3 " and resid 309  and name HN  ))
      3.900     2.300     2.100 peak   550 weight  0.10000E+01 volume  0.54641E-03 ppm1      3.450 ppm2      8.350 CV     1
 ASSI {  555}
   (( segid "SH3 " and resid 326  and name HA1 ))
   (( segid "SH3 " and resid 325  and name HD2 ))
      3.800     2.200     2.200 peak   555 weight  0.10000E+01 volume  0.60037E-03 ppm1      4.370 ppm2      1.120 CV     1
 OR {  555}
   (( segid "SH3 " and resid 326  and name HA1 ))
   (( segid "SH3 " and resid 325  and name HD1 ))
 ASSI {  557}
   (( segid "SH3 " and resid 326  and name HA1 ))
   (  segid "SH3 " and resid 308  and name HG2%)
      3.600     1.400     1.400 peak   557 weight  0.10000E+01 volume  0.28350E-02 ppm1      4.370 ppm2      0.810 CV     1
 ASSI { 1306}
   (( segid "SH3 " and resid 333  and name HA1 ))
   (  segid "SH3 " and resid 331  and name HG1%)
      4.200     2.000     1.800 peak  1306 weight  0.10000E+01 volume  0.83087E-03 ppm1      4.260 ppm2      0.280 CV     1
 ASSI {  658}
   (( segid "SH3 " and resid 333  and name HA2 ))
   (( segid "SH3 " and resid 342  and name HN  ))
      5.000     2.500     1.000 peak   658 weight  0.10000E+01 volume  0.40122E-03 ppm1      3.920 ppm2      8.120 CV     1
 ASSI {  552}
   (( segid "SH3 " and resid 326  and name HA1 ))
   (  segid "SH3 " and resid 309  and name HB% )
      4.700     2.100     1.300 peak   552 weight  0.10000E+01 volume  0.74358E-03 ppm1      4.370 ppm2      1.560 CV     1
 ASSI { 1308}
   (( segid "SH3 " and resid 326  and name HA1 ))
   (( segid "SH3 " and resid 325  and name HB2 ))
      4.300     2.400     1.700 peak  1308 weight  0.10000E+01 volume  0.48264E-03 ppm1      4.380 ppm2      1.660 CV     1
 OR { 1308}
   (( segid "SH3 " and resid 326  and name HA1 ))
   (( segid "SH3 " and resid 325  and name HB1 ))
 ASSI {  664}
   (( segid "SH3 " and resid 333  and name HA2 ))
   (( segid "SH3 " and resid 334  and name HA  ))
      4.800     2.700     1.200 peak   664 weight  0.10000E+01 volume  0.32078E-03 ppm1      3.900 ppm2      5.480 CV     1
 ASSI { 1307}
   (( segid "SH3 " and resid 326  and name HA2 ))
   (( segid "SH3 " and resid 325  and name HB2 ))
      4.400     2.100     1.600 peak  1307 weight  0.10000E+01 volume  0.69456E-03 ppm1      3.450 ppm2      1.680 CV     1
 OR { 1307}
   (( segid "SH3 " and resid 326  and name HA2 ))
   (( segid "SH3 " and resid 325  and name HB1 ))
 ASSI {  553}
   (( segid "SH3 " and resid 326  and name HA2 ))
   (  segid "SH3 " and resid 309  and name HB% )
      4.300     2.100     1.700 peak   553 weight  0.10000E+01 volume  0.70141E-03 ppm1      3.440 ppm2      1.550 CV     1
 ASSI {  136}
   (  segid "SH3 " and resid 308  and name HG1%)
   (( segid "SH3 " and resid 326  and name HA1 ))
      5.000     2.200     1.000 peak   136 weight  0.10000E+01 volume  0.60920E-03 ppm1      0.770 ppm2      4.360 CV     1
 ASSI {  133}
   (  segid "SH3 " and resid 308  and name HG1%)
   (( segid "SH3 " and resid 357  and name HA  ))
      4.400     2.300     1.600 peak   133 weight  0.10000E+01 volume  0.52679E-03 ppm1      0.760 ppm2      5.420 CV     1
 ASSI {  132}
   (  segid "SH3 " and resid 308  and name HG1%)
   (( segid "SH3 " and resid 309  and name HN  ))
      3.800     1.700     1.700 peak   132 weight  0.10000E+01 volume  0.14224E-02 ppm1      0.770 ppm2      8.370 CV     1
 ASSI {  141}
   (  segid "SH3 " and resid 308  and name HG1%)
   (( segid "SH3 " and resid 308  and name HB  ))
      2.300     1.000     1.000 peak   141 weight  0.10000E+01 volume  0.73379E-02 ppm1      0.770 ppm2      1.690 CV     1
 ASSI {  137}
   (  segid "SH3 " and resid 308  and name HG1%)
   (( segid "SH3 " and resid 310  and name HA  ))
      3.200     1.500     1.500 peak   137 weight  0.10000E+01 volume  0.20699E-02 ppm1      0.770 ppm2      3.920 CV     1
 ASSI {  135}
   (  segid "SH3 " and resid 308  and name HG1%)
   (( segid "SH3 " and resid 309  and name HA  ))
      4.000     2.400     2.000 peak   135 weight  0.10000E+01 volume  0.50324E-03 ppm1      0.760 ppm2      4.690 CV     1
 ASSI {  134}
   (  segid "SH3 " and resid 308  and name HG1%)
   (( segid "SH3 " and resid 308  and name HA  ))
      3.000     1.300     1.300 peak   134 weight  0.10000E+01 volume  0.38847E-02 ppm1      0.770 ppm2      5.230 CV     1
 ASSI {  130}
   (  segid "SH3 " and resid 308  and name HG1%)
   (( segid "SH3 " and resid 326  and name HN  ))
      4.500     2.400     1.500 peak   130 weight  0.10000E+01 volume  0.46891E-03 ppm1      0.760 ppm2      8.960 CV     1
 ASSI {  138}
   (  segid "SH3 " and resid 308  and name HG1%)
   (( segid "SH3 " and resid 326  and name HA2 ))
      3.700     1.900     1.900 peak   138 weight  0.10000E+01 volume  0.10791E-02 ppm1      0.770 ppm2      3.440 CV     1
 ASSI { 1239}
   (( segid "SH3 " and resid 307  and name HB1 ))
   (  segid "SH3 " and resid 308  and name HG1%)
      5.100     2.600     0.900 peak  1239 weight  0.10000E+01 volume  0.37768E-03 ppm1      2.710 ppm2      0.780 CV     1
 OR { 1239}
   (( segid "SH3 " and resid 307  and name HB2 ))
   (  segid "SH3 " and resid 308  and name HG1%)
 ASSI {   81}
   (( segid "SH3 " and resid 307  and name HB1 ))
   (  segid "SH3 " and resid 357  and name HG2%)
      3.600     1.700     1.700 peak    81 weight  0.10000E+01 volume  0.15107E-02 ppm1      2.690 ppm2      0.630 CV     1
 OR {   81}
   (( segid "SH3 " and resid 307  and name HB2 ))
   (  segid "SH3 " and resid 357  and name HG2%)
 ASSI {   79}
   (( segid "SH3 " and resid 307  and name HB2 ))
   (( segid "SH3 " and resid 329  and name HB2 ))
      3.500     2.400     2.400 peak    79 weight  0.10000E+01 volume  0.49540E-03 ppm1      2.730 ppm2      1.280 CV     1
 OR {   79}
   (( segid "SH3 " and resid 307  and name HB1 ))
   (( segid "SH3 " and resid 329  and name HB2 ))
 ASSI {   74}
   (( segid "SH3 " and resid 307  and name HB1 ))
   (  segid "SH3 " and resid 307  and name HD% )
      2.700     1.500     1.500 peak    74 weight  0.10000E+01 volume  0.20797E-02 ppm1      2.720 ppm2      6.910 CV     1
 OR {   74}
   (( segid "SH3 " and resid 307  and name HB2 ))
   (  segid "SH3 " and resid 307  and name HD% )
 ASSI {  128}
   (  segid "SH3 " and resid 308  and name HG1%)
   (( segid "SH3 " and resid 329  and name HN  ))
      5.200     2.500     0.800 peak   128 weight  0.10000E+01 volume  0.41398E-03 ppm1      0.760 ppm2      9.160 CV     1
 ASSI { 1528}
   (  segid "SH3 " and resid 358  and name HG2%)
   (( segid "SH3 " and resid 357  and name HA  ))
      3.800     2.000     2.000 peak  1528 weight  0.10000E+01 volume  0.90446E-03 ppm1      1.090 ppm2      5.430 CV     1
 ASSI { 1529}
   (  segid "SH3 " and resid 358  and name HG2%)
   (( segid "SH3 " and resid 358  and name HA  ))
      3.300     1.500     1.500 peak  1529 weight  0.10000E+01 volume  0.20895E-02 ppm1      1.090 ppm2      5.260 CV     1
 ASSI { 1531}
   (  segid "SH3 " and resid 358  and name HG2%)
   (  segid "SH3 " and resid 308  and name HG1%)
      2.300     1.000     1.000 peak  1531 weight  0.10000E+01 volume  0.73673E-02 ppm1      1.090 ppm2      0.770 CV     1
 ASSI {  181}
   (  segid "SH3 " and resid 358  and name HG2%)
   (( segid "SH3 " and resid 309  and name HA  ))
      3.400     1.700     1.700 peak   181 weight  0.10000E+01 volume  0.16285E-02 ppm1      1.090 ppm2      4.720 CV     1
 ASSI {   68}
   (( segid "SH3 " and resid 307  and name HB1 ))
   (  segid "SH3 " and resid 307  and name HE% )
      5.000     2.600     1.000 peak    68 weight  0.10000E+01 volume  0.38259E-03 ppm1      2.690 ppm2      7.340 CV     1
 OR {   68}
   (( segid "SH3 " and resid 307  and name HB2 ))
   (  segid "SH3 " and resid 307  and name HE% )
 ASSI {  189}
   (( segid "SH3 " and resid 310  and name HB2 ))
   (( segid "SH3 " and resid 356  and name HA  ))
      3.400     2.200     2.200 peak   189 weight  0.10000E+01 volume  0.61605E-03 ppm1      0.480 ppm2      4.730 CV     1
 ASSI {  185}
   (( segid "SH3 " and resid 310  and name HB2 ))
   (  segid "SH3 " and resid 311  and name HE% )
      3.200     1.800     1.800 peak   185 weight  0.10000E+01 volume  0.11674E-02 ppm1      0.480 ppm2      6.600 CV     1
 ASSI {  194}
   (( segid "SH3 " and resid 310  and name HB2 ))
   (( segid "SH3 " and resid 310  and name HG  ))
      2.900     1.600     1.600 peak   194 weight  0.10000E+01 volume  0.18835E-02 ppm1      0.480 ppm2      1.110 CV     1
 ASSI {  188}
   (( segid "SH3 " and resid 310  and name HB1 ))
   (( segid "SH3 " and resid 356  and name HA  ))
      4.300     2.100     1.700 peak   188 weight  0.10000E+01 volume  0.76419E-03 ppm1      0.960 ppm2      4.730 CV     1
 ASSI { 1050}
   (  segid "SH3 " and resid 352  and name HG2%)
   (( segid "SH3 " and resid 351  and name HA  ))
      4.300     1.900     1.700 peak  1050 weight  0.10000E+01 volume  0.10791E-02 ppm1      0.570 ppm2      5.450 CV     1
 ASSI { 1471}
   (  segid "SH3 " and resid 352  and name HG2%)
   (( segid "SH3 " and resid 353  and name HD2 ))
      4.000     1.900     1.900 peak  1471 weight  0.10000E+01 volume  0.99078E-03 ppm1      0.570 ppm2      1.990 CV     1
 ASSI { 1472}
   (  segid "SH3 " and resid 352  and name HG2%)
   (( segid "SH3 " and resid 352  and name HB  ))
      2.200     1.100     1.100 peak  1472 weight  0.10000E+01 volume  0.56997E-02 ppm1      0.570 ppm2      1.700 CV     1
 ASSI { 1470}
   (  segid "SH3 " and resid 352  and name HG2%)
   (( segid "SH3 " and resid 341  and name HB2 ))
      2.900     1.800     1.800 peak  1470 weight  0.10000E+01 volume  0.12655E-02 ppm1      0.570 ppm2      2.180 CV     1
 ASSI { 1467}
   (  segid "SH3 " and resid 352  and name HG2%)
   (( segid "SH3 " and resid 356  and name HB2 ))
      4.300     2.200     1.700 peak  1467 weight  0.10000E+01 volume  0.64843E-03 ppm1      0.570 ppm2      3.200 CV     1
 ASSI { 1473}
   (  segid "SH3 " and resid 352  and name HG2%)
   (  segid "SH3 " and resid 357  and name HD1%)
      3.100     1.400     1.400 peak  1473 weight  0.10000E+01 volume  0.30116E-02 ppm1      0.570 ppm2      0.230 CV     1
 ASSI { 1468}
   (  segid "SH3 " and resid 352  and name HG2%)
   (( segid "SH3 " and resid 342  and name HA  ))
      4.100     2.300     1.900 peak  1468 weight  0.10000E+01 volume  0.58763E-03 ppm1      0.570 ppm2      3.420 CV     1
 ASSI { 1477}
   (  segid "SH3 " and resid 352  and name HG2%)
   (( segid "SH3 " and resid 351  and name HE3 ))
      4.200     2.100     1.800 peak  1477 weight  0.10000E+01 volume  0.77794E-03 ppm1      0.560 ppm2      7.360 CV     1
 ASSI { 1046}
   (  segid "SH3 " and resid 352  and name HG2%)
   (( segid "SH3 " and resid 352  and name HN  ))
      2.300     1.200     1.200 peak  1046 weight  0.10000E+01 volume  0.46302E-02 ppm1      0.570 ppm2      9.720 CV     1
 ASSI { 1476}
   (  segid "SH3 " and resid 352  and name HG2%)
   (( segid "SH3 " and resid 352  and name HA  ))
      3.300     1.700     1.700 peak  1476 weight  0.10000E+01 volume  0.14421E-02 ppm1      0.570 ppm2      4.790 CV     1
 ASSI { 1475}
   (  segid "SH3 " and resid 352  and name HG2%)
   (( segid "SH3 " and resid 354  and name HA  ))
      4.300     2.200     1.700 peak  1475 weight  0.10000E+01 volume  0.69060E-03 ppm1      0.570 ppm2      3.990 CV     1
 ASSI { 1223}
   (( segid "SH3 " and resid 306  and name HB1 ))
   (  segid "SH3 " and resid 306  and name HD2%)
      2.800     1.400     1.400 peak  1223 weight  0.10000E+01 volume  0.29724E-02 ppm1      1.700 ppm2      0.860 CV     1
 OR { 1223}
   (( segid "SH3 " and resid 306  and name HB2 ))
   (  segid "SH3 " and resid 306  and name HD2%)
 ASSI { 1224}
   (( segid "SH3 " and resid 306  and name HB2 ))
   (  segid "SH3 " and resid 306  and name HD1%)
      3.000     1.500     1.500 peak  1224 weight  0.10000E+01 volume  0.21091E-02 ppm1      1.710 ppm2      0.960 CV     1
 OR { 1224}
   (( segid "SH3 " and resid 306  and name HB1 ))
   (  segid "SH3 " and resid 306  and name HD1%)
 ASSI {  353}
   (  segid "SH3 " and resid 315  and name HB% )
   (  segid "SH3 " and resid 313  and name HE% )
      3.200     1.700     1.700 peak   353 weight  0.10000E+01 volume  0.14518E-02 ppm1      1.300 ppm2      7.500 CV     1
 ASSI {  160}
   (  segid "SH3 " and resid 309  and name HB% )
   (( segid "SH3 " and resid 327  and name HB2 ))
      3.800     1.700     1.700 peak   160 weight  0.10000E+01 volume  0.14421E-02 ppm1      1.550 ppm2      2.320 CV     1
 ASSI {  157}
   (  segid "SH3 " and resid 309  and name HB% )
   (( segid "SH3 " and resid 327  and name HA  ))
      4.300     2.000     1.700 peak   157 weight  0.10000E+01 volume  0.81321E-03 ppm1      1.550 ppm2      4.330 CV     1
 ASSI { 1641}
   (  segid "SH3 " and resid 315  and name HB% )
   (( segid "SH3 " and resid 322  and name HN  ))
      2.400     1.300     1.300 peak  1641 weight  0.10000E+01 volume  0.32471E-02 ppm1      1.300 ppm2      8.130 CV     1
 ASSI { 1610}
   (  segid "SH3 " and resid 309  and name HB% )
   (( segid "SH3 " and resid 325  and name HA  ))
      2.400     1.200     1.200 peak  1610 weight  0.10000E+01 volume  0.51207E-02 ppm1      1.550 ppm2      3.280 CV     1
 ASSI { 1606}
   (  segid "SH3 " and resid 309  and name HB% )
   (( segid "SH3 " and resid 326  and name HN  ))
      2.500     1.200     1.200 peak  1606 weight  0.10000E+01 volume  0.49638E-02 ppm1      1.550 ppm2      8.950 CV     1
 ASSI { 1644}
   (  segid "SH3 " and resid 315  and name HB% )
   (( segid "SH3 " and resid 322  and name HA  ))
      3.000     1.700     1.700 peak  1644 weight  0.10000E+01 volume  0.15402E-02 ppm1      1.300 ppm2      5.060 CV     1
 ASSI { 1613}
   (  segid "SH3 " and resid 309  and name HB% )
   (  segid "SH3 " and resid 329  and name HD2%)
      2.800     1.100     1.100 peak  1613 weight  0.10000E+01 volume  0.58661E-02 ppm1      1.550 ppm2      0.640 CV     1
 ASSI { 1643}
   (  segid "SH3 " and resid 315  and name HB% )
   (( segid "SH3 " and resid 322  and name HB1 ))
      3.200     1.400     1.400 peak  1643 weight  0.10000E+01 volume  0.25604E-02 ppm1      1.300 ppm2      4.030 CV     1
 ASSI { 1608}
   (  segid "SH3 " and resid 309  and name HB% )
   (( segid "SH3 " and resid 308  and name HA  ))
      3.700     1.700     1.700 peak  1608 weight  0.10000E+01 volume  0.16186E-02 ppm1      1.550 ppm2      5.240 CV     1
 ASSI {  161}
   (  segid "SH3 " and resid 309  and name HB% )
   (( segid "SH3 " and resid 327  and name HG2 ))
      3.900     1.600     1.600 peak   161 weight  0.10000E+01 volume  0.18148E-02 ppm1      1.550 ppm2      2.100 CV     1
 OR {  161}
   (  segid "SH3 " and resid 309  and name HB% )
   (( segid "SH3 " and resid 327  and name HG1 ))
 ASSI { 1614}
   (  segid "SH3 " and resid 309  and name HB% )
   (  segid "SH3 " and resid 323  and name HD1%)
      2.200     1.000     1.000 peak  1614 weight  0.10000E+01 volume  0.81129E-02 ppm1      1.560 ppm2      0.840 CV     1
 ASSI {  702}
   (( segid "SH3 " and resid 334  and name HB2 ))
   (( segid "SH3 " and resid 338  and name HA2 ))
      4.400     2.000     1.600 peak   702 weight  0.10000E+01 volume  0.84559E-03 ppm1      2.970 ppm2      3.700 CV     1
 ASSI {  692}
   (( segid "SH3 " and resid 334  and name HB1 ))
   (( segid "SH3 " and resid 335  and name HN  ))
      2.800     1.700     1.700 peak   692 weight  0.10000E+01 volume  0.13537E-02 ppm1      3.280 ppm2      8.910 CV     1
 ASSI {  695}
   (( segid "SH3 " and resid 334  and name HB2 ))
   (  segid "SH3 " and resid 334  and name HD% )
      3.000     1.500     1.500 peak   695 weight  0.10000E+01 volume  0.20209E-02 ppm1      2.970 ppm2      7.100 CV     1
 ASSI { 1339}
   (( segid "SH3 " and resid 330  and name HD2 ))
   (( segid "SH3 " and resid 344  and name HB1 ))
      3.900     2.000     2.000 peak  1339 weight  0.10000E+01 volume  0.91822E-03 ppm1      3.140 ppm2      1.990 CV     1
 OR { 1339}
   (( segid "SH3 " and resid 330  and name HD1 ))
   (( segid "SH3 " and resid 344  and name HB1 ))
 ASSI { 1338}
   (( segid "SH3 " and resid 330  and name HD2 ))
   (( segid "SH3 " and resid 330  and name HB1 ))
      2.300     1.100     1.100 peak  1338 weight  0.10000E+01 volume  0.72100E-02 ppm1      3.140 ppm2      1.650 CV     1
 OR { 1338}
   (( segid "SH3 " and resid 330  and name HD2 ))
   (( segid "SH3 " and resid 330  and name HB2 ))
 OR { 1338}
   (( segid "SH3 " and resid 330  and name HD1 ))
   (( segid "SH3 " and resid 330  and name HB1 ))
 OR { 1338}
   (( segid "SH3 " and resid 330  and name HD1 ))
   (( segid "SH3 " and resid 330  and name HB2 ))
 ASSI { 1337}
   (( segid "SH3 " and resid 330  and name HD1 ))
   (( segid "SH3 " and resid 330  and name HG2 ))
      2.500     1.200     1.200 peak  1337 weight  0.10000E+01 volume  0.46891E-02 ppm1      3.140 ppm2      1.440 CV     1
 OR { 1337}
   (( segid "SH3 " and resid 330  and name HD2 ))
   (( segid "SH3 " and resid 330  and name HG1 ))
 OR { 1337}
   (( segid "SH3 " and resid 330  and name HD2 ))
   (( segid "SH3 " and resid 330  and name HG2 ))
 OR { 1337}
   (( segid "SH3 " and resid 330  and name HD1 ))
   (( segid "SH3 " and resid 330  and name HG1 ))
 ASSI { 1331}
   (( segid "SH3 " and resid 330  and name HD2 ))
   (( segid "SH3 " and resid 330  and name HA  ))
      3.900     1.900     1.900 peak  1331 weight  0.10000E+01 volume  0.10497E-02 ppm1      3.140 ppm2      5.120 CV     1
 OR { 1331}
   (( segid "SH3 " and resid 330  and name HD1 ))
   (( segid "SH3 " and resid 330  and name HA  ))
 ASSI { 1340}
   (( segid "SH3 " and resid 330  and name HD2 ))
   (( segid "SH3 " and resid 331  and name HN  ))
      5.200     2.500     0.800 peak  1340 weight  0.10000E+01 volume  0.41103E-03 ppm1      3.130 ppm2      8.570 CV     1
 OR { 1340}
   (( segid "SH3 " and resid 330  and name HD1 ))
   (( segid "SH3 " and resid 331  and name HN  ))
 ASSI {  799}
   (( segid "SH3 " and resid 351  and name HZ2 ))
   (( segid "SH3 " and resid 351  and name HH2 ))
      2.600     1.200     1.200 peak   799 weight  0.10000E+01 volume  0.44635E-02 ppm1      7.350 ppm2      6.880 CV     1
 ASSI {  505}
   (  segid "SH3 " and resid 323  and name HG2%)
   (  segid "SH3 " and resid 309  and name HB% )
      3.400     1.200     1.200 peak   505 weight  0.10000E+01 volume  0.42771E-02 ppm1      0.860 ppm2      1.550 CV     1
 ASSI { 1597}
   (  segid "SH3 " and resid 323  and name HG2%)
   (  segid "SH3 " and resid 345  and name HG2%)
      2.800     1.100     1.100 peak  1597 weight  0.10000E+01 volume  0.56799E-02 ppm1      0.860 ppm2      1.220 CV     1
 ASSI {  495}
   (  segid "SH3 " and resid 323  and name HG2%)
   (( segid "SH3 " and resid 323  and name HN  ))
      3.000     1.400     1.400 peak   495 weight  0.10000E+01 volume  0.29037E-02 ppm1      0.860 ppm2      9.010 CV     1
 ASSI {  506}
   (  segid "SH3 " and resid 323  and name HG2%)
   (( segid "SH3 " and resid 321  and name HG  ))
      2.500     1.200     1.200 peak   506 weight  0.10000E+01 volume  0.46106E-02 ppm1      0.860 ppm2      1.430 CV     1
 ASSI {  497}
   (  segid "SH3 " and resid 323  and name HG2%)
   (  segid "SH3 " and resid 313  and name HD% )
      4.400     2.100     1.600 peak   497 weight  0.10000E+01 volume  0.73379E-03 ppm1      0.860 ppm2      7.370 CV     1
 ASSI {  500}
   (  segid "SH3 " and resid 323  and name HG2%)
   (( segid "SH3 " and resid 313  and name HB1 ))
      5.900     2.300     0.100 peak   500 weight  0.10000E+01 volume  0.56997E-03 ppm1      0.850 ppm2      3.040 CV     1
 ASSI {  501}
   (  segid "SH3 " and resid 323  and name HG2%)
   (( segid "SH3 " and resid 327  and name HB1 ))
      4.300     2.400     1.700 peak   501 weight  0.10000E+01 volume  0.48559E-03 ppm1      0.860 ppm2      2.510 CV     1
 ASSI {  503}
   (  segid "SH3 " and resid 323  and name HG2%)
   (( segid "SH3 " and resid 327  and name HG2 ))
      4.000     2.000     2.000 peak   503 weight  0.10000E+01 volume  0.81615E-03 ppm1      0.850 ppm2      2.100 CV     1
 OR {  503}
   (  segid "SH3 " and resid 323  and name HG2%)
   (( segid "SH3 " and resid 327  and name HG1 ))
 ASSI {  245}
   (( segid "SH3 " and resid 311  and name HB2 ))
   (( segid "SH3 " and resid 311  and name HA  ))
      3.000     1.500     1.500 peak   245 weight  0.10000E+01 volume  0.21778E-02 ppm1      2.190 ppm2      4.760 CV     1
 ASSI {  246}
   (( segid "SH3 " and resid 311  and name HB1 ))
   (( segid "SH3 " and resid 311  and name HA  ))
      2.400     1.300     1.300 peak   246 weight  0.10000E+01 volume  0.33648E-02 ppm1      3.130 ppm2      4.770 CV     1
 ASSI {  243}
   (( segid "SH3 " and resid 311  and name HB2 ))
   (  segid "SH3 " and resid 311  and name HD% )
      2.700     1.400     1.400 peak   243 weight  0.10000E+01 volume  0.28841E-02 ppm1      2.190 ppm2      6.590 CV     1
 ASSI {  244}
   (( segid "SH3 " and resid 311  and name HB1 ))
   (  segid "SH3 " and resid 311  and name HD% )
      2.600     1.400     1.400 peak   244 weight  0.10000E+01 volume  0.31097E-02 ppm1      3.130 ppm2      6.590 CV     1
 ASSI {  248}
   (( segid "SH3 " and resid 311  and name HB2 ))
   (( segid "SH3 " and resid 325  and name HB1 ))
      5.300     2.700     0.700 peak   248 weight  0.10000E+01 volume  0.33648E-03 ppm1      2.190 ppm2      1.640 CV     1
 OR {  248}
   (( segid "SH3 " and resid 311  and name HB2 ))
   (( segid "SH3 " and resid 325  and name HB2 ))
 ASSI { 1508}
   (( segid "SH3 " and resid 357  and name HB  ))
   (( segid "SH3 " and resid 308  and name HN  ))
      3.800     2.200     2.200 peak  1508 weight  0.10000E+01 volume  0.62879E-03 ppm1      1.730 ppm2      9.460 CV     1
 ASSI { 1514}
   (( segid "SH3 " and resid 357  and name HB  ))
   (( segid "SH3 " and resid 307  and name HB1 ))
      2.900     1.600     1.600 peak  1514 weight  0.10000E+01 volume  0.18442E-02 ppm1      1.730 ppm2      2.700 CV     1
 OR { 1514}
   (( segid "SH3 " and resid 357  and name HB  ))
   (( segid "SH3 " and resid 307  and name HB2 ))
 ASSI { 1510}
   (( segid "SH3 " and resid 357  and name HB  ))
   (  segid "SH3 " and resid 307  and name HD% )
      3.500     1.800     1.800 peak  1510 weight  0.10000E+01 volume  0.11380E-02 ppm1      1.730 ppm2      6.920 CV     1
 ASSI { 1512}
   (( segid "SH3 " and resid 357  and name HB  ))
   (( segid "SH3 " and resid 307  and name HA  ))
      4.600     2.500     1.400 peak  1512 weight  0.10000E+01 volume  0.45419E-03 ppm1      1.730 ppm2      5.230 CV     1
 ASSI { 1513}
   (( segid "SH3 " and resid 357  and name HB  ))
   (( segid "SH3 " and resid 309  and name HA  ))
      4.300     2.500     1.700 peak  1513 weight  0.10000E+01 volume  0.45224E-03 ppm1      1.720 ppm2      4.670 CV     1
 ASSI { 1164}
   (  segid "SH3 " and resid 357  and name HG2%)
   (( segid "SH3 " and resid 356  and name HB2 ))
      2.900     1.800     1.800 peak  1164 weight  0.10000E+01 volume  0.13440E-02 ppm1      0.630 ppm2      3.190 CV     1
 ASSI { 1167}
   (  segid "SH3 " and resid 357  and name HG2%)
   (  segid "SH3 " and resid 331  and name HG2%)
      3.800     1.900     1.900 peak  1167 weight  0.10000E+01 volume  0.10006E-02 ppm1      0.630 ppm2     -0.090 CV     1
 ASSI { 1166}
   (  segid "SH3 " and resid 357  and name HG2%)
   (  segid "SH3 " and resid 357  and name HD1%)
      2.800     1.000     1.000 peak  1166 weight  0.10000E+01 volume  0.94861E-02 ppm1      0.630 ppm2      0.220 CV     1
 ASSI { 1162}
   (  segid "SH3 " and resid 357  and name HG2%)
   (( segid "SH3 " and resid 309  and name HA  ))
      2.400     1.100     1.100 peak  1162 weight  0.10000E+01 volume  0.61899E-02 ppm1      0.630 ppm2      4.680 CV     1
 ASSI { 1159}
   (  segid "SH3 " and resid 357  and name HG2%)
   (( segid "SH3 " and resid 310  and name HN  ))
      3.400     1.600     1.600 peak  1159 weight  0.10000E+01 volume  0.19031E-02 ppm1      0.630 ppm2      9.490 CV     1
 ASSI {  294}
   (( segid "SH3 " and resid 313  and name HB2 ))
   (  segid "SH3 " and resid 356  and name HD% )
      4.000     1.800     1.800 peak   294 weight  0.10000E+01 volume  0.12556E-02 ppm1      3.180 ppm2      7.000 CV     1
 ASSI { 1397}
   (( segid "SH3 " and resid 332  and name HB2 ))
   (( segid "SH3 " and resid 333  and name HA2 ))
      3.900     2.500     2.100 peak  1397 weight  0.10000E+01 volume  0.43752E-03 ppm1      1.200 ppm2      3.940 CV     1
 ASSI {  293}
   (( segid "SH3 " and resid 313  and name HB2 ))
   (  segid "SH3 " and resid 313  and name HD% )
      2.800     1.500     1.500 peak   293 weight  0.10000E+01 volume  0.20209E-02 ppm1      3.180 ppm2      7.380 CV     1
 ASSI { 1394}
   (( segid "SH3 " and resid 332  and name HB1 ))
   (  segid "SH3 " and resid 332  and name HD1%)
      3.300     1.400     1.400 peak  1394 weight  0.10000E+01 volume  0.28252E-02 ppm1      1.390 ppm2      0.550 CV     1
 ASSI { 1393}
   (( segid "SH3 " and resid 332  and name HB2 ))
   (( segid "SH3 " and resid 332  and name HA  ))
      3.100     1.600     1.600 peak  1393 weight  0.10000E+01 volume  0.17363E-02 ppm1      1.210 ppm2      4.260 CV     1
 ASSI { 1388}
   (( segid "SH3 " and resid 332  and name HB1 ))
   (( segid "SH3 " and resid 332  and name HN  ))
      3.400     1.900     1.900 peak  1388 weight  0.10000E+01 volume  0.10791E-02 ppm1      1.400 ppm2      9.240 CV     1
 ASSI { 1263}
   (( segid "SH3 " and resid 313  and name HB2 ))
   (  segid "SH3 " and resid 313  and name HE% )
      4.300     2.200     1.700 peak  1263 weight  0.10000E+01 volume  0.60722E-03 ppm1      3.190 ppm2      7.480 CV     1
 ASSI { 1391}
   (( segid "SH3 " and resid 332  and name HB2 ))
   (( segid "SH3 " and resid 333  and name HN  ))
      4.100     2.200     1.900 peak  1391 weight  0.10000E+01 volume  0.60920E-03 ppm1      1.220 ppm2      6.980 CV     1
 ASSI {  295}
   (( segid "SH3 " and resid 313  and name HB1 ))
   (  segid "SH3 " and resid 356  and name HE% )
      3.600     1.900     1.900 peak   295 weight  0.10000E+01 volume  0.10300E-02 ppm1      3.030 ppm2      6.950 CV     1
 ASSI {  292}
   (( segid "SH3 " and resid 313  and name HB1 ))
   (  segid "SH3 " and resid 313  and name HD% )
      2.700     1.600     1.600 peak   292 weight  0.10000E+01 volume  0.18835E-02 ppm1      3.030 ppm2      7.380 CV     1
 ASSI { 1390}
   (( segid "SH3 " and resid 332  and name HB1 ))
   (( segid "SH3 " and resid 333  and name HN  ))
      4.400     2.100     1.600 peak  1390 weight  0.10000E+01 volume  0.70532E-03 ppm1      1.400 ppm2      6.990 CV     1
 ASSI {  307}
   (( segid "SH3 " and resid 313  and name HB1 ))
   (( segid "SH3 " and resid 314  and name HN  ))
      4.900     2.500     1.100 peak   307 weight  0.10000E+01 volume  0.42673E-03 ppm1      3.020 ppm2      7.910 CV     1
 ASSI { 1158}
   (  segid "SH3 " and resid 357  and name HG2%)
   (( segid "SH3 " and resid 357  and name HB  ))
      2.200     1.100     1.100 peak  1158 weight  0.10000E+01 volume  0.67492E-02 ppm1      0.630 ppm2      1.730 CV     1
 ASSI { 1155}
   (  segid "SH3 " and resid 357  and name HG2%)
   (( segid "SH3 " and resid 357  and name HA  ))
      2.300     1.100     1.100 peak  1155 weight  0.10000E+01 volume  0.58860E-02 ppm1      0.630 ppm2      5.430 CV     1
 ASSI { 1156}
   (  segid "SH3 " and resid 357  and name HG2%)
   (( segid "SH3 " and resid 356  and name HB1 ))
      3.100     1.800     1.800 peak  1156 weight  0.10000E+01 volume  0.12066E-02 ppm1      0.630 ppm2      3.330 CV     1
 ASSI { 1152}
   (  segid "SH3 " and resid 357  and name HG2%)
   (( segid "SH3 " and resid 309  and name HN  ))
      4.000     2.100     2.000 peak  1152 weight  0.10000E+01 volume  0.70436E-03 ppm1      0.630 ppm2      8.370 CV     1
 ASSI { 1157}
   (  segid "SH3 " and resid 357  and name HG2%)
   (( segid "SH3 " and resid 341  and name HB1 ))
      5.100     2.500     0.900 peak  1157 weight  0.10000E+01 volume  0.41888E-03 ppm1      0.640 ppm2      2.390 CV     1
 ASSI { 1272}
   (( segid "SH3 " and resid 318  and name HB2 ))
   (( segid "SH3 " and resid 318  and name HA  ))
      3.000     1.400     1.400 peak  1272 weight  0.10000E+01 volume  0.29920E-02 ppm1      2.550 ppm2      4.450 CV     1
 ASSI { 1275}
   (( segid "SH3 " and resid 318  and name HB2 ))
   (  segid "SH3 " and resid 320  and name HG2%)
      5.400     2.700     0.600 peak  1275 weight  0.10000E+01 volume  0.34433E-03 ppm1      2.570 ppm2      1.280 CV     1
 ASSI { 1271}
   (( segid "SH3 " and resid 318  and name HB1 ))
   (( segid "SH3 " and resid 318  and name HA  ))
      2.600     1.400     1.400 peak  1271 weight  0.10000E+01 volume  0.30705E-02 ppm1      2.660 ppm2      4.440 CV     1
 ASSI { 1628}
   (( segid "SH3 " and resid 347  and name HB1 ))
   (  segid "SH3 " and resid 321  and name HD1%)
      3.500     2.100     2.100 peak  1628 weight  0.10000E+01 volume  0.80047E-03 ppm1      2.910 ppm2      0.660 CV     1
 ASSI {  975}
   (( segid "SH3 " and resid 347  and name HB2 ))
   (( segid "SH3 " and resid 347  and name HA  ))
      3.100     1.500     1.500 peak   975 weight  0.10000E+01 volume  0.22955E-02 ppm1      2.630 ppm2      4.870 CV     1
 ASSI {  976}
   (( segid "SH3 " and resid 347  and name HB1 ))
   (( segid "SH3 " and resid 347  and name HA  ))
      2.800     1.300     1.300 peak   976 weight  0.10000E+01 volume  0.34138E-02 ppm1      2.900 ppm2      4.870 CV     1
 ASSI { 1627}
   (( segid "SH3 " and resid 347  and name HB2 ))
   (  segid "SH3 " and resid 321  and name HD1%)
      3.600     2.000     2.000 peak  1627 weight  0.10000E+01 volume  0.93390E-03 ppm1      2.630 ppm2      0.660 CV     1
 ASSI {  974}
   (( segid "SH3 " and resid 347  and name HB1 ))
   (( segid "SH3 " and resid 347  and name HD22))
      4.800     2.400     1.200 peak   974 weight  0.10000E+01 volume  0.49540E-03 ppm1      2.890 ppm2      6.910 CV     1
 ASSI {  472}
   (( segid "SH3 " and resid 322  and name HB2 ))
   (  segid "SH3 " and resid 315  and name HB% )
      4.500     2.200     1.500 peak   472 weight  0.10000E+01 volume  0.64939E-03 ppm1      3.850 ppm2      1.290 CV     1
 ASSI {  463}
   (( segid "SH3 " and resid 322  and name HB2 ))
   (( segid "SH3 " and resid 323  and name HN  ))
      4.000     2.000     2.000 peak   463 weight  0.10000E+01 volume  0.83676E-03 ppm1      3.840 ppm2      9.010 CV     1
 ASSI {  465}
   (( segid "SH3 " and resid 322  and name HB1 ))
   (( segid "SH3 " and resid 315  and name HN  ))
      3.300     2.300     2.300 peak   465 weight  0.10000E+01 volume  0.59544E-03 ppm1      4.030 ppm2      8.310 CV     1
 ASSI {  464}
   (( segid "SH3 " and resid 322  and name HB1 ))
   (( segid "SH3 " and resid 323  and name HN  ))
      4.000     1.900     1.900 peak   464 weight  0.10000E+01 volume  0.11183E-02 ppm1      4.030 ppm2      9.010 CV     1
 ASSI {  469}
   (( segid "SH3 " and resid 322  and name HB2 ))
   (( segid "SH3 " and resid 322  and name HA  ))
      2.900     1.600     1.600 peak   469 weight  0.10000E+01 volume  0.19914E-02 ppm1      3.840 ppm2      5.060 CV     1
 ASSI {  473}
   (( segid "SH3 " and resid 322  and name HB1 ))
   (  segid "SH3 " and resid 314  and name HG2%)
      3.800     2.100     2.100 peak   473 weight  0.10000E+01 volume  0.79362E-03 ppm1      4.030 ppm2      0.850 CV     1
 ASSI { 1096}
   (( segid "SH3 " and resid 354  and name HB1 ))
   (  segid "SH3 " and resid 334  and name HD% )
      4.000     2.400     2.000 peak  1096 weight  0.10000E+01 volume  0.51502E-03 ppm1      3.820 ppm2      7.100 CV     1
 OR { 1096}
   (( segid "SH3 " and resid 354  and name HB2 ))
   (  segid "SH3 " and resid 334  and name HD% )
 ASSI { 1545}
   (( segid "SH3 " and resid 361  and name HB2 ))
   (  segid "SH3 " and resid 360  and name HG2%)
      3.400     2.600     2.600 peak  1545 weight  0.10000E+01 volume  0.37964E-03 ppm1      2.710 ppm2      0.820 CV     1
 ASSI { 1546}
   (( segid "SH3 " and resid 361  and name HB1 ))
   (( segid "SH3 " and resid 361  and name HA  ))
      2.800     1.300     1.300 peak  1546 weight  0.10000E+01 volume  0.39436E-02 ppm1      2.780 ppm2      4.760 CV     1
 ASSI { 1544}
   (( segid "SH3 " and resid 361  and name HB1 ))
   (  segid "SH3 " and resid 360  and name HG2%)
      3.300     2.500     2.500 peak  1544 weight  0.10000E+01 volume  0.43948E-03 ppm1      2.780 ppm2      0.840 CV     1
 ASSI { 1547}
   (( segid "SH3 " and resid 361  and name HB2 ))
   (( segid "SH3 " and resid 361  and name HA  ))
      2.500     1.200     1.200 peak  1547 weight  0.10000E+01 volume  0.52875E-02 ppm1      2.700 ppm2      4.760 CV     1
 ASSI {  641}
   (( segid "SH3 " and resid 360  and name HA  ))
   (( segid "SH3 " and resid 360  and name HB  ))
      2.600     1.300     1.300 peak   641 weight  0.10000E+01 volume  0.34236E-02 ppm1      3.930 ppm2      1.860 CV     1
 ASSI {  645}
   (( segid "SH3 " and resid 360  and name HA  ))
   (  segid "SH3 " and resid 360  and name HG2%)
      2.400     1.000     1.000 peak   645 weight  0.10000E+01 volume  0.82108E-02 ppm1      3.930 ppm2      0.820 CV     1
 ASSI {  642}
   (( segid "SH3 " and resid 331  and name HA  ))
   (( segid "SH3 " and resid 331  and name HB  ))
      2.900     1.600     1.600 peak   642 weight  0.10000E+01 volume  0.17167E-02 ppm1      3.950 ppm2      1.540 CV     1
 ASSI {  639}
   (( segid "SH3 " and resid 331  and name HA  ))
   (( segid "SH3 " and resid 333  and name HN  ))
      3.600     1.900     1.900 peak   639 weight  0.10000E+01 volume  0.11183E-02 ppm1      3.950 ppm2      6.990 CV     1
 ASSI {  644}
   (( segid "SH3 " and resid 331  and name HA  ))
   (  segid "SH3 " and resid 343  and name HB% )
      3.700     1.600     1.600 peak   644 weight  0.10000E+01 volume  0.19914E-02 ppm1      3.950 ppm2      1.080 CV     1
 ASSI {  640}
   (( segid "SH3 " and resid 331  and name HA  ))
   (( segid "SH3 " and resid 343  and name HA  ))
      2.200     1.200     1.200 peak   640 weight  0.10000E+01 volume  0.43850E-02 ppm1      3.950 ppm2      5.190 CV     1
 ASSI { 1143}
   (  segid "SH3 " and resid 357  and name HD1%)
   (( segid "SH3 " and resid 309  and name HA  ))
      4.900     2.100     1.100 peak  1143 weight  0.10000E+01 volume  0.78972E-03 ppm1      0.220 ppm2      4.720 CV     1
 ASSI { 1519}
   (  segid "SH3 " and resid 357  and name HD1%)
   (( segid "SH3 " and resid 331  and name HB  ))
      3.700     1.700     1.700 peak  1519 weight  0.10000E+01 volume  0.16285E-02 ppm1      0.220 ppm2      1.550 CV     1
 ASSI {  635}
   (( segid "SH3 " and resid 331  and name HA  ))
   (( segid "SH3 " and resid 343  and name HN  ))
      4.800     2.700     1.200 peak   635 weight  0.10000E+01 volume  0.33648E-03 ppm1      3.950 ppm2      9.020 CV     1
 ASSI {  643}
   (( segid "SH3 " and resid 331  and name HA  ))
   (( segid "SH3 " and resid 342  and name HB1 ))
      3.500     1.900     1.900 peak   643 weight  0.10000E+01 volume  0.10693E-02 ppm1      3.960 ppm2      1.320 CV     1
 ASSI { 1141}
   (  segid "SH3 " and resid 357  and name HD1%)
   (  segid "SH3 " and resid 307  and name HD% )
      2.600     1.400     1.400 peak  1141 weight  0.10000E+01 volume  0.30116E-02 ppm1      0.230 ppm2      6.920 CV     1
 ASSI { 1148}
   (  segid "SH3 " and resid 357  and name HD1%)
   (( segid "SH3 " and resid 357  and name HB  ))
      2.300     1.200     1.200 peak  1148 weight  0.10000E+01 volume  0.53169E-02 ppm1      0.220 ppm2      1.720 CV     1
 ASSI { 1150}
   (  segid "SH3 " and resid 357  and name HD1%)
   (  segid "SH3 " and resid 331  and name HG2%)
      2.200     1.000     1.000 peak  1150 weight  0.10000E+01 volume  0.81321E-02 ppm1      0.230 ppm2     -0.090 CV     1
 ASSI { 1137}
   (  segid "SH3 " and resid 357  and name HD1%)
   (( segid "SH3 " and resid 308  and name HN  ))
      4.300     2.200     1.700 peak  1137 weight  0.10000E+01 volume  0.68471E-03 ppm1      0.230 ppm2      9.450 CV     1
 ASSI { 1144}
   (  segid "SH3 " and resid 357  and name HD1%)
   (( segid "SH3 " and resid 354  and name HA  ))
      3.000     1.500     1.500 peak  1144 weight  0.10000E+01 volume  0.23053E-02 ppm1      0.220 ppm2      3.980 CV     1
 ASSI { 1140}
   (  segid "SH3 " and resid 357  and name HD1%)
   (  segid "SH3 " and resid 307  and name HE% )
      3.100     1.500     1.500 peak  1140 weight  0.10000E+01 volume  0.24623E-02 ppm1      0.230 ppm2      7.340 CV     1
 ASSI { 1145}
   (  segid "SH3 " and resid 357  and name HD1%)
   (( segid "SH3 " and resid 307  and name HB1 ))
      3.000     1.400     1.400 peak  1145 weight  0.10000E+01 volume  0.25506E-02 ppm1      0.220 ppm2      2.710 CV     1
 OR { 1145}
   (  segid "SH3 " and resid 357  and name HD1%)
   (( segid "SH3 " and resid 307  and name HB2 ))
 ASSI {   11}
   (( segid "SH3 " and resid 305  and name HB2 ))
   (( segid "SH3 " and resid 331  and name HN  ))
      3.900     2.000     2.000 peak    11 weight  0.10000E+01 volume  0.88487E-03 ppm1      2.930 ppm2      8.560 CV     1
 ASSI {   20}
   (( segid "SH3 " and resid 305  and name HB1 ))
   (( segid "SH3 " and resid 331  and name HB  ))
      4.000     2.300     2.000 peak    20 weight  0.10000E+01 volume  0.56112E-03 ppm1      3.090 ppm2      1.570 CV     1
 ASSI {   14}
   (( segid "SH3 " and resid 305  and name HB2 ))
   (  segid "SH3 " and resid 307  and name HE% )
      5.000     2.600     1.000 peak    14 weight  0.10000E+01 volume  0.39141E-03 ppm1      2.930 ppm2      7.340 CV     1
 ASSI {   16}
   (( segid "SH3 " and resid 305  and name HB2 ))
   (( segid "SH3 " and resid 305  and name HA  ))
      3.100     1.400     1.400 peak    16 weight  0.10000E+01 volume  0.27369E-02 ppm1      2.930 ppm2      4.910 CV     1
 ASSI { 1136}
   (  segid "SH3 " and resid 357  and name HD1%)
   (( segid "SH3 " and resid 307  and name HA  ))
      4.600     2.200     1.400 peak  1136 weight  0.10000E+01 volume  0.68081E-03 ppm1      0.230 ppm2      5.230 CV     1
 ASSI {    8}
   (( segid "SH3 " and resid 305  and name HB1 ))
   (  segid "SH3 " and resid 307  and name HE% )
      4.800     2.500     1.200 peak     8 weight  0.10000E+01 volume  0.40613E-03 ppm1      3.080 ppm2      7.320 CV     1
 ASSI {   10}
   (( segid "SH3 " and resid 305  and name HB1 ))
   (( segid "SH3 " and resid 305  and name HD22))
      5.200     2.700     0.800 peak    10 weight  0.10000E+01 volume  0.32471E-03 ppm1      3.080 ppm2      6.990 CV     1
 ASSI {    9}
   (( segid "SH3 " and resid 305  and name HB2 ))
   (( segid "SH3 " and resid 305  and name HD22))
      4.700     2.300     1.300 peak     9 weight  0.10000E+01 volume  0.53954E-03 ppm1      2.920 ppm2      7.000 CV     1
 ASSI {  740}
   (( segid "SH3 " and resid 353  and name HA  ))
   (( segid "SH3 " and resid 353  and name HG1 ))
      3.000     2.100     2.100 peak   740 weight  0.10000E+01 volume  0.78774E-03 ppm1      3.550 ppm2      0.420 CV     1
 ASSI { 1054}
   (( segid "SH3 " and resid 353  and name HA  ))
   (( segid "SH3 " and resid 352  and name HA  ))
      4.300     2.600     1.700 peak  1054 weight  0.10000E+01 volume  0.36297E-03 ppm1      3.550 ppm2      4.820 CV     1
 ASSI {  741}
   (( segid "SH3 " and resid 353  and name HA  ))
   (( segid "SH3 " and resid 353  and name HG2 ))
      3.700     1.900     1.900 peak   741 weight  0.10000E+01 volume  0.11183E-02 ppm1      3.550 ppm2      0.240 CV     1
 ASSI { 1055}
   (( segid "SH3 " and resid 353  and name HA  ))
   (( segid "SH3 " and resid 354  and name HA  ))
      4.100     2.300     1.900 peak  1055 weight  0.10000E+01 volume  0.59646E-03 ppm1      3.550 ppm2      3.960 CV     1
 ASSI {  739}
   (( segid "SH3 " and resid 353  and name HA  ))
   (( segid "SH3 " and resid 353  and name HB1 ))
      2.200     1.300     1.300 peak   739 weight  0.10000E+01 volume  0.40417E-02 ppm1      3.550 ppm2      1.330 CV     1
 OR {  739}
   (( segid "SH3 " and resid 353  and name HA  ))
   (( segid "SH3 " and resid 353  and name HB2 ))
 ASSI { 1053}
   (( segid "SH3 " and resid 353  and name HA  ))
   (( segid "SH3 " and resid 340  and name HA  ))
      2.400     1.300     1.300 peak  1053 weight  0.10000E+01 volume  0.40417E-02 ppm1      3.550 ppm2      5.070 CV     1
 ASSI {  377}
   (( segid "SH3 " and resid 319  and name HB2 ))
   (( segid "SH3 " and resid 351  and name HD1 ))
      3.800     1.700     1.700 peak   377 weight  0.10000E+01 volume  0.14518E-02 ppm1      3.000 ppm2      7.460 CV     1
 ASSI {  383}
   (( segid "SH3 " and resid 319  and name HB2 ))
   (  segid "SH3 " and resid 320  and name HG2%)
      5.200     2.500     0.800 peak   383 weight  0.10000E+01 volume  0.41103E-03 ppm1      2.990 ppm2      1.290 CV     1
 ASSI {  386}
   (( segid "SH3 " and resid 319  and name HB2 ))
   (( segid "SH3 " and resid 319  and name HA  ))
      2.700     1.400     1.400 peak   386 weight  0.10000E+01 volume  0.25015E-02 ppm1      3.000 ppm2      4.790 CV     1
 ASSI {  382}
   (( segid "SH3 " and resid 319  and name HB1 ))
   (  segid "SH3 " and resid 320  and name HG2%)
      4.200     2.200     1.800 peak   382 weight  0.10000E+01 volume  0.61605E-03 ppm1      3.240 ppm2      1.280 CV     1
 ASSI {  380}
   (( segid "SH3 " and resid 319  and name HB2 ))
   (( segid "SH3 " and resid 319  and name HD22))
      4.300     2.600     1.700 peak   380 weight  0.10000E+01 volume  0.38259E-03 ppm1      3.000 ppm2      6.830 CV     1
 ASSI {  376}
   (( segid "SH3 " and resid 319  and name HB1 ))
   (( segid "SH3 " and resid 351  and name HD1 ))
      2.300     1.400     1.400 peak   376 weight  0.10000E+01 volume  0.25702E-02 ppm1      3.240 ppm2      7.450 CV     1
 ASSI {  385}
   (( segid "SH3 " and resid 337  and name HB1 ))
   (( segid "SH3 " and resid 337  and name HA  ))
      2.500     1.100     1.100 peak   385 weight  0.10000E+01 volume  0.64939E-02 ppm1      3.230 ppm2      4.780 CV     1
 ASSI { 1202}
   (( segid "SH3 " and resid 353  and name HA  ))
   (( segid "SH3 " and resid 340  and name HH2 ))
      3.700     2.100     2.100 peak  1202 weight  0.10000E+01 volume  0.71805E-03 ppm1      3.550 ppm2      7.320 CV     1
 ASSI { 1106}
   (( segid "SH3 " and resid 337  and name HB1 ))
   (( segid "SH3 " and resid 337  and name HB2 ))
      1.800     0.900     0.900 peak  1106 weight  0.10000E+01 volume  0.10300E-01 ppm1      3.220 ppm2      2.470 CV     1
 ASSI { 1102}
   (( segid "SH3 " and resid 356  and name HB1 ))
   (  segid "SH3 " and resid 356  and name HD% )
      2.700     1.600     1.600 peak  1102 weight  0.10000E+01 volume  0.17658E-02 ppm1      3.330 ppm2      7.030 CV     1
 ASSI {  250}
   (  segid "SH3 " and resid 311  and name HD% )
   (( segid "SH3 " and resid 356  and name HB1 ))
      4.100     2.500     1.900 peak   250 weight  0.10000E+01 volume  0.41300E-03 ppm1      6.570 ppm2      3.350 CV     1
 ASSI { 1497}
   (( segid "SH3 " and resid 356  and name HB1 ))
   (  segid "SH3 " and resid 323  and name HD1%)
      3.300     2.100     2.100 peak  1497 weight  0.10000E+01 volume  0.72790E-03 ppm1      3.340 ppm2      0.840 CV     1
 ASSI { 1109}
   (( segid "SH3 " and resid 356  and name HB2 ))
   (  segid "SH3 " and resid 323  and name HD1%)
      3.800     2.200     2.200 peak  1109 weight  0.10000E+01 volume  0.65630E-03 ppm1      3.190 ppm2      0.850 CV     1
 ASSI {  252}
   (  segid "SH3 " and resid 311  and name HD% )
   (  segid "SH3 " and resid 310  and name HD2%)
      4.200     2.100     1.800 peak   252 weight  0.10000E+01 volume  0.71511E-03 ppm1      6.580 ppm2      0.660 CV     1
 ASSI {  253}
   (  segid "SH3 " and resid 311  and name HD% )
   (( segid "SH3 " and resid 310  and name HB2 ))
      3.600     2.400     2.400 peak   253 weight  0.10000E+01 volume  0.48362E-03 ppm1      6.580 ppm2      0.470 CV     1
 ASSI {  257}
   (  segid "SH3 " and resid 311  and name HD% )
   (( segid "SH3 " and resid 311  and name HA  ))
      2.800     1.300     1.300 peak   257 weight  0.10000E+01 volume  0.36787E-02 ppm1      6.580 ppm2      4.750 CV     1
 ASSI {  254}
   (  segid "SH3 " and resid 311  and name HD% )
   (( segid "SH3 " and resid 310  and name HB1 ))
      3.700     2.100     2.100 peak   254 weight  0.10000E+01 volume  0.79068E-03 ppm1      6.590 ppm2      0.950 CV     1
 ASSI { 1604}
   (  segid "SH3 " and resid 311  and name HD% )
   (( segid "SH3 " and resid 310  and name HA  ))
      5.000     2.700     1.000 peak  1604 weight  0.10000E+01 volume  0.31882E-03 ppm1      6.610 ppm2      3.940 CV     1
 ASSI {  481}
   (  segid "SH3 " and resid 323  and name HD1%)
   (  segid "SH3 " and resid 356  and name HD% )
      3.500     1.800     1.800 peak   481 weight  0.10000E+01 volume  0.12556E-02 ppm1      0.840 ppm2      7.000 CV     1
 ASSI {  478}
   (  segid "SH3 " and resid 323  and name HD1%)
   (( segid "SH3 " and resid 313  and name HN  ))
      3.200     1.700     1.700 peak   478 weight  0.10000E+01 volume  0.15304E-02 ppm1      0.850 ppm2      8.930 CV     1
 ASSI {  477}
   (  segid "SH3 " and resid 323  and name HD1%)
   (( segid "SH3 " and resid 323  and name HN  ))
      4.100     1.700     1.700 peak   477 weight  0.10000E+01 volume  0.15304E-02 ppm1      0.850 ppm2      9.000 CV     1
 ASSI {  485}
   (  segid "SH3 " and resid 323  and name HD1%)
   (( segid "SH3 " and resid 313  and name HB1 ))
      3.100     1.600     1.600 peak   485 weight  0.10000E+01 volume  0.17952E-02 ppm1      0.850 ppm2      3.040 CV     1
 ASSI {  483}
   (  segid "SH3 " and resid 323  and name HD1%)
   (( segid "SH3 " and resid 309  and name HA  ))
      3.700     1.700     1.700 peak   483 weight  0.10000E+01 volume  0.14126E-02 ppm1      0.840 ppm2      4.690 CV     1
 ASSI {  480}
   (  segid "SH3 " and resid 323  and name HD1%)
   (  segid "SH3 " and resid 313  and name HD% )
      4.300     1.900     1.700 peak   480 weight  0.10000E+01 volume  0.95648E-03 ppm1      0.840 ppm2      7.380 CV     1
 ASSI {  487}
   (  segid "SH3 " and resid 323  and name HD1%)
   (( segid "SH3 " and resid 327  and name HG2 ))
      4.300     2.100     1.700 peak   487 weight  0.10000E+01 volume  0.80540E-03 ppm1      0.840 ppm2      2.090 CV     1
 OR {  487}
   (  segid "SH3 " and resid 323  and name HD1%)
   (( segid "SH3 " and resid 327  and name HG1 ))
 ASSI {  491}
   (  segid "SH3 " and resid 323  and name HD1%)
   (  segid "SH3 " and resid 357  and name HG2%)
      2.300     1.000     1.000 peak   491 weight  0.10000E+01 volume  0.89761E-02 ppm1      0.840 ppm2      0.630 CV     1
 ASSI {  484}
   (  segid "SH3 " and resid 323  and name HD1%)
   (( segid "SH3 " and resid 313  and name HB2 ))
      3.000     1.500     1.500 peak   484 weight  0.10000E+01 volume  0.24328E-02 ppm1      0.840 ppm2      3.180 CV     1
 ASSI {  479}
   (  segid "SH3 " and resid 323  and name HD1%)
   (( segid "SH3 " and resid 309  and name HN  ))
      4.600     2.400     1.400 peak   479 weight  0.10000E+01 volume  0.51992E-03 ppm1      0.840 ppm2      8.360 CV     1
 ASSI {  486}
   (  segid "SH3 " and resid 323  and name HD1%)
   (( segid "SH3 " and resid 327  and name HB1 ))
      3.900     2.600     2.100 peak   486 weight  0.10000E+01 volume  0.39436E-03 ppm1      0.850 ppm2      2.520 CV     1
 ASSI {  476}
   (  segid "SH3 " and resid 323  and name HD1%)
   (( segid "SH3 " and resid 310  and name HN  ))
      4.300     2.300     1.700 peak   476 weight  0.10000E+01 volume  0.56210E-03 ppm1      0.850 ppm2      9.490 CV     1
 ASSI {  398}
   (( segid "SH3 " and resid 320  and name HA  ))
   (  segid "SH3 " and resid 352  and name HG1%)
      4.100     2.400     1.900 peak   398 weight  0.10000E+01 volume  0.45616E-03 ppm1      5.150 ppm2      0.970 CV     1
 ASSI {  898}
   (( segid "SH3 " and resid 320  and name HA  ))
   (( segid "SH3 " and resid 351  and name HD1 ))
      4.000     1.900     1.900 peak   898 weight  0.10000E+01 volume  0.10202E-02 ppm1      5.150 ppm2      7.470 CV     1
 ASSI {  391}
   (( segid "SH3 " and resid 320  and name HA  ))
   (( segid "SH3 " and resid 351  and name HA  ))
      4.500     2.400     1.500 peak   391 weight  0.10000E+01 volume  0.46302E-03 ppm1      5.130 ppm2      5.440 CV     1
 ASSI {  899}
   (( segid "SH3 " and resid 320  and name HA  ))
   (( segid "SH3 " and resid 351  and name HB2 ))
      2.400     1.600     1.600 peak   899 weight  0.10000E+01 volume  0.17854E-02 ppm1      5.150 ppm2      2.860 CV     1
 ASSI {  332}
   (( segid "SH3 " and resid 314  and name HA  ))
   (( segid "SH3 " and resid 322  and name HN  ))
      5.300     2.700     0.700 peak   332 weight  0.10000E+01 volume  0.32078E-03 ppm1      4.050 ppm2      8.100 CV     1
 ASSI { 1277}
   (( segid "SH3 " and resid 320  and name HA  ))
   (( segid "SH3 " and resid 321  and name HB1 ))
      4.100     2.200     1.900 peak  1277 weight  0.10000E+01 volume  0.66116E-03 ppm1      5.140 ppm2      1.570 CV     1
 ASSI {  338}
   (( segid "SH3 " and resid 314  and name HA  ))
   (  segid "SH3 " and resid 314  and name HG1%)
      2.400     1.000     1.000 peak   338 weight  0.10000E+01 volume  0.79266E-02 ppm1      4.040 ppm2      0.840 CV     1
 ASSI {  336}
   (( segid "SH3 " and resid 314  and name HA  ))
   (( segid "SH3 " and resid 314  and name HB  ))
      3.000     1.500     1.500 peak   336 weight  0.10000E+01 volume  0.21091E-02 ppm1      4.030 ppm2      1.730 CV     1
 ASSI {  334}
   (( segid "SH3 " and resid 314  and name HA  ))
   (( segid "SH3 " and resid 322  and name HA  ))
      2.900     1.600     1.600 peak   334 weight  0.10000E+01 volume  0.18933E-02 ppm1      4.030 ppm2      5.050 CV     1
 ASSI {  337}
   (( segid "SH3 " and resid 314  and name HA  ))
   (  segid "SH3 " and resid 315  and name HB% )
      4.000     1.700     1.700 peak   337 weight  0.10000E+01 volume  0.13930E-02 ppm1      4.030 ppm2      1.290 CV     1
 ASSI {  780}
   (( segid "SH3 " and resid 339  and name HB2 ))
   (( segid "SH3 " and resid 339  and name HA  ))
      3.100     1.400     1.400 peak   780 weight  0.10000E+01 volume  0.25800E-02 ppm1      2.150 ppm2      4.060 CV     1
 ASSI {  707}
   (  segid "SH3 " and resid 334  and name HD% )
   (( segid "SH3 " and resid 341  and name HA  ))
      3.900     2.300     2.100 peak   707 weight  0.10000E+01 volume  0.59743E-03 ppm1      7.090 ppm2      5.120 CV     1
 ASSI {  708}
   (  segid "SH3 " and resid 334  and name HD% )
   (( segid "SH3 " and resid 338  and name HA1 ))
      4.400     2.100     1.600 peak   708 weight  0.10000E+01 volume  0.73277E-03 ppm1      7.090 ppm2      4.230 CV     1
 ASSI {  709}
   (  segid "SH3 " and resid 334  and name HD% )
   (( segid "SH3 " and resid 333  and name HA2 ))
      3.500     2.000     2.000 peak   709 weight  0.10000E+01 volume  0.83874E-03 ppm1      7.090 ppm2      3.910 CV     1
 ASSI {  711}
   (  segid "SH3 " and resid 334  and name HD% )
   (( segid "SH3 " and resid 334  and name HB1 ))
      2.900     1.500     1.500 peak   711 weight  0.10000E+01 volume  0.21287E-02 ppm1      7.090 ppm2      3.280 CV     1
 ASSI {  325}
   (( segid "SH3 " and resid 354  and name HA  ))
   (( segid "SH3 " and resid 353  and name HB2 ))
      3.400     1.700     1.700 peak   325 weight  0.10000E+01 volume  0.15990E-02 ppm1      3.990 ppm2      1.310 CV     1
 OR {  325}
   (( segid "SH3 " and resid 354  and name HA  ))
   (( segid "SH3 " and resid 353  and name HB1 ))
 ASSI {  321}
   (( segid "SH3 " and resid 354  and name HA  ))
   (( segid "SH3 " and resid 357  and name HN  ))
      4.200     2.300     1.800 peak   321 weight  0.10000E+01 volume  0.53562E-03 ppm1      3.980 ppm2      7.350 CV     1
 ASSI {  324}
   (( segid "SH3 " and resid 354  and name HA  ))
   (( segid "SH3 " and resid 341  and name HB2 ))
      3.300     2.200     2.200 peak   324 weight  0.10000E+01 volume  0.60133E-03 ppm1      3.990 ppm2      2.200 CV     1
 ASSI {  322}
   (( segid "SH3 " and resid 354  and name HA  ))
   (  segid "SH3 " and resid 334  and name HE% )
      4.100     2.200     1.900 peak   322 weight  0.10000E+01 volume  0.63762E-03 ppm1      3.990 ppm2      6.720 CV     1
 ASSI {  327}
   (( segid "SH3 " and resid 354  and name HA  ))
   (  segid "SH3 " and resid 357  and name HG2%)
      4.500     2.100     1.500 peak   327 weight  0.10000E+01 volume  0.70730E-03 ppm1      3.990 ppm2      0.610 CV     1
 ASSI {  714}
   (  segid "SH3 " and resid 334  and name HD% )
   (  segid "SH3 " and resid 357  and name HD1%)
      4.300     2.300     1.700 peak   714 weight  0.10000E+01 volume  0.54739E-03 ppm1      7.090 ppm2      0.270 CV     1
 ASSI { 1495}
   (( segid "SH3 " and resid 355  and name HB2 ))
   (( segid "SH3 " and resid 355  and name HA  ))
      2.800     1.200     1.200 peak  1495 weight  0.10000E+01 volume  0.43065E-02 ppm1      2.790 ppm2      4.850 CV     1
 ASSI {  586}
   (( segid "SH3 " and resid 327  and name HB2 ))
   (( segid "SH3 " and resid 324  and name HA  ))
      4.000     2.400     2.000 peak   586 weight  0.10000E+01 volume  0.49442E-03 ppm1      2.320 ppm2      4.920 CV     1
 ASSI {  588}
   (( segid "SH3 " and resid 327  and name HB1 ))
   (( segid "SH3 " and resid 327  and name HG2 ))
      2.500     1.300     1.300 peak   588 weight  0.10000E+01 volume  0.40319E-02 ppm1      2.510 ppm2      2.100 CV     1
 OR {  588}
   (( segid "SH3 " and resid 327  and name HB1 ))
   (( segid "SH3 " and resid 327  and name HG1 ))
 ASSI {  594}
   (( segid "SH3 " and resid 327  and name HB2 ))
   (  segid "SH3 " and resid 323  and name HG2%)
      4.800     2.400     1.200 peak   594 weight  0.10000E+01 volume  0.47087E-03 ppm1      2.320 ppm2      0.850 CV     1
 ASSI {  582}
   (( segid "SH3 " and resid 327  and name HB1 ))
   (( segid "SH3 " and resid 327  and name HA  ))
      3.300     1.700     1.700 peak   582 weight  0.10000E+01 volume  0.15009E-02 ppm1      2.510 ppm2      4.290 CV     1
 ASSI {  590}
   (( segid "SH3 " and resid 327  and name HB1 ))
   (  segid "SH3 " and resid 309  and name HB% )
      3.300     2.000     2.000 peak   590 weight  0.10000E+01 volume  0.83580E-03 ppm1      2.510 ppm2      1.560 CV     1
 ASSI { 1311}
   (( segid "SH3 " and resid 327  and name HB1 ))
   (  segid "SH3 " and resid 329  and name HD1%)
      4.000     2.400     2.000 peak  1311 weight  0.10000E+01 volume  0.46400E-03 ppm1      2.510 ppm2      0.650 CV     1
 ASSI { 1312}
   (( segid "SH3 " and resid 327  and name HB2 ))
   (  segid "SH3 " and resid 329  and name HD1%)
      5.100     2.400     0.900 peak  1312 weight  0.10000E+01 volume  0.46205E-03 ppm1      2.330 ppm2      0.630 CV     1
 ASSI {  576}
   (( segid "SH3 " and resid 327  and name HB1 ))
   (( segid "SH3 " and resid 324  and name HA  ))
      4.700     2.700     1.300 peak   576 weight  0.10000E+01 volume  0.31490E-03 ppm1      2.470 ppm2      4.920 CV     1
 ASSI {  852}
   (( segid "SH3 " and resid 342  and name HB2 ))
   (( segid "SH3 " and resid 342  and name HG2 ))
      3.100     1.500     1.500 peak   852 weight  0.10000E+01 volume  0.20699E-02 ppm1      0.710 ppm2      9.530 CV     1
 ASSI {  851}
   (( segid "SH3 " and resid 342  and name HB1 ))
   (( segid "SH3 " and resid 342  and name HG2 ))
      2.700     1.600     1.600 peak   851 weight  0.10000E+01 volume  0.18737E-02 ppm1      1.290 ppm2      9.530 CV     1
 ASSI {  863}
   (( segid "SH3 " and resid 342  and name HB1 ))
   (( segid "SH3 " and resid 349  and name HB2 ))
      4.000     2.000     2.000 peak   863 weight  0.10000E+01 volume  0.88680E-03 ppm1      1.290 ppm2      2.110 CV     1
 OR {  863}
   (( segid "SH3 " and resid 342  and name HB1 ))
   (( segid "SH3 " and resid 349  and name HB1 ))
 ASSI {  864}
   (( segid "SH3 " and resid 342  and name HB2 ))
   (( segid "SH3 " and resid 342  and name HG1 ))
      2.700     1.400     1.400 peak   864 weight  0.10000E+01 volume  0.29430E-02 ppm1      0.720 ppm2      1.090 CV     1
 ASSI {  866}
   (( segid "SH3 " and resid 342  and name HB1 ))
   (  segid "SH3 " and resid 332  and name HD1%)
      2.900     1.600     1.600 peak   866 weight  0.10000E+01 volume  0.17461E-02 ppm1      1.290 ppm2      0.530 CV     1
 ASSI {  853}
   (( segid "SH3 " and resid 342  and name HB2 ))
   (( segid "SH3 " and resid 343  and name HN  ))
      4.200     1.800     1.800 peak   853 weight  0.10000E+01 volume  0.11575E-02 ppm1      0.710 ppm2      8.990 CV     1
 ASSI {  865}
   (( segid "SH3 " and resid 342  and name HB1 ))
   (( segid "SH3 " and resid 342  and name HG1 ))
      2.900     1.400     1.400 peak   865 weight  0.10000E+01 volume  0.26683E-02 ppm1      1.290 ppm2      1.090 CV     1
 ASSI {  862}
   (( segid "SH3 " and resid 342  and name HB2 ))
   (( segid "SH3 " and resid 349  and name HB2 ))
      4.400     2.200     1.600 peak   862 weight  0.10000E+01 volume  0.61214E-03 ppm1      0.710 ppm2      2.100 CV     1
 OR {  862}
   (( segid "SH3 " and resid 342  and name HB2 ))
   (( segid "SH3 " and resid 349  and name HB1 ))
 ASSI {  867}
   (( segid "SH3 " and resid 342  and name HB2 ))
   (  segid "SH3 " and resid 332  and name HD1%)
      4.200     1.900     1.800 peak   867 weight  0.10000E+01 volume  0.11085E-02 ppm1      0.710 ppm2      0.530 CV     1
 ASSI { 1549}
   (( segid "SH3 " and resid 362  and name HA  ))
   (( segid "SH3 " and resid 362  and name HB1 ))
      2.500     1.100     1.100 peak  1549 weight  0.10000E+01 volume  0.72004E-02 ppm1      4.180 ppm2      3.810 CV     1
 OR { 1549}
   (( segid "SH3 " and resid 362  and name HA  ))
   (( segid "SH3 " and resid 362  and name HB2 ))
 ASSI {  510}
   (( segid "SH3 " and resid 324  and name HA  ))
   (( segid "SH3 " and resid 325  and name HN  ))
      2.200     1.000     1.000 peak   510 weight  0.10000E+01 volume  0.89172E-02 ppm1      4.900 ppm2      8.930 CV     1
 ASSI {  512}
   (( segid "SH3 " and resid 324  and name HA  ))
   (  segid "SH3 " and resid 324  and name HG2%)
      2.700     1.300     1.300 peak   512 weight  0.10000E+01 volume  0.36002E-02 ppm1      4.900 ppm2      1.260 CV     1
 ASSI { 1169}
   (( segid "SH3 " and resid 362  and name HA  ))
   (( segid "SH3 " and resid 361  and name HA  ))
      5.000     2.500     1.000 peak  1169 weight  0.10000E+01 volume  0.44340E-03 ppm1      4.180 ppm2      4.770 CV     1
 ASSI {   86}
   (  segid "SH3 " and resid 307  and name HD% )
   (( segid "SH3 " and resid 359  and name HD1 ))
      3.900     2.600     2.100 peak    86 weight  0.10000E+01 volume  0.37964E-03 ppm1      6.910 ppm2      3.740 CV     1
 OR {   86}
   (  segid "SH3 " and resid 307  and name HD% )
   (( segid "SH3 " and resid 359  and name HD2 ))
 ASSI {   85}
   (  segid "SH3 " and resid 307  and name HD% )
   (  segid "SH3 " and resid 357  and name HG2%)
      5.000     2.400     1.000 peak    85 weight  0.10000E+01 volume  0.46205E-03 ppm1      6.920 ppm2      0.630 CV     1
 ASSI {  123}
   (( segid "SH3 " and resid 308  and name HB  ))
   (( segid "SH3 " and resid 329  and name HN  ))
      5.000     2.600     1.000 peak   123 weight  0.10000E+01 volume  0.35904E-03 ppm1      1.710 ppm2      9.150 CV     1
 ASSI {  743}
   (( segid "SH3 " and resid 336  and name HA  ))
   (( segid "SH3 " and resid 336  and name HB2 ))
      2.300     0.900     0.900 peak   743 weight  0.10000E+01 volume  0.12753E-01 ppm1      4.320 ppm2      3.160 CV     1
 OR {  743}
   (( segid "SH3 " and resid 336  and name HA  ))
   (( segid "SH3 " and resid 336  and name HB1 ))
 ASSI {  122}
   (( segid "SH3 " and resid 308  and name HB  ))
   (  segid "SH3 " and resid 308  and name HG2%)
      2.300     1.000     1.000 peak   122 weight  0.10000E+01 volume  0.78185E-02 ppm1      1.700 ppm2      0.800 CV     1
 ASSI {  118}
   (( segid "SH3 " and resid 308  and name HB  ))
   (( segid "SH3 " and resid 308  and name HA  ))
      2.300     1.200     1.200 peak   118 weight  0.10000E+01 volume  0.42967E-02 ppm1      1.700 ppm2      5.240 CV     1
 ASSI { 1126}
   (  segid "SH3 " and resid 356  and name HD% )
   (( segid "SH3 " and resid 356  and name HA  ))
      3.300     1.800     1.800 peak  1126 weight  0.10000E+01 volume  0.12164E-02 ppm1      7.020 ppm2      4.750 CV     1
 ASSI {  121}
   (( segid "SH3 " and resid 308  and name HB  ))
   (  segid "SH3 " and resid 358  and name HG2%)
      5.100     2.200     0.900 peak   121 weight  0.10000E+01 volume  0.62686E-03 ppm1      1.690 ppm2      1.090 CV     1
 ASSI { 1124}
   (  segid "SH3 " and resid 356  and name HD% )
   (  segid "SH3 " and resid 313  and name HD% )
      4.000     2.200     2.000 peak  1124 weight  0.10000E+01 volume  0.62392E-03 ppm1      7.020 ppm2      7.370 CV     1
 ASSI { 1128}
   (  segid "SH3 " and resid 356  and name HD% )
   (( segid "SH3 " and resid 356  and name HB2 ))
      2.800     1.500     1.500 peak  1128 weight  0.10000E+01 volume  0.21483E-02 ppm1      7.020 ppm2      3.180 CV     1
 ASSI { 1125}
   (  segid "SH3 " and resid 356  and name HD% )
   (  segid "SH3 " and resid 311  and name HD% )
      3.200     2.100     2.100 peak  1125 weight  0.10000E+01 volume  0.78677E-03 ppm1      7.020 ppm2      6.600 CV     1
 ASSI {  120}
   (( segid "SH3 " and resid 308  and name HB  ))
   (( segid "SH3 " and resid 307  and name HB1 ))
      5.000     2.800     1.000 peak   120 weight  0.10000E+01 volume  0.30705E-03 ppm1      1.700 ppm2      2.730 CV     1
 OR {  120}
   (( segid "SH3 " and resid 308  and name HB  ))
   (( segid "SH3 " and resid 307  and name HB2 ))
 ASSI {  119}
   (( segid "SH3 " and resid 308  and name HB  ))
   (( segid "SH3 " and resid 360  and name HA  ))
      4.100     2.800     1.900 peak   119 weight  0.10000E+01 volume  0.30214E-03 ppm1      1.700 ppm2      3.940 CV     1
 ASSI {  319}
   (  segid "SH3 " and resid 313  and name HE% )
   (( segid "SH3 " and resid 320  and name HB  ))
      2.900     2.300     2.300 peak   319 weight  0.10000E+01 volume  0.58860E-03 ppm1      7.490 ppm2      4.610 CV     1
 ASSI { 1117}
   (( segid "SH3 " and resid 357  and name HA  ))
   (( segid "SH3 " and resid 309  and name HN  ))
      4.700     2.500     1.300 peak  1117 weight  0.10000E+01 volume  0.42869E-03 ppm1      5.450 ppm2      8.370 CV     1
 ASSI { 1122}
   (( segid "SH3 " and resid 357  and name HA  ))
   (  segid "SH3 " and resid 357  and name HD1%)
      4.400     2.000     1.600 peak  1122 weight  0.10000E+01 volume  0.81910E-03 ppm1      5.420 ppm2      0.230 CV     1
 ASSI { 1120}
   (( segid "SH3 " and resid 357  and name HA  ))
   (( segid "SH3 " and resid 357  and name HB  ))
      2.400     1.300     1.300 peak  1120 weight  0.10000E+01 volume  0.39730E-02 ppm1      5.420 ppm2      1.730 CV     1
 ASSI { 1711}
   (  segid "SH3 " and resid 307  and name HD% )
   (( segid "SH3 " and resid 359  and name HA  ))
      3.600     2.400     2.400 peak  1711 weight  0.10000E+01 volume  0.49736E-03 ppm1      6.920 ppm2      3.840 CV     1
 ASSI { 1114}
   (( segid "SH3 " and resid 357  and name HA  ))
   (  segid "SH3 " and resid 309  and name HB% )
      4.100     1.800     1.800 peak  1114 weight  0.10000E+01 volume  0.11575E-02 ppm1      5.420 ppm2      1.560 CV     1
 ASSI { 1112}
   (( segid "SH3 " and resid 357  and name HA  ))
   (( segid "SH3 " and resid 309  and name HA  ))
      2.200     1.300     1.300 peak  1112 weight  0.10000E+01 volume  0.40417E-02 ppm1      5.420 ppm2      4.680 CV     1
 ASSI { 1113}
   (( segid "SH3 " and resid 357  and name HA  ))
   (( segid "SH3 " and resid 310  and name HA  ))
      4.500     2.200     1.500 peak  1113 weight  0.10000E+01 volume  0.65432E-03 ppm1      5.420 ppm2      3.920 CV     1
 ASSI { 1191}
   (( segid "SH3 " and resid 325  and name HA  ))
   (  segid "SH3 " and resid 310  and name HD1%)
      4.500     2.400     1.500 peak  1191 weight  0.10000E+01 volume  0.51305E-03 ppm1      3.280 ppm2      0.650 CV     1
 ASSI { 1248}
   (( segid "SH3 " and resid 308  and name HA  ))
   (( segid "SH3 " and resid 308  and name HN  ))
      2.700     1.600     1.600 peak  1248 weight  0.10000E+01 volume  0.17756E-02 ppm1      5.240 ppm2      9.440 CV     1
 ASSI {  542}
   (( segid "SH3 " and resid 325  and name HA  ))
   (( segid "SH3 " and resid 312  and name HN  ))
      4.700     2.500     1.300 peak   542 weight  0.10000E+01 volume  0.40809E-03 ppm1      3.270 ppm2      8.200 CV     1
 ASSI { 1249}
   (( segid "SH3 " and resid 308  and name HA  ))
   (( segid "SH3 " and resid 329  and name HN  ))
      3.000     1.700     1.700 peak  1249 weight  0.10000E+01 volume  0.15990E-02 ppm1      5.240 ppm2      9.150 CV     1
 ASSI {  543}
   (( segid "SH3 " and resid 325  and name HA  ))
   (( segid "SH3 " and resid 311  and name HA  ))
      3.900     2.100     2.100 peak   543 weight  0.10000E+01 volume  0.70141E-03 ppm1      3.280 ppm2      4.750 CV     1
 ASSI { 1301}
   (( segid "SH3 " and resid 325  and name HA  ))
   (  segid "SH3 " and resid 308  and name HG2%)
      4.500     2.100     1.500 peak  1301 weight  0.10000E+01 volume  0.74160E-03 ppm1      3.280 ppm2      0.820 CV     1
 ASSI {  533}
   (( segid "SH3 " and resid 325  and name HA  ))
   (( segid "SH3 " and resid 325  and name HN  ))
      2.100     0.900     0.900 peak   533 weight  0.10000E+01 volume  0.11772E-01 ppm1      3.280 ppm2      8.940 CV     1
 ASSI {  541}
   (( segid "SH3 " and resid 325  and name HA  ))
   (( segid "SH3 " and resid 325  and name HD2 ))
      3.600     1.300     1.300 peak   541 weight  0.10000E+01 volume  0.33354E-02 ppm1      3.280 ppm2      1.150 CV     1
 OR {  541}
   (( segid "SH3 " and resid 325  and name HA  ))
   (( segid "SH3 " and resid 325  and name HD1 ))
 ASSI {  115}
   (( segid "SH3 " and resid 308  and name HA  ))
   (  segid "SH3 " and resid 329  and name HD2%)
      3.500     1.400     1.400 peak   115 weight  0.10000E+01 volume  0.25506E-02 ppm1      5.250 ppm2      0.650 CV     1
 ASSI {  106}
   (( segid "SH3 " and resid 358  and name HA  ))
   (  segid "SH3 " and resid 307  and name HD% )
      3.200     1.800     1.800 peak   106 weight  0.10000E+01 volume  0.12949E-02 ppm1      5.270 ppm2      6.920 CV     1
 ASSI {  107}
   (( segid "SH3 " and resid 308  and name HA  ))
   (( segid "SH3 " and resid 309  and name HA  ))
      3.400     1.800     1.800 peak   107 weight  0.10000E+01 volume  0.12949E-02 ppm1      5.260 ppm2      4.720 CV     1
 ASSI {  536}
   (( segid "SH3 " and resid 325  and name HA  ))
   (( segid "SH3 " and resid 324  and name HA  ))
      3.900     2.100     2.100 peak   536 weight  0.10000E+01 volume  0.76419E-03 ppm1      3.280 ppm2      4.890 CV     1
 ASSI {  539}
   (( segid "SH3 " and resid 325  and name HA  ))
   (( segid "SH3 " and resid 325  and name HB2 ))
      2.400     1.300     1.300 peak   539 weight  0.10000E+01 volume  0.34727E-02 ppm1      3.280 ppm2      1.670 CV     1
 OR {  539}
   (( segid "SH3 " and resid 325  and name HA  ))
   (( segid "SH3 " and resid 325  and name HB1 ))
 ASSI {  537}
   (( segid "SH3 " and resid 325  and name HA  ))
   (( segid "SH3 " and resid 326  and name HA1 ))
      4.600     2.100     1.400 peak   537 weight  0.10000E+01 volume  0.71415E-03 ppm1      3.280 ppm2      4.380 CV     1
 ASSI {  538}
   (( segid "SH3 " and resid 325  and name HA  ))
   (( segid "SH3 " and resid 310  and name HA  ))
      4.200     2.300     1.800 peak   538 weight  0.10000E+01 volume  0.57586E-03 ppm1      3.280 ppm2      3.900 CV     1
 ASSI {  109}
   (( segid "SH3 " and resid 308  and name HA  ))
   (( segid "SH3 " and resid 307  and name HB1 ))
      3.800     2.300     2.200 peak   109 weight  0.10000E+01 volume  0.59544E-03 ppm1      5.230 ppm2      2.710 CV     1
 OR {  109}
   (( segid "SH3 " and resid 308  and name HA  ))
   (( segid "SH3 " and resid 307  and name HB2 ))
 ASSI {   99}
   (  segid "SH3 " and resid 307  and name HE% )
   (  segid "SH3 " and resid 307  and name HD% )
      2.500     1.300     1.300 peak    99 weight  0.10000E+01 volume  0.39141E-02 ppm1      7.340 ppm2      6.920 CV     1
 ASSI {  457}
   (( segid "SH3 " and resid 322  and name HA  ))
   (( segid "SH3 " and resid 313  and name HB1 ))
      5.400     2.300     0.600 peak   457 weight  0.10000E+01 volume  0.55720E-03 ppm1      5.060 ppm2      3.040 CV     1
 ASSI { 1418}
   (( segid "SH3 " and resid 339  and name HA  ))
   (( segid "SH3 " and resid 340  and name HN  ))
      2.900     1.400     1.400 peak  1418 weight  0.10000E+01 volume  0.27369E-02 ppm1      4.050 ppm2      8.320 CV     1
 ASSI {  454}
   (( segid "SH3 " and resid 322  and name HA  ))
   (( segid "SH3 " and resid 322  and name HB1 ))
      2.400     1.200     1.200 peak   454 weight  0.10000E+01 volume  0.46695E-02 ppm1      5.060 ppm2      4.030 CV     1
 ASSI {  452}
   (( segid "SH3 " and resid 322  and name HA  ))
   (  segid "SH3 " and resid 313  and name HD% )
      3.000     1.800     1.800 peak   452 weight  0.10000E+01 volume  0.12262E-02 ppm1      5.060 ppm2      7.390 CV     1
 ASSI {  462}
   (( segid "SH3 " and resid 322  and name HA  ))
   (  segid "SH3 " and resid 321  and name HD1%)
      4.600     2.300     1.400 peak   462 weight  0.10000E+01 volume  0.53856E-03 ppm1      5.060 ppm2      0.660 CV     1
 ASSI { 1197}
   (( segid "SH3 " and resid 322  and name HA  ))
   (( segid "SH3 " and resid 321  and name HG  ))
      3.500     2.100     2.100 peak  1197 weight  0.10000E+01 volume  0.79164E-03 ppm1      5.060 ppm2      1.440 CV     1
 ASSI {  456}
   (( segid "SH3 " and resid 322  and name HA  ))
   (( segid "SH3 " and resid 313  and name HB2 ))
      4.100     2.200     1.900 peak   456 weight  0.10000E+01 volume  0.62879E-03 ppm1      5.050 ppm2      3.200 CV     1
 ASSI {  451}
   (( segid "SH3 " and resid 322  and name HA  ))
   (  segid "SH3 " and resid 313  and name HE% )
      4.300     2.500     1.700 peak   451 weight  0.10000E+01 volume  0.41888E-03 ppm1      5.040 ppm2      7.530 CV     1
 ASSI { 1247}
   (  segid "SH3 " and resid 307  and name HE% )
   (( segid "SH3 " and resid 358  and name HA  ))
      5.000     2.700     1.000 peak  1247 weight  0.10000E+01 volume  0.31490E-03 ppm1      7.350 ppm2      5.260 CV     1
 ASSI { 1245}
   (  segid "SH3 " and resid 307  and name HE% )
   (( segid "SH3 " and resid 359  and name HB1 ))
      4.600     2.600     1.400 peak  1245 weight  0.10000E+01 volume  0.35806E-03 ppm1      7.340 ppm2      1.830 CV     1
 OR { 1245}
   (  segid "SH3 " and resid 307  and name HE% )
   (( segid "SH3 " and resid 359  and name HB2 ))
 ASSI {  971}
   (( segid "SH3 " and resid 346  and name HA  ))
   (( segid "SH3 " and resid 346  and name HB1 ))
      2.400     1.000     1.000 peak   971 weight  0.10000E+01 volume  0.75734E-02 ppm1      4.210 ppm2      1.890 CV     1
 OR {  971}
   (( segid "SH3 " and resid 346  and name HA  ))
   (( segid "SH3 " and resid 346  and name HB2 ))
 ASSI {  969}
   (( segid "SH3 " and resid 346  and name HA  ))
   (( segid "SH3 " and resid 346  and name HG2 ))
      3.300     1.700     1.700 peak   969 weight  0.10000E+01 volume  0.14126E-02 ppm1      4.210 ppm2      1.510 CV     1
 OR {  969}
   (( segid "SH3 " and resid 346  and name HA  ))
   (( segid "SH3 " and resid 346  and name HG1 ))
 ASSI {  970}
   (( segid "SH3 " and resid 346  and name HA  ))
   (( segid "SH3 " and resid 346  and name HD1 ))
      4.100     1.800     1.800 peak   970 weight  0.10000E+01 volume  0.11380E-02 ppm1      4.220 ppm2      1.720 CV     1
 OR {  970}
   (( segid "SH3 " and resid 346  and name HA  ))
   (( segid "SH3 " and resid 346  and name HD2 ))
 ASSI { 1244}
   (  segid "SH3 " and resid 307  and name HE% )
   (( segid "SH3 " and resid 359  and name HG1 ))
      3.600     2.200     2.200 peak  1244 weight  0.10000E+01 volume  0.61509E-03 ppm1      7.330 ppm2      1.620 CV     1
 OR { 1244}
   (  segid "SH3 " and resid 307  and name HE% )
   (( segid "SH3 " and resid 359  and name HG2 ))
 ASSI { 1243}
   (  segid "SH3 " and resid 307  and name HE% )
   (( segid "SH3 " and resid 359  and name HA  ))
      3.900     2.200     2.100 peak  1243 weight  0.10000E+01 volume  0.63762E-03 ppm1      7.340 ppm2      3.850 CV     1
 ASSI { 1024}
   (( segid "SH3 " and resid 352  and name HB  ))
   (( segid "SH3 " and resid 352  and name HA  ))
      2.400     1.400     1.400 peak  1024 weight  0.10000E+01 volume  0.25898E-02 ppm1      1.700 ppm2      4.800 CV     1
 ASSI { 1026}
   (( segid "SH3 " and resid 352  and name HB  ))
   (  segid "SH3 " and resid 323  and name HD1%)
      3.100     1.700     1.700 peak  1026 weight  0.10000E+01 volume  0.15990E-02 ppm1      1.700 ppm2      0.850 CV     1
 ASSI { 1023}
   (( segid "SH3 " and resid 352  and name HB  ))
   (  segid "SH3 " and resid 313  and name HD% )
      4.600     2.500     1.400 peak  1023 weight  0.10000E+01 volume  0.43948E-03 ppm1      1.700 ppm2      7.360 CV     1
 ASSI { 1022}
   (( segid "SH3 " and resid 352  and name HB  ))
   (  segid "SH3 " and resid 313  and name HE% )
      5.400     2.700     0.600 peak  1022 weight  0.10000E+01 volume  0.33550E-03 ppm1      1.690 ppm2      7.490 CV     1
 ASSI {  680}
   (( segid "SH3 " and resid 334  and name HA  ))
   (( segid "SH3 " and resid 334  and name HB2 ))
      3.300     1.600     1.600 peak   680 weight  0.10000E+01 volume  0.18540E-02 ppm1      5.470 ppm2      2.960 CV     1
 ASSI {  676}
   (( segid "SH3 " and resid 334  and name HA  ))
   (  segid "SH3 " and resid 334  and name HD% )
      3.300     1.700     1.700 peak   676 weight  0.10000E+01 volume  0.13537E-02 ppm1      5.480 ppm2      7.090 CV     1
 ASSI {  673}
   (( segid "SH3 " and resid 334  and name HA  ))
   (( segid "SH3 " and resid 334  and name HN  ))
      3.200     1.800     1.800 peak   673 weight  0.10000E+01 volume  0.12361E-02 ppm1      5.480 ppm2      8.730 CV     1
 ASSI { 1198}
   (( segid "SH3 " and resid 334  and name HA  ))
   (( segid "SH3 " and resid 351  and name HZ3 ))
      2.900     1.600     1.600 peak  1198 weight  0.10000E+01 volume  0.18442E-02 ppm1      5.470 ppm2      6.860 CV     1
 ASSI {  287}
   (( segid "SH3 " and resid 313  and name HA  ))
   (( segid "SH3 " and resid 314  and name HB  ))
      4.900     2.100     1.100 peak   287 weight  0.10000E+01 volume  0.72887E-03 ppm1      4.970 ppm2      1.780 CV     1
 ASSI { 1258}
   (( segid "SH3 " and resid 313  and name HA  ))
   (  segid "SH3 " and resid 356  and name HE% )
      3.300     1.700     1.700 peak  1258 weight  0.10000E+01 volume  0.13930E-02 ppm1      4.970 ppm2      6.950 CV     1
 ASSI { 1199}
   (( segid "SH3 " and resid 351  and name HA  ))
   (( segid "SH3 " and resid 342  and name HN  ))
      3.600     1.600     1.600 peak  1199 weight  0.10000E+01 volume  0.17363E-02 ppm1      5.470 ppm2      8.120 CV     1
 ASSI {  289}
   (( segid "SH3 " and resid 313  and name HA  ))
   (  segid "SH3 " and resid 314  and name HG2%)
      4.400     1.600     1.600 peak   289 weight  0.10000E+01 volume  0.18737E-02 ppm1      4.970 ppm2      0.850 CV     1
 ASSI {  678}
   (( segid "SH3 " and resid 334  and name HA  ))
   (  segid "SH3 " and resid 334  and name HE% )
      4.400     2.200     1.600 peak   678 weight  0.10000E+01 volume  0.66218E-03 ppm1      5.480 ppm2      6.720 CV     1
 ASSI {  286}
   (( segid "SH3 " and resid 313  and name HA  ))
   (( segid "SH3 " and resid 313  and name HB2 ))
      2.800     1.300     1.300 peak   286 weight  0.10000E+01 volume  0.34531E-02 ppm1      4.970 ppm2      3.180 CV     1
 ASSI { 1259}
   (( segid "SH3 " and resid 313  and name HA  ))
   (( segid "SH3 " and resid 313  and name HB1 ))
      2.600     1.500     1.500 peak  1259 weight  0.10000E+01 volume  0.22464E-02 ppm1      4.970 ppm2      3.040 CV     1
 ASSI {  682}
   (( segid "SH3 " and resid 334  and name HA  ))
   (  segid "SH3 " and resid 331  and name HG1%)
      4.200     2.500     1.800 peak   682 weight  0.10000E+01 volume  0.40220E-03 ppm1      5.470 ppm2      0.270 CV     1
 ASSI {  284}
   (( segid "SH3 " and resid 313  and name HA  ))
   (  segid "SH3 " and resid 313  and name HE% )
      3.900     2.000     2.000 peak   284 weight  0.10000E+01 volume  0.89953E-03 ppm1      4.990 ppm2      7.510 CV     1
 ASSI {  283}
   (( segid "SH3 " and resid 313  and name HA  ))
   (  segid "SH3 " and resid 313  and name HD% )
      2.900     1.300     1.300 peak   283 weight  0.10000E+01 volume  0.31980E-02 ppm1      4.970 ppm2      7.380 CV     1
 ASSI {  679}
   (( segid "SH3 " and resid 334  and name HA  ))
   (( segid "SH3 " and resid 334  and name HB1 ))
      2.600     1.400     1.400 peak   679 weight  0.10000E+01 volume  0.29331E-02 ppm1      5.470 ppm2      3.280 CV     1
 ASSI { 1718}
   (( segid "SH3 " and resid 328  and name HB2 ))
   (  segid "SH3 " and resid 306  and name HD1%)
      3.300     1.800     1.800 peak  1718 weight  0.10000E+01 volume  0.12753E-02 ppm1      1.870 ppm2      0.940 CV     1
 OR { 1718}
   (( segid "SH3 " and resid 328  and name HB1 ))
   (  segid "SH3 " and resid 306  and name HD1%)
 ASSI {  687}
   (( segid "SH3 " and resid 351  and name HA  ))
   (( segid "SH3 " and resid 351  and name HB1 ))
      2.600     1.400     1.400 peak   687 weight  0.10000E+01 volume  0.26487E-02 ppm1      5.450 ppm2      3.220 CV     1
 ASSI { 1632}
   (( segid "SH3 " and resid 351  and name HA  ))
   (( segid "SH3 " and resid 342  and name HB2 ))
      4.200     2.300     1.800 peak  1632 weight  0.10000E+01 volume  0.54739E-03 ppm1      5.450 ppm2      0.710 CV     1
 ASSI {  689}
   (( segid "SH3 " and resid 351  and name HA  ))
   (( segid "SH3 " and resid 342  and name HG1 ))
      3.800     2.000     2.000 peak   689 weight  0.10000E+01 volume  0.81910E-03 ppm1      5.450 ppm2      1.090 CV     1
 ASSI { 1634}
   (( segid "SH3 " and resid 351  and name HA  ))
   (( segid "SH3 " and resid 342  and name HA  ))
      2.300     1.200     1.200 peak  1634 weight  0.10000E+01 volume  0.47774E-02 ppm1      5.440 ppm2      3.430 CV     1
 ASSI { 1633}
   (( segid "SH3 " and resid 351  and name HA  ))
   (( segid "SH3 " and resid 340  and name HE3 ))
      3.300     1.600     1.600 peak  1633 weight  0.10000E+01 volume  0.17363E-02 ppm1      5.440 ppm2      7.420 CV     1
 ASSI {  688}
   (( segid "SH3 " and resid 351  and name HA  ))
   (( segid "SH3 " and resid 342  and name HB1 ))
      4.700     2.100     1.300 peak   688 weight  0.10000E+01 volume  0.72298E-03 ppm1      5.440 ppm2      1.280 CV     1
 ASSI {  569}
   (( segid "SH3 " and resid 327  and name HA  ))
   (  segid "SH3 " and resid 308  and name HG2%)
      3.800     2.200     2.200 peak   569 weight  0.10000E+01 volume  0.62194E-03 ppm1      4.290 ppm2      0.810 CV     1
 ASSI {  562}
   (( segid "SH3 " and resid 327  and name HA  ))
   (( segid "SH3 " and resid 328  and name HA  ))
      4.100     2.200     1.900 peak   562 weight  0.10000E+01 volume  0.68573E-03 ppm1      4.290 ppm2      5.210 CV     1
 ASSI {  564}
   (( segid "SH3 " and resid 327  and name HA  ))
   (( segid "SH3 " and resid 327  and name HB2 ))
      2.300     1.100     1.100 peak   564 weight  0.10000E+01 volume  0.65822E-02 ppm1      4.290 ppm2      2.330 CV     1
 ASSI {  565}
   (( segid "SH3 " and resid 327  and name HA  ))
   (( segid "SH3 " and resid 327  and name HG1 ))
      2.800     1.400     1.400 peak   565 weight  0.10000E+01 volume  0.29331E-02 ppm1      4.290 ppm2      2.100 CV     1
 OR {  565}
   (( segid "SH3 " and resid 327  and name HA  ))
   (( segid "SH3 " and resid 327  and name HG2 ))
 ASSI {  567}
   (( segid "SH3 " and resid 327  and name HA  ))
   (( segid "SH3 " and resid 328  and name HG1 ))
      4.200     2.000     1.800 peak   567 weight  0.10000E+01 volume  0.92506E-03 ppm1      4.290 ppm2      1.680 CV     1
 OR {  567}
   (( segid "SH3 " and resid 327  and name HA  ))
   (( segid "SH3 " and resid 328  and name HG2 ))
 ASSI {  566}
   (( segid "SH3 " and resid 327  and name HA  ))
   (( segid "SH3 " and resid 328  and name HB1 ))
      4.300     1.900     1.700 peak   566 weight  0.10000E+01 volume  0.10497E-02 ppm1      4.280 ppm2      1.870 CV     1
 OR {  566}
   (( segid "SH3 " and resid 327  and name HA  ))
   (( segid "SH3 " and resid 328  and name HB2 ))
 ASSI {  790}
   (( segid "SH3 " and resid 340  and name HB2 ))
   (( segid "SH3 " and resid 340  and name HE3 ))
      4.100     1.800     1.800 peak   790 weight  0.10000E+01 volume  0.11575E-02 ppm1      2.540 ppm2      7.410 CV     1
 ASSI {  791}
   (( segid "SH3 " and resid 340  and name HB1 ))
   (( segid "SH3 " and resid 340  and name HD1 ))
      4.000     2.200     2.000 peak   791 weight  0.10000E+01 volume  0.60626E-03 ppm1      3.450 ppm2      7.090 CV     1
 ASSI {  789}
   (( segid "SH3 " and resid 340  and name HB1 ))
   (( segid "SH3 " and resid 340  and name HE3 ))
      2.800     1.600     1.600 peak   789 weight  0.10000E+01 volume  0.18540E-02 ppm1      3.450 ppm2      7.410 CV     1
 ASSI {  792}
   (( segid "SH3 " and resid 340  and name HB1 ))
   (( segid "SH3 " and resid 340  and name HA  ))
      2.900     1.700     1.700 peak   792 weight  0.10000E+01 volume  0.13636E-02 ppm1      3.450 ppm2      5.080 CV     1
 ASSI { 1344}
   (( segid "SH3 " and resid 331  and name HB  ))
   (  segid "SH3 " and resid 307  and name HE% )
      3.300     1.900     1.900 peak  1344 weight  0.10000E+01 volume  0.10399E-02 ppm1      1.540 ppm2      7.340 CV     1
 ASSI { 1345}
   (( segid "SH3 " and resid 331  and name HB  ))
   (( segid "SH3 " and resid 330  and name HA  ))
      4.800     2.200     1.200 peak  1345 weight  0.10000E+01 volume  0.64548E-03 ppm1      1.540 ppm2      5.120 CV     1
 ASSI { 1341}
   (( segid "SH3 " and resid 331  and name HB  ))
   (  segid "SH3 " and resid 307  and name HD% )
      3.500     2.200     2.200 peak  1341 weight  0.10000E+01 volume  0.64254E-03 ppm1      1.540 ppm2      6.930 CV     1
 ASSI {  341}
   (( segid "SH3 " and resid 314  and name HB  ))
   (  segid "SH3 " and resid 314  and name HG1%)
      2.300     1.000     1.000 peak   341 weight  0.10000E+01 volume  0.93486E-02 ppm1      1.740 ppm2      0.840 CV     1
 ASSI {  782}
   (( segid "SH3 " and resid 340  and name HA  ))
   (( segid "SH3 " and resid 351  and name HE3 ))
      4.000     1.800     1.800 peak   782 weight  0.10000E+01 volume  0.12066E-02 ppm1      5.070 ppm2      7.350 CV     1
 ASSI {  784}
   (( segid "SH3 " and resid 340  and name HA  ))
   (( segid "SH3 " and resid 340  and name HB2 ))
      3.000     1.700     1.700 peak   784 weight  0.10000E+01 volume  0.16186E-02 ppm1      5.070 ppm2      2.540 CV     1
 ASSI {   24}
   (( segid "SH3 " and resid 307  and name HA  ))
   (( segid "SH3 " and resid 307  and name HB1 ))
      2.500     1.400     1.400 peak    24 weight  0.10000E+01 volume  0.30803E-02 ppm1      5.210 ppm2      2.700 CV     1
 OR {   24}
   (( segid "SH3 " and resid 307  and name HA  ))
   (( segid "SH3 " and resid 307  and name HB2 ))
 ASSI {   26}
   (( segid "SH3 " and resid 307  and name HA  ))
   (  segid "SH3 " and resid 307  and name HD% )
      3.100     1.700     1.700 peak    26 weight  0.10000E+01 volume  0.14518E-02 ppm1      5.210 ppm2      6.920 CV     1
 ASSI { 1236}
   (( segid "SH3 " and resid 307  and name HA  ))
   (( segid "SH3 " and resid 360  and name HB  ))
      4.000     1.900     1.900 peak  1236 weight  0.10000E+01 volume  0.11085E-02 ppm1      5.210 ppm2      1.830 CV     1
 ASSI { 1233}
   (( segid "SH3 " and resid 307  and name HA  ))
   (  segid "SH3 " and resid 360  and name HG2%)
      2.900     1.400     1.400 peak  1233 weight  0.10000E+01 volume  0.30116E-02 ppm1      5.210 ppm2      0.810 CV     1
 ASSI { 1540}
   (( segid "SH3 " and resid 349  and name HG2 ))
   (( segid "SH3 " and resid 344  and name HA  ))
      4.500     1.900     1.500 peak  1540 weight  0.10000E+01 volume  0.99078E-03 ppm1      1.810 ppm2      5.210 CV     1
 OR { 1540}
   (( segid "SH3 " and resid 349  and name HG1 ))
   (( segid "SH3 " and resid 344  and name HA  ))
 ASSI {  171}
   (( segid "SH3 " and resid 310  and name HA  ))
   (( segid "SH3 " and resid 325  and name HB2 ))
      3.900     2.400     2.100 peak   171 weight  0.10000E+01 volume  0.48559E-03 ppm1      3.900 ppm2      1.690 CV     1
 OR {  171}
   (( segid "SH3 " and resid 310  and name HA  ))
   (( segid "SH3 " and resid 325  and name HB1 ))
 ASSI {  167}
   (( segid "SH3 " and resid 310  and name HA  ))
   (  segid "SH3 " and resid 311  and name HE% )
      5.000     2.500     1.000 peak   167 weight  0.10000E+01 volume  0.42575E-03 ppm1      3.890 ppm2      6.620 CV     1
 ASSI {  177}
   (( segid "SH3 " and resid 310  and name HA  ))
   (( segid "SH3 " and resid 310  and name HB2 ))
      2.800     1.300     1.300 peak   177 weight  0.10000E+01 volume  0.37376E-02 ppm1      3.900 ppm2      0.480 CV     1
 ASSI { 1429}
   (( segid "SH3 " and resid 341  and name HA  ))
   (( segid "SH3 " and resid 351  and name HZ3 ))
      2.900     1.600     1.600 peak  1429 weight  0.10000E+01 volume  0.17952E-02 ppm1      5.120 ppm2      6.860 CV     1
 ASSI { 1428}
   (( segid "SH3 " and resid 341  and name HA  ))
   (( segid "SH3 " and resid 334  and name HA  ))
      2.300     1.200     1.200 peak  1428 weight  0.10000E+01 volume  0.52188E-02 ppm1      5.120 ppm2      5.480 CV     1
 ASSI {  173}
   (( segid "SH3 " and resid 310  and name HA  ))
   (( segid "SH3 " and resid 310  and name HB1 ))
      2.600     1.400     1.400 peak   173 weight  0.10000E+01 volume  0.31293E-02 ppm1      3.900 ppm2      1.120 CV     1
 ASSI {  168}
   (( segid "SH3 " and resid 310  and name HA  ))
   (( segid "SH3 " and resid 309  and name HA  ))
      4.100     2.100     1.900 peak   168 weight  0.10000E+01 volume  0.71907E-03 ppm1      3.900 ppm2      4.690 CV     1
 ASSI {  375}
   (( segid "SH3 " and resid 318  and name HA  ))
   (( segid "SH3 " and resid 320  and name HN  ))
      4.500     2.500     1.500 peak   375 weight  0.10000E+01 volume  0.40907E-03 ppm1      4.440 ppm2      7.750 CV     1
 ASSI {  601}
   (( segid "SH3 " and resid 328  and name HA  ))
   (( segid "SH3 " and resid 328  and name HB1 ))
      2.400     1.300     1.300 peak   601 weight  0.10000E+01 volume  0.39632E-02 ppm1      5.220 ppm2      1.840 CV     1
 OR {  601}
   (( segid "SH3 " and resid 328  and name HA  ))
   (( segid "SH3 " and resid 328  and name HB2 ))
 ASSI {  602}
   (( segid "SH3 " and resid 328  and name HA  ))
   (( segid "SH3 " and resid 328  and name HG2 ))
      2.800     1.300     1.300 peak   602 weight  0.10000E+01 volume  0.32569E-02 ppm1      5.210 ppm2      1.690 CV     1
 OR {  602}
   (( segid "SH3 " and resid 328  and name HA  ))
   (( segid "SH3 " and resid 328  and name HG1 ))
 ASSI {  603}
   (( segid "SH3 " and resid 328  and name HA  ))
   (( segid "SH3 " and resid 328  and name HD2 ))
      3.700     1.600     1.600 peak   603 weight  0.10000E+01 volume  0.19228E-02 ppm1      5.220 ppm2      1.450 CV     1
 OR {  603}
   (( segid "SH3 " and resid 328  and name HA  ))
   (( segid "SH3 " and resid 328  and name HD1 ))
 ASSI { 3183}
   (( segid "SH2 " and resid 21   and name HB  ))
   (( segid "SH2 " and resid 18   and name HA  ))
      2.700     1.300     1.300 peak  3183 weight  0.10000E+01 volume  0.30583E-02 ppm1      2.210 ppm2      3.940 CV     1
 ASSI { 3186}
   (( segid "SH2 " and resid 31   and name HB  ))
   (  segid "SH2 " and resid 31   and name HG1%)
      2.300     1.200     1.200 peak  3186 weight  0.10000E+01 volume  0.46759E-02 ppm1      2.110 ppm2      1.070 CV     1
 ASSI { 3182}
   (( segid "SH2 " and resid 113  and name HB1 ))
   (( segid "SH2 " and resid 113  and name HA  ))
      2.900     1.500     1.500 peak  3182 weight  0.10000E+01 volume  0.22040E-02 ppm1      2.040 ppm2      5.000 CV     1
 ASSI {  317}
   (( segid "SH2 " and resid 24   and name HA  ))
   (  segid "SH2 " and resid 24   and name HD1%)
      2.800     1.000     1.000 peak   317 weight  0.10000E+01 volume  0.74562E-02 ppm1      4.160 ppm2      0.530 CV     1
 ASSI {    1}
   (( segid "SH2 " and resid 10   and name HA  ))
   (( segid "SH2 " and resid 10   and name HN  ))
      2.900     1.600     1.600 peak     1 weight  0.10000E+01 volume  0.17920E-02 ppm1      5.060 ppm2      6.750 CV     1
 ASSI {  319}
   (( segid "SH2 " and resid 24   and name HA  ))
   (  segid "SH2 " and resid 24   and name HD2%)
      3.300     1.400     1.400 peak   319 weight  0.10000E+01 volume  0.30077E-02 ppm1      4.170 ppm2      1.060 CV     1
 ASSI {  240}
   (( segid "SH2 " and resid 20   and name HA  ))
   (( segid "SH2 " and resid 21   and name HN  ))
      3.800     2.200     2.200 peak   240 weight  0.10000E+01 volume  0.60156E-03 ppm1      3.780 ppm2      8.370 CV     1
 ASSI {  312}
   (( segid "SH2 " and resid 24   and name HA  ))
   (( segid "SH2 " and resid 24   and name HN  ))
      2.600     1.500     1.500 peak   312 weight  0.10000E+01 volume  0.22596E-02 ppm1      4.170 ppm2      7.380 CV     1
 ASSI { 2838}
   (( segid "SH2 " and resid 24   and name HA  ))
   (( segid "SH2 " and resid 27   and name HG1 ))
      2.300     1.100     1.100 peak  2838 weight  0.10000E+01 volume  0.51561E-02 ppm1      4.170 ppm2      2.330 CV     1
 OR { 2838}
   (( segid "SH2 " and resid 24   and name HA  ))
   (( segid "SH2 " and resid 27   and name HG2 ))
 ASSI {    7}
   (( segid "SH2 " and resid 10   and name HA  ))
   (( segid "SH2 " and resid 10   and name HB2 ))
      2.600     1.200     1.200 peak     7 weight  0.10000E+01 volume  0.41704E-02 ppm1      5.060 ppm2      3.010 CV     1
 ASSI { 3180}
   (( segid "SH2 " and resid 20   and name HA  ))
   (  segid "SH2 " and resid 23   and name HD1%)
      2.600     1.300     1.300 peak  3180 weight  0.10000E+01 volume  0.32605E-02 ppm1      3.780 ppm2     -0.010 CV     1
 ASSI { 2834}
   (( segid "SH2 " and resid 20   and name HA  ))
   (  segid "SH2 " and resid 33   and name HD2%)
      2.900     1.700     1.700 peak  2834 weight  0.10000E+01 volume  0.13952E-02 ppm1      3.780 ppm2      0.650 CV     1
 ASSI {  239}
   (( segid "SH2 " and resid 20   and name HA  ))
   (( segid "SH2 " and resid 20   and name HN  ))
      2.700     1.400     1.400 peak   239 weight  0.10000E+01 volume  0.26286E-02 ppm1      3.780 ppm2      8.240 CV     1
 ASSI {    5}
   (( segid "SH2 " and resid 10   and name HA  ))
   (( segid "SH2 " and resid 33   and name HA  ))
      3.000     1.600     1.600 peak     5 weight  0.10000E+01 volume  0.18653E-02 ppm1      5.060 ppm2      4.740 CV     1
 ASSI {    6}
   (( segid "SH2 " and resid 10   and name HA  ))
   (( segid "SH2 " and resid 10   and name HB1 ))
      2.400     1.200     1.200 peak     6 weight  0.10000E+01 volume  0.39429E-02 ppm1      5.060 ppm2      3.770 CV     1
 ASSI {  313}
   (( segid "SH2 " and resid 24   and name HA  ))
   (( segid "SH2 " and resid 27   and name HN  ))
      3.800     1.800     1.800 peak   313 weight  0.10000E+01 volume  0.10944E-02 ppm1      4.170 ppm2      7.850 CV     1
 ASSI {  235}
   (( segid "SH2 " and resid 20   and name HA  ))
   (  segid "SH2 " and resid 20   and name HB% )
      2.200     1.000     1.000 peak   235 weight  0.10000E+01 volume  0.78859E-02 ppm1      3.780 ppm2      1.410 CV     1
 ASSI { 2833}
   (( segid "SH2 " and resid 20   and name HA  ))
   (  segid "SH2 " and resid 15   and name HD2%)
      2.400     1.200     1.200 peak  2833 weight  0.10000E+01 volume  0.40946E-02 ppm1      3.780 ppm2      0.500 CV     1
 ASSI { 3181}
   (( segid "SH2 " and resid 20   and name HA  ))
   (  segid "SH2 " and resid 33   and name HD1%)
      3.100     1.300     1.300 peak  3181 weight  0.10000E+01 volume  0.34627E-02 ppm1      3.780 ppm2     -0.080 CV     1
 ASSI { 2836}
   (( segid "SH2 " and resid 96   and name HA  ))
   (( segid "SH2 " and resid 99   and name HB2 ))
      2.400     1.200     1.200 peak  2836 weight  0.10000E+01 volume  0.49792E-02 ppm1      4.020 ppm2      1.990 CV     1
 OR { 2836}
   (( segid "SH2 " and resid 96   and name HA  ))
   (( segid "SH2 " and resid 99   and name HB1 ))
 ASSI { 1158}
   (( segid "SH2 " and resid 96   and name HA  ))
   (  segid "SH2 " and resid 96   and name HB% )
      2.100     0.900     0.900 peak  1158 weight  0.10000E+01 volume  0.10944E-01 ppm1      4.020 ppm2      1.580 CV     1
 ASSI { 1133}
   (( segid "SH2 " and resid 96   and name HA  ))
   (( segid "SH2 " and resid 99   and name HN  ))
      3.300     1.600     1.600 peak  1133 weight  0.10000E+01 volume  0.18147E-02 ppm1      4.020 ppm2      7.790 CV     1
 ASSI {  320}
   (( segid "SH2 " and resid 24   and name HA  ))
   (( segid "SH2 " and resid 24   and name HB1 ))
      2.600     1.600     1.600 peak   320 weight  0.10000E+01 volume  0.15999E-02 ppm1      4.150 ppm2      1.690 CV     1
 ASSI { 2594}
   (( segid "SH2 " and resid 10   and name HB1 ))
   (( segid "SH2 " and resid 10   and name HE3 ))
      4.100     2.000     1.900 peak  2594 weight  0.10000E+01 volume  0.82142E-03 ppm1      3.780 ppm2      7.480 CV     1
 ASSI {  229}
   (( segid "SH2 " and resid 10   and name HB1 ))
   (( segid "SH2 " and resid 10   and name HB2 ))
      1.900     1.100     1.100 peak   229 weight  0.10000E+01 volume  0.55605E-02 ppm1      3.780 ppm2      3.010 CV     1
 ASSI { 2596}
   (( segid "SH2 " and resid 10   and name HB2 ))
   (( segid "SH2 " and resid 33   and name HB2 ))
      3.200     1.500     1.500 peak  2596 weight  0.10000E+01 volume  0.19436E-02 ppm1      3.010 ppm2      1.840 CV     1
 OR { 2596}
   (( segid "SH2 " and resid 10   and name HB2 ))
   (( segid "SH2 " and resid 33   and name HB1 ))
 ASSI {   18}
   (( segid "SH2 " and resid 10   and name HB1 ))
   (( segid "SH2 " and resid 10   and name HN  ))
      2.900     1.800     1.800 peak    18 weight  0.10000E+01 volume  0.12461E-02 ppm1      3.780 ppm2      6.740 CV     1
 ASSI { 2595}
   (( segid "SH2 " and resid 10   and name HB2 ))
   (( segid "SH2 " and resid 10   and name HE3 ))
      2.900     1.900     1.900 peak  2595 weight  0.10000E+01 volume  0.93265E-03 ppm1      3.000 ppm2      7.460 CV     1
 ASSI { 2598}
   (( segid "SH2 " and resid 10   and name HB1 ))
   (( segid "SH2 " and resid 33   and name HB2 ))
      3.300     3.300     2.700 peak  2598 weight  0.10000E+01 volume  0.32605E-02 ppm1      3.770 ppm2      1.840 CV     1
 OR { 2598}
   (( segid "SH2 " and resid 10   and name HB1 ))
   (( segid "SH2 " and resid 33   and name HB1 ))
 ASSI { 2525}
   (( segid "SH2 " and resid 51   and name HA  ))
   (( segid "SH2 " and resid 52   and name HN  ))
      2.800     1.600     1.600 peak  2525 weight  0.10000E+01 volume  0.17490E-02 ppm1      4.230 ppm2      0.250 CV     1
 ASSI { 2869}
   (( segid "SH2 " and resid 111  and name HA  ))
   (( segid "SH2 " and resid 112  and name HN  ))
      2.200     1.100     1.100 peak  2869 weight  0.10000E+01 volume  0.54089E-02 ppm1      4.410 ppm2     -0.910 CV     1
 ASSI {  730}
   (( segid "SH2 " and resid 85   and name HA  ))
   (  segid "SH2 " and resid 91   and name HD% )
      3.900     2.100     2.100 peak   730 weight  0.10000E+01 volume  0.68245E-03 ppm1      5.340 ppm2      6.980 CV     1
 ASSI { 2863}
   (( segid "SH2 " and resid 104  and name HA  ))
   (( segid "SH2 " and resid 105  and name HA  ))
      3.900     1.900     1.900 peak  2863 weight  0.10000E+01 volume  0.10515E-02 ppm1      4.340 ppm2      3.790 CV     1
 ASSI { 1673}
   (( segid "SH2 " and resid 104  and name HA  ))
   (( segid "SH2 " and resid 105  and name HN  ))
      2.400     1.100     1.100 peak  1673 weight  0.10000E+01 volume  0.62177E-02 ppm1      4.360 ppm2      8.110 CV     1
 ASSI { 1674}
   (( segid "SH2 " and resid 104  and name HA  ))
   (( segid "SH2 " and resid 104  and name HB1 ))
      2.900     1.400     1.400 peak  1674 weight  0.10000E+01 volume  0.29824E-02 ppm1      4.360 ppm2      2.990 CV     1
 ASSI {  728}
   (( segid "SH2 " and resid 85   and name HA  ))
   (( segid "SH2 " and resid 86   and name HN  ))
      2.000     1.000     1.000 peak   728 weight  0.10000E+01 volume  0.87451E-02 ppm1      5.320 ppm2      8.590 CV     1
 ASSI {  729}
   (( segid "SH2 " and resid 85   and name HA  ))
   (( segid "SH2 " and resid 85   and name HN  ))
      2.700     1.400     1.400 peak   729 weight  0.10000E+01 volume  0.23834E-02 ppm1      5.320 ppm2      8.990 CV     1
 ASSI { 3309}
   (( segid "SH2 " and resid 36   and name HA  ))
   (( segid "SH2 " and resid 44   and name HA  ))
      2.500     1.300     1.300 peak  3309 weight  0.10000E+01 volume  0.38671E-02 ppm1      4.890 ppm2      5.380 CV     1
 ASSI {  294}
   (( segid "SH2 " and resid 22   and name HA  ))
   (  segid "SH2 " and resid 22   and name HB% )
      2.100     0.800     0.800 peak   294 weight  0.10000E+01 volume  0.15670E-01 ppm1      4.050 ppm2      1.440 CV     1
 ASSI {  293}
   (( segid "SH2 " and resid 22   and name HA  ))
   (( segid "SH2 " and resid 22   and name HN  ))
      2.600     1.200     1.200 peak   293 weight  0.10000E+01 volume  0.46759E-02 ppm1      4.050 ppm2      7.640 CV     1
 ASSI { 3307}
   (( segid "SH2 " and resid 36   and name HA  ))
   (  segid "SH2 " and resid 44   and name HD% )
      3.000     1.500     1.500 peak  3307 weight  0.10000E+01 volume  0.21585E-02 ppm1      4.890 ppm2      7.050 CV     1
 ASSI { 1680}
   (( segid "SH2 " and resid 15   and name HA  ))
   (  segid "SH2 " and resid 15   and name HD2%)
      4.000     1.700     1.700 peak  1680 weight  0.10000E+01 volume  0.15468E-02 ppm1      4.440 ppm2      0.500 CV     1
 ASSI { 1679}
   (( segid "SH2 " and resid 111  and name HA  ))
   (( segid "SH2 " and resid 111  and name HG  ))
      2.400     1.400     1.400 peak  1679 weight  0.10000E+01 volume  0.24138E-02 ppm1      4.410 ppm2      0.800 CV     1
 ASSI { 1677}
   (( segid "SH2 " and resid 51   and name HA  ))
   (( segid "SH2 " and resid 51   and name HB2 ))
      2.400     1.200     1.200 peak  1677 weight  0.10000E+01 volume  0.46759E-02 ppm1      4.230 ppm2      3.000 CV     1
 ASSI {  167}
   (( segid "SH2 " and resid 111  and name HA  ))
   (  segid "SH2 " and resid 111  and name HD1%)
      2.300     1.100     1.100 peak   167 weight  0.10000E+01 volume  0.53583E-02 ppm1      4.400 ppm2      0.270 CV     1
 ASSI {  351}
   (( segid "SH2 " and resid 27   and name HA  ))
   (( segid "SH2 " and resid 27   and name HE21))
      3.300     1.800     1.800 peak   351 weight  0.10000E+01 volume  0.10818E-02 ppm1      4.260 ppm2      7.550 CV     1
 ASSI { 1616}
   (( segid "SH2 " and resid 36   and name HA  ))
   (( segid "SH2 " and resid 36   and name HB1 ))
      2.800     1.300     1.300 peak  1616 weight  0.10000E+01 volume  0.33616E-02 ppm1      4.900 ppm2      2.760 CV     1
 ASSI { 1617}
   (( segid "SH2 " and resid 36   and name HA  ))
   (( segid "SH2 " and resid 36   and name HB2 ))
      2.800     1.400     1.400 peak  1617 weight  0.10000E+01 volume  0.24213E-02 ppm1      4.890 ppm2      2.350 CV     1
 ASSI { 2473}
   (( segid "SH2 " and resid 51   and name HA  ))
   (( segid "SH2 " and resid 51   and name HB1 ))
      2.700     1.400     1.400 peak  2473 weight  0.10000E+01 volume  0.28561E-02 ppm1      4.230 ppm2      2.710 CV     1
 ASSI {  165}
   (( segid "SH2 " and resid 15   and name HA  ))
   (  segid "SH2 " and resid 15   and name HD1%)
      2.300     1.100     1.100 peak   165 weight  0.10000E+01 volume  0.63439E-02 ppm1      4.440 ppm2      1.010 CV     1
 ASSI {  163}
   (( segid "SH2 " and resid 15   and name HA  ))
   (( segid "SH2 " and resid 15   and name HB2 ))
      2.300     1.200     1.200 peak   163 weight  0.10000E+01 volume  0.40187E-02 ppm1      4.440 ppm2      1.540 CV     1
 ASSI {  159}
   (( segid "SH2 " and resid 15   and name HA  ))
   (( segid "SH2 " and resid 16   and name HN  ))
      2.100     1.000     1.000 peak   159 weight  0.10000E+01 volume  0.74562E-02 ppm1      4.440 ppm2      8.930 CV     1
 ASSI { 3312}
   (( segid "SH2 " and resid 56   and name HA  ))
   (  segid "SH2 " and resid 54   and name HG2%)
      3.500     1.800     1.800 peak  3312 weight  0.10000E+01 volume  0.11374E-02 ppm1      4.910 ppm2      0.380 CV     1
 ASSI {  161}
   (( segid "SH2 " and resid 111  and name HA  ))
   (( segid "SH2 " and resid 30   and name HA2 ))
      2.500     1.700     1.700 peak   161 weight  0.10000E+01 volume  0.15595E-02 ppm1      4.400 ppm2      3.560 CV     1
 ASSI {  162}
   (( segid "SH2 " and resid 15   and name HA  ))
   (( segid "SH2 " and resid 15   and name HB1 ))
      2.800     1.400     1.400 peak   162 weight  0.10000E+01 volume  0.27044E-02 ppm1      4.440 ppm2      1.740 CV     1
 ASSI {  160}
   (( segid "SH2 " and resid 15   and name HA  ))
   (( segid "SH2 " and resid 15   and name HN  ))
      2.800     1.500     1.500 peak   160 weight  0.10000E+01 volume  0.23202E-02 ppm1      4.440 ppm2      7.710 CV     1
 ASSI { 3306}
   (( segid "SH2 " and resid 36   and name HA  ))
   (  segid "SH2 " and resid 44   and name HE% )
      3.700     2.000     2.000 peak  3306 weight  0.10000E+01 volume  0.88465E-03 ppm1      4.920 ppm2      6.820 CV     1
 ASSI { 3301}
   (( segid "SH2 " and resid 56   and name HA  ))
   (( segid "SH2 " and resid 56   and name HN  ))
      3.100     1.800     1.800 peak  3301 weight  0.10000E+01 volume  0.11121E-02 ppm1      4.930 ppm2      8.480 CV     1
 ASSI {  982}
   (( segid "SH2 " and resid 90   and name HA  ))
   (  segid "SH2 " and resid 91   and name HD% )
      3.200     1.900     1.900 peak   982 weight  0.10000E+01 volume  0.10388E-02 ppm1      5.160 ppm2      6.960 CV     1
 ASSI {  692}
   (( segid "SH2 " and resid 53   and name HA  ))
   (( segid "SH2 " and resid 25   and name HE21))
      3.500     2.000     2.000 peak   692 weight  0.10000E+01 volume  0.86189E-03 ppm1      5.170 ppm2      7.350 CV     1
 ASSI { 2625}
   (( segid "SH2 " and resid 53   and name HA  ))
   (( segid "SH2 " and resid 53   and name HD1 ))
      4.300     1.700     1.700 peak  2625 weight  0.10000E+01 volume  0.13800E-02 ppm1      5.170 ppm2      3.220 CV     1
 OR { 2625}
   (( segid "SH2 " and resid 53   and name HA  ))
   (( segid "SH2 " and resid 53   and name HD2 ))
 ASSI {  688}
   (( segid "SH2 " and resid 90   and name HA  ))
   (( segid "SH2 " and resid 86   and name HN  ))
      3.000     1.600     1.600 peak   688 weight  0.10000E+01 volume  0.16277E-02 ppm1      5.160 ppm2      8.600 CV     1
 ASSI {  690}
   (( segid "SH2 " and resid 53   and name HA  ))
   (( segid "SH2 " and resid 54   and name HN  ))
      2.400     1.200     1.200 peak   690 weight  0.10000E+01 volume  0.46506E-02 ppm1      5.170 ppm2      7.930 CV     1
 ASSI {  691}
   (( segid "SH2 " and resid 90   and name HA  ))
   (( segid "SH2 " and resid 90   and name HN  ))
      2.800     1.500     1.500 peak   691 weight  0.10000E+01 volume  0.19765E-02 ppm1      5.170 ppm2      7.650 CV     1
 ASSI {  686}
   (( segid "SH2 " and resid 90   and name HA  ))
   (( segid "SH2 " and resid 91   and name HN  ))
      2.200     1.000     1.000 peak   686 weight  0.10000E+01 volume  0.71528E-02 ppm1      5.170 ppm2      9.000 CV     1
 ASSI { 3303}
   (( segid "SH2 " and resid 53   and name HA  ))
   (  segid "SH2 " and resid 54   and name HG1%)
      4.100     1.600     1.600 peak  3303 weight  0.10000E+01 volume  0.16378E-02 ppm1      5.170 ppm2      0.940 CV     1
 ASSI { 2626}
   (( segid "SH2 " and resid 90   and name HA  ))
   (( segid "SH2 " and resid 89   and name HA  ))
      3.800     1.800     1.800 peak  2626 weight  0.10000E+01 volume  0.11374E-02 ppm1      5.170 ppm2      4.180 CV     1
 ASSI { 3313}
   (( segid "SH2 " and resid 36   and name HA  ))
   (  segid "SH2 " and resid 45   and name HG2%)
      3.700     2.000     2.000 peak  3313 weight  0.10000E+01 volume  0.86693E-03 ppm1      4.930 ppm2      0.900 CV     1
 ASSI {  685}
   (( segid "SH2 " and resid 89   and name HA  ))
   (( segid "SH2 " and resid 90   and name HN  ))
      2.100     0.900     0.900 peak   685 weight  0.10000E+01 volume  0.12385E-01 ppm1      4.170 ppm2      7.650 CV     1
 ASSI { 1021}
   (( segid "SH2 " and resid 12   and name HD1 ))
   (( segid "SH2 " and resid 12   and name HB2 ))
      3.100     2.000     2.000 peak  1021 weight  0.10000E+01 volume  0.84417E-03 ppm1      7.450 ppm2      2.630 CV     1
 ASSI { 1024}
   (( segid "SH2 " and resid 12   and name HD1 ))
   (  segid "SH2 " and resid 33   and name HD2%)
      4.100     2.000     1.900 peak  1024 weight  0.10000E+01 volume  0.88210E-03 ppm1      7.450 ppm2      0.620 CV     1
 ASSI { 1020}
   (( segid "SH2 " and resid 12   and name HD1 ))
   (( segid "SH2 " and resid 12   and name HB1 ))
      4.100     2.100     1.900 peak  1020 weight  0.10000E+01 volume  0.69507E-03 ppm1      7.450 ppm2      3.600 CV     1
 ASSI { 1459}
   (( segid "SH2 " and resid 12   and name HB1 ))
   (  segid "SH2 " and resid 15   and name HD2%)
      3.100     1.700     1.700 peak  1459 weight  0.10000E+01 volume  0.14786E-02 ppm1      3.620 ppm2      0.500 CV     1
 ASSI { 1025}
   (( segid "SH2 " and resid 12   and name HD1 ))
   (( segid "SH2 " and resid 12   and name HN  ))
      2.600     1.400     1.400 peak  1025 weight  0.10000E+01 volume  0.29824E-02 ppm1      7.450 ppm2     -0.670 CV     1
 ASSI { 1493}
   (( segid "SH2 " and resid 12   and name HB1 ))
   (( segid "SH2 " and resid 12   and name HB2 ))
      1.900     1.100     1.100 peak  1493 weight  0.10000E+01 volume  0.51561E-02 ppm1      3.620 ppm2      2.620 CV     1
 ASSI { 1487}
   (( segid "SH2 " and resid 12   and name HB1 ))
   (( segid "SH2 " and resid 12   and name HE3 ))
      2.600     1.500     1.500 peak  1487 weight  0.10000E+01 volume  0.19689E-02 ppm1      3.610 ppm2      7.580 CV     1
 ASSI { 2897}
   (( segid "SH2 " and resid 12   and name HB1 ))
   (( segid "SH2 " and resid 15   and name HB2 ))
      2.500     1.700     1.700 peak  2897 weight  0.10000E+01 volume  0.13699E-02 ppm1      3.620 ppm2      1.510 CV     1
 ASSI {  108}
   (( segid "SH2 " and resid 12   and name HB2 ))
   (( segid "SH2 " and resid 13   and name HN  ))
      4.700     2.300     1.300 peak   108 weight  0.10000E+01 volume  0.53078E-03 ppm1      2.620 ppm2      5.270 CV     1
 ASSI { 1488}
   (( segid "SH2 " and resid 12   and name HB2 ))
   (( segid "SH2 " and resid 12   and name HE3 ))
      4.100     1.700     1.700 peak  1488 weight  0.10000E+01 volume  0.13472E-02 ppm1      2.610 ppm2      7.580 CV     1
 ASSI { 1492}
   (( segid "SH2 " and resid 104  and name HB2 ))
   (( segid "SH2 " and resid 104  and name HA  ))
      3.000     1.600     1.600 peak  1492 weight  0.10000E+01 volume  0.15948E-02 ppm1      2.030 ppm2      4.370 CV     1
 ASSI { 2889}
   (( segid "SH2 " and resid 104  and name HB2 ))
   (( segid "SH2 " and resid 103  and name HN  ))
      4.100     1.900     1.900 peak  2889 weight  0.10000E+01 volume  0.10060E-02 ppm1      2.040 ppm2      6.770 CV     1
 ASSI { 2896}
   (( segid "SH2 " and resid 12   and name HB2 ))
   (  segid "SH2 " and resid 33   and name HD2%)
      3.800     1.900     1.900 peak  2896 weight  0.10000E+01 volume  0.98320E-03 ppm1      2.610 ppm2      0.620 CV     1
 ASSI {  109}
   (( segid "SH2 " and resid 12   and name HB1 ))
   (( segid "SH2 " and resid 13   and name HN  ))
      3.900     2.200     2.100 peak   109 weight  0.10000E+01 volume  0.58639E-03 ppm1      3.610 ppm2      5.290 CV     1
 ASSI { 1478}
   (  segid "SH2 " and resid 97   and name HD1%)
   (( segid "SH2 " and resid 86   and name HA  ))
      4.500     2.200     1.500 peak  1478 weight  0.10000E+01 volume  0.65211E-03 ppm1      0.720 ppm2      4.820 CV     1
 ASSI { 1476}
   (  segid "SH2 " and resid 97   and name HD1%)
   (( segid "SH2 " and resid 91   and name HB1 ))
      4.500     2.100     1.500 peak  1476 weight  0.10000E+01 volume  0.76328E-03 ppm1      0.710 ppm2      3.280 CV     1
 ASSI {  845}
   (( segid "SH2 " and resid 104  and name HB1 ))
   (( segid "SH2 " and resid 104  and name HB2 ))
      2.000     1.100     1.100 peak   845 weight  0.10000E+01 volume  0.61163E-02 ppm1      2.990 ppm2      2.030 CV     1
 ASSI { 1475}
   (  segid "SH2 " and resid 97   and name HD1%)
   (( segid "SH2 " and resid 94   and name HA  ))
      4.000     1.900     1.900 peak  1475 weight  0.10000E+01 volume  0.10262E-02 ppm1      0.700 ppm2      4.020 CV     1
 ASSI { 1480}
   (  segid "SH2 " and resid 97   and name HD1%)
   (( segid "SH2 " and resid 46   and name HG  ))
      2.900     1.500     1.500 peak  1480 weight  0.10000E+01 volume  0.20321E-02 ppm1      0.700 ppm2      1.900 CV     1
 ASSI { 1481}
   (  segid "SH2 " and resid 97   and name HD1%)
   (( segid "SH2 " and resid 97   and name HB1 ))
      2.600     1.300     1.300 peak  1481 weight  0.10000E+01 volume  0.36649E-02 ppm1      0.700 ppm2      1.690 CV     1
 OR { 1481}
   (  segid "SH2 " and resid 97   and name HD1%)
   (( segid "SH2 " and resid 97   and name HB2 ))
 ASSI {  840}
   (( segid "SH2 " and resid 104  and name HB1 ))
   (( segid "SH2 " and resid 104  and name HN  ))
      3.300     1.700     1.700 peak   840 weight  0.10000E+01 volume  0.13548E-02 ppm1      2.980 ppm2      7.540 CV     1
 ASSI {  544}
   (( segid "SH2 " and resid 43   and name HA  ))
   (( segid "SH2 " and resid 44   and name HN  ))
      2.300     1.200     1.200 peak   544 weight  0.10000E+01 volume  0.50045E-02 ppm1      5.070 ppm2      8.760 CV     1
 ASSI { 1641}
   (( segid "SH2 " and resid 43   and name HA  ))
   (( segid "SH2 " and resid 43   and name HB1 ))
      2.700     1.400     1.400 peak  1641 weight  0.10000E+01 volume  0.29824E-02 ppm1      5.070 ppm2      2.970 CV     1
 ASSI { 1644}
   (( segid "SH2 " and resid 43   and name HA  ))
   (( segid "SH2 " and resid 61   and name HB1 ))
      3.200     1.800     1.800 peak  1644 weight  0.10000E+01 volume  0.12739E-02 ppm1      5.070 ppm2      4.030 CV     1
 ASSI {  546}
   (( segid "SH2 " and resid 43   and name HA  ))
   (  segid "SH2 " and resid 44   and name HD% )
      4.000     1.900     1.900 peak   546 weight  0.10000E+01 volume  0.91748E-03 ppm1      5.070 ppm2      7.060 CV     1
 ASSI { 1495}
   (( segid "SH2 " and resid 104  and name HB2 ))
   (( segid "SH2 " and resid 105  and name HN  ))
      4.200     2.000     1.800 peak  1495 weight  0.10000E+01 volume  0.79617E-03 ppm1      2.050 ppm2      8.090 CV     1
 ASSI { 1500}
   (( segid "SH2 " and resid 74   and name HB1 ))
   (( segid "SH2 " and resid 74   and name HA  ))
      3.100     1.800     1.800 peak  1500 weight  0.10000E+01 volume  0.12258E-02 ppm1      2.030 ppm2      4.600 CV     1
 ASSI { 1497}
   (( segid "SH2 " and resid 104  and name HB2 ))
   (( segid "SH2 " and resid 104  and name HN  ))
      2.500     1.300     1.300 peak  1497 weight  0.10000E+01 volume  0.32352E-02 ppm1      2.000 ppm2      7.530 CV     1
 ASSI { 2903}
   (( segid "SH2 " and resid 99   and name HB2 ))
   (( segid "SH2 " and resid 95   and name HB1 ))
      2.200     2.200     3.800 peak  2903 weight  0.10000E+01 volume  0.27044E-01 ppm1      2.010 ppm2      2.310 CV     1
 OR { 2903}
   (( segid "SH2 " and resid 99   and name HB1 ))
   (( segid "SH2 " and resid 95   and name HB1 ))
 ASSI { 1496}
   (( segid "SH2 " and resid 99   and name HB2 ))
   (( segid "SH2 " and resid 99   and name HN  ))
      2.300     1.100     1.100 peak  1496 weight  0.10000E+01 volume  0.57376E-02 ppm1      1.990 ppm2      7.780 CV     1
 OR { 1496}
   (( segid "SH2 " and resid 99   and name HB1 ))
   (( segid "SH2 " and resid 99   and name HN  ))
 ASSI {  618}
   (( segid "SH2 " and resid 84   and name HA  ))
   (( segid "SH2 " and resid 85   and name HN  ))
      2.300     1.100     1.100 peak   618 weight  0.10000E+01 volume  0.55605E-02 ppm1      5.190 ppm2      8.980 CV     1
 ASSI {  621}
   (( segid "SH2 " and resid 84   and name HA  ))
   (( segid "SH2 " and resid 84   and name HB1 ))
      2.700     1.400     1.400 peak   621 weight  0.10000E+01 volume  0.27550E-02 ppm1      5.200 ppm2      1.580 CV     1
 OR {  621}
   (( segid "SH2 " and resid 84   and name HA  ))
   (( segid "SH2 " and resid 84   and name HB2 ))
 ASSI {  617}
   (( segid "SH2 " and resid 84   and name HA  ))
   (( segid "SH2 " and resid 84   and name HN  ))
      3.000     1.700     1.700 peak   617 weight  0.10000E+01 volume  0.13598E-02 ppm1      5.200 ppm2      8.710 CV     1
 ASSI {  512}
   (( segid "SH2 " and resid 35   and name HA  ))
   (( segid "SH2 " and resid 12   and name HN  ))
      3.100     1.800     1.800 peak   512 weight  0.10000E+01 volume  0.12637E-02 ppm1      5.360 ppm2     -0.670 CV     1
 ASSI { 1527}
   (( segid "SH2 " and resid 27   and name HB1 ))
   (  segid "SH2 " and resid 31   and name HG2%)
      3.500     1.800     1.800 peak  1527 weight  0.10000E+01 volume  0.11071E-02 ppm1      2.070 ppm2      0.930 CV     1
 OR { 1527}
   (( segid "SH2 " and resid 27   and name HB2 ))
   (  segid "SH2 " and resid 31   and name HG2%)
 ASSI { 1521}
   (( segid "SH2 " and resid 27   and name HB1 ))
   (( segid "SH2 " and resid 27   and name HA  ))
      3.000     1.700     1.700 peak  1521 weight  0.10000E+01 volume  0.13624E-02 ppm1      2.070 ppm2      4.250 CV     1
 OR { 1521}
   (( segid "SH2 " and resid 27   and name HB2 ))
   (( segid "SH2 " and resid 27   and name HA  ))
 ASSI { 1514}
   (( segid "SH2 " and resid 27   and name HB1 ))
   (( segid "SH2 " and resid 28   and name HN  ))
      3.600     2.000     2.000 peak  1514 weight  0.10000E+01 volume  0.85680E-03 ppm1      2.050 ppm2      8.860 CV     1
 OR { 1514}
   (( segid "SH2 " and resid 27   and name HB2 ))
   (( segid "SH2 " and resid 28   and name HN  ))
 ASSI {  511}
   (( segid "SH2 " and resid 35   and name HA  ))
   (( segid "SH2 " and resid 35   and name HN  ))
      2.800     1.700     1.700 peak   511 weight  0.10000E+01 volume  0.13446E-02 ppm1      5.370 ppm2     -0.410 CV     1
 ASSI { 1038}
   (( segid "SH2 " and resid 12   and name HH2 ))
   (( segid "SH2 " and resid 12   and name HE3 ))
      4.300     2.000     1.700 peak  1038 weight  0.10000E+01 volume  0.82142E-03 ppm1      7.110 ppm2      7.590 CV     1
 ASSI { 1526}
   (( segid "SH2 " and resid 27   and name HB2 ))
   (  segid "SH2 " and resid 24   and name HD1%)
      4.700     2.000     1.300 peak  1526 weight  0.10000E+01 volume  0.84168E-03 ppm1      2.060 ppm2      0.540 CV     1
 OR { 1526}
   (( segid "SH2 " and resid 27   and name HB1 ))
   (  segid "SH2 " and resid 24   and name HD1%)
 ASSI { 2746}
   (( segid "SH2 " and resid 29   and name HB2 ))
   (( segid "SH2 " and resid 30   and name HA1 ))
      3.300     1.600     1.600 peak  2746 weight  0.10000E+01 volume  0.15948E-02 ppm1      3.130 ppm2      4.730 CV     1
 OR { 2746}
   (( segid "SH2 " and resid 29   and name HB1 ))
   (( segid "SH2 " and resid 30   and name HA1 ))
 ASSI {  510}
   (( segid "SH2 " and resid 35   and name HA  ))
   (( segid "SH2 " and resid 35   and name HB2 ))
      2.500     1.300     1.300 peak   510 weight  0.10000E+01 volume  0.31594E-02 ppm1      5.360 ppm2      1.460 CV     1
 ASSI {  508}
   (( segid "SH2 " and resid 35   and name HA  ))
   (( segid "SH2 " and resid 13   and name HA1 ))
      4.400     2.000     1.600 peak   508 weight  0.10000E+01 volume  0.81134E-03 ppm1      5.370 ppm2      3.610 CV     1
 ASSI {  509}
   (( segid "SH2 " and resid 35   and name HA  ))
   (( segid "SH2 " and resid 35   and name HB1 ))
      2.500     1.400     1.400 peak   509 weight  0.10000E+01 volume  0.28813E-02 ppm1      5.360 ppm2      2.400 CV     1
 ASSI {  505}
   (( segid "SH2 " and resid 35   and name HA  ))
   (  segid "SH2 " and resid 11   and name HD% )
      3.300     1.800     1.800 peak   505 weight  0.10000E+01 volume  0.11247E-02 ppm1      5.370 ppm2      7.030 CV     1
 ASSI {  506}
   (( segid "SH2 " and resid 35   and name HA  ))
   (  segid "SH2 " and resid 11   and name HE% )
      3.400     1.800     1.800 peak   506 weight  0.10000E+01 volume  0.11247E-02 ppm1      5.380 ppm2      6.970 CV     1
 ASSI { 2745}
   (( segid "SH2 " and resid 29   and name HB1 ))
   (( segid "SH2 " and resid 29   and name HA  ))
      2.900     1.600     1.600 peak  2745 weight  0.10000E+01 volume  0.16429E-02 ppm1      3.130 ppm2      4.580 CV     1
 OR { 2745}
   (( segid "SH2 " and resid 29   and name HB2 ))
   (( segid "SH2 " and resid 29   and name HA  ))
 ASSI {  137}
   (( segid "SH2 " and resid 10   and name HH2 ))
   (  segid "SH2 " and resid 94   and name HD2%)
      4.200     1.800     1.800 peak   137 weight  0.10000E+01 volume  0.12182E-02 ppm1      6.950 ppm2      0.370 CV     1
 ASSI {  131}
   (( segid "SH2 " and resid 10   and name HH2 ))
   (( segid "SH2 " and resid 95   and name HD1 ))
      3.000     1.900     1.900 peak   131 weight  0.10000E+01 volume  0.10034E-02 ppm1      6.950 ppm2      3.780 CV     1
 OR {  131}
   (( segid "SH2 " and resid 10   and name HH2 ))
   (( segid "SH2 " and resid 95   and name HD2 ))
 ASSI {  134}
   (( segid "SH2 " and resid 10   and name HH2 ))
   (( segid "SH2 " and resid 94   and name HB2 ))
      2.800     1.700     1.700 peak   134 weight  0.10000E+01 volume  0.14685E-02 ppm1      6.940 ppm2      1.170 CV     1
 OR {  134}
   (( segid "SH2 " and resid 10   and name HH2 ))
   (( segid "SH2 " and resid 94   and name HB1 ))
 ASSI {  130}
   (( segid "SH2 " and resid 10   and name HH2 ))
   (( segid "SH2 " and resid 10   and name HZ3 ))
      2.400     1.300     1.300 peak   130 weight  0.10000E+01 volume  0.31594E-02 ppm1      6.940 ppm2      6.760 CV     1
 ASSI { 3406}
   (( segid "SH2 " and resid 73   and name HA  ))
   (  segid "SH2 " and resid 73   and name HB% )
      2.800     1.300     1.300 peak  3406 weight  0.10000E+01 volume  0.32605E-02 ppm1      4.290 ppm2      1.330 CV     1
 ASSI { 3409}
   (( segid "SH2 " and resid 73   and name HA  ))
   (( segid "SH2 " and resid 73   and name HN  ))
      3.300     1.800     1.800 peak  3409 weight  0.10000E+01 volume  0.11728E-02 ppm1      4.290 ppm2      7.950 CV     1
 ASSI { 1319}
   (  segid "SH2 " and resid 33   and name HD1%)
   (( segid "SH2 " and resid 47   and name HB1 ))
      3.900     1.900     1.900 peak  1319 weight  0.10000E+01 volume  0.99333E-03 ppm1     -0.090 ppm2      3.530 CV     1
 ASSI { 1316}
   (  segid "SH2 " and resid 33   and name HD1%)
   (( segid "SH2 " and resid 12   and name HD1 ))
      3.200     1.800     1.800 peak  1316 weight  0.10000E+01 volume  0.12410E-02 ppm1     -0.090 ppm2      7.430 CV     1
 ASSI { 2532}
   (  segid "SH2 " and resid 33   and name HD1%)
   (( segid "SH2 " and resid 35   and name HB2 ))
      3.300     1.200     1.200 peak  2532 weight  0.10000E+01 volume  0.41704E-02 ppm1     -0.090 ppm2      1.450 CV     1
 ASSI {  452}
   (  segid "SH2 " and resid 33   and name HD1%)
   (( segid "SH2 " and resid 33   and name HB2 ))
      2.300     1.200     1.200 peak   452 weight  0.10000E+01 volume  0.46759E-02 ppm1     -0.090 ppm2      1.780 CV     1
 OR {  452}
   (  segid "SH2 " and resid 33   and name HD1%)
   (( segid "SH2 " and resid 33   and name HB1 ))
 ASSI { 1537}
   (  segid "SH2 " and resid 33   and name HD1%)
   (  segid "SH2 " and resid 115  and name HG2%)
      3.400     1.200     1.200 peak  1537 weight  0.10000E+01 volume  0.51056E-02 ppm1     -0.090 ppm2      0.810 CV     1
 ASSI {  448}
   (  segid "SH2 " and resid 33   and name HD1%)
   (( segid "SH2 " and resid 33   and name HA  ))
      3.900     2.000     2.000 peak   448 weight  0.10000E+01 volume  0.87197E-03 ppm1     -0.090 ppm2      4.770 CV     1
 ASSI {  326}
   (  segid "SH2 " and resid 24   and name HD1%)
   (( segid "SH2 " and resid 47   and name HA  ))
      4.100     2.000     1.900 peak   326 weight  0.10000E+01 volume  0.83659E-03 ppm1      0.550 ppm2      5.750 CV     1
 ASSI { 2803}
   (( segid "SH2 " and resid 17   and name HG2 ))
   (( segid "SH2 " and resid 56   and name HD2 ))
      3.900     2.100     2.100 peak  2803 weight  0.10000E+01 volume  0.67232E-03 ppm1      1.990 ppm2      7.000 CV     1
 OR { 2803}
   (( segid "SH2 " and resid 17   and name HG1 ))
   (( segid "SH2 " and resid 56   and name HD2 ))
 ASSI {  322}
   (  segid "SH2 " and resid 24   and name HD1%)
   (( segid "SH2 " and resid 48   and name HN  ))
      3.900     2.000     2.000 peak   322 weight  0.10000E+01 volume  0.84927E-03 ppm1      0.550 ppm2      8.780 CV     1
 ASSI {  329}
   (  segid "SH2 " and resid 24   and name HD1%)
   (( segid "SH2 " and resid 47   and name HB1 ))
      2.400     1.300     1.300 peak   329 weight  0.10000E+01 volume  0.35638E-02 ppm1      0.550 ppm2      3.500 CV     1
 ASSI {  327}
   (  segid "SH2 " and resid 24   and name HD1%)
   (( segid "SH2 " and resid 48   and name HA  ))
      3.600     1.500     1.500 peak   327 weight  0.10000E+01 volume  0.19714E-02 ppm1      0.550 ppm2      4.990 CV     1
 ASSI { 1558}
   (( segid "SH2 " and resid 95   and name HG1 ))
   (( segid "SH2 " and resid 10   and name HZ3 ))
      4.700     2.100     1.300 peak  1558 weight  0.10000E+01 volume  0.75321E-03 ppm1      1.830 ppm2      6.730 CV     1
 OR { 1558}
   (( segid "SH2 " and resid 95   and name HG2 ))
   (( segid "SH2 " and resid 10   and name HZ3 ))
 ASSI {  334}
   (  segid "SH2 " and resid 24   and name HD1%)
   (( segid "SH2 " and resid 24   and name HB1 ))
      3.000     1.100     1.100 peak   334 weight  0.10000E+01 volume  0.54594E-02 ppm1      0.550 ppm2      1.670 CV     1
 ASSI {  324}
   (  segid "SH2 " and resid 24   and name HD1%)
   (( segid "SH2 " and resid 24   and name HN  ))
      2.900     1.600     1.600 peak   324 weight  0.10000E+01 volume  0.16909E-02 ppm1      0.550 ppm2      7.390 CV     1
 ASSI { 1562}
   (  segid "SH2 " and resid 24   and name HD1%)
   (( segid "SH2 " and resid 54   and name HA  ))
      4.800     2.100     1.200 peak  1562 weight  0.10000E+01 volume  0.74058E-03 ppm1      0.550 ppm2      4.790 CV     1
 ASSI {  333}
   (  segid "SH2 " and resid 24   and name HD1%)
   (( segid "SH2 " and resid 24   and name HB2 ))
      2.000     1.000     1.000 peak   333 weight  0.10000E+01 volume  0.70770E-02 ppm1      0.550 ppm2      1.480 CV     1
 ASSI { 3377}
   (( segid "SH2 " and resid 117  and name HG2 ))
   (( segid "SH2 " and resid 117  and name HA  ))
      2.800     1.300     1.300 peak  3377 weight  0.10000E+01 volume  0.32099E-02 ppm1      1.460 ppm2      4.390 CV     1
 OR { 3377}
   (( segid "SH2 " and resid 117  and name HG1 ))
   (( segid "SH2 " and resid 117  and name HA  ))
 ASSI { 2689}
   (  segid "SH2 " and resid 24   and name HD1%)
   (  segid "SH2 " and resid 33   and name HD1%)
      3.300     1.200     1.200 peak  2689 weight  0.10000E+01 volume  0.38923E-02 ppm1      0.540 ppm2     -0.090 CV     1
 ASSI { 2938}
   (  segid "SH2 " and resid 15   and name HD2%)
   (( segid "SH2 " and resid 15   and name HB2 ))
      2.300     1.000     1.000 peak  2938 weight  0.10000E+01 volume  0.78604E-02 ppm1      0.500 ppm2      1.520 CV     1
 ASSI { 3260}
   (  segid "SH2 " and resid 15   and name HD2%)
   (  segid "SH2 " and resid 15   and name HD1%)
      2.200     1.000     1.000 peak  3260 weight  0.10000E+01 volume  0.86189E-02 ppm1      0.500 ppm2      1.010 CV     1
 ASSI { 3259}
   (  segid "SH2 " and resid 15   and name HD2%)
   (( segid "SH2 " and resid 15   and name HB1 ))
      2.100     1.100     1.100 peak  3259 weight  0.10000E+01 volume  0.55352E-02 ppm1      0.500 ppm2      1.740 CV     1
 ASSI { 2936}
   (  segid "SH2 " and resid 15   and name HD2%)
   (( segid "SH2 " and resid 12   and name HB2 ))
      2.800     1.500     1.500 peak  2936 weight  0.10000E+01 volume  0.21838E-02 ppm1      0.500 ppm2      2.610 CV     1
 ASSI {  181}
   (  segid "SH2 " and resid 15   and name HD2%)
   (( segid "SH2 " and resid 16   and name HN  ))
      4.500     2.000     1.500 peak   181 weight  0.10000E+01 volume  0.79113E-03 ppm1      0.500 ppm2      8.930 CV     1
 ASSI { 1391}
   (( segid "SH2 " and resid 53   and name HG1 ))
   (( segid "SH2 " and resid 53   and name HA  ))
      3.300     1.400     1.400 peak  1391 weight  0.10000E+01 volume  0.23834E-02 ppm1      1.660 ppm2      5.180 CV     1
 OR { 1391}
   (( segid "SH2 " and resid 53   and name HG2 ))
   (( segid "SH2 " and resid 53   and name HA  ))
 ASSI { 1386}
   (( segid "SH2 " and resid 53   and name HG1 ))
   (( segid "SH2 " and resid 54   and name HN  ))
      3.400     1.400     1.400 peak  1386 weight  0.10000E+01 volume  0.23860E-02 ppm1      1.650 ppm2      7.930 CV     1
 OR { 1386}
   (( segid "SH2 " and resid 53   and name HG2 ))
   (( segid "SH2 " and resid 54   and name HN  ))
 ASSI { 3388}
   (( segid "SH2 " and resid 114  and name HD1 ))
   (  segid "SH2 " and resid 32   and name HD% )
      3.900     1.900     1.900 peak  3388 weight  0.10000E+01 volume  0.10464E-02 ppm1      3.720 ppm2      6.720 CV     1
 ASSI {  865}
   (  segid "SH2 " and resid 106  and name HD1%)
   (( segid "SH2 " and resid 107  and name HN  ))
      5.000     1.800     1.000 peak   865 weight  0.10000E+01 volume  0.11020E-02 ppm1      0.360 ppm2      8.450 CV     1
 ASSI {  866}
   (  segid "SH2 " and resid 106  and name HD1%)
   (( segid "SH2 " and resid 106  and name HN  ))
      3.500     1.500     1.500 peak   866 weight  0.10000E+01 volume  0.19411E-02 ppm1      0.360 ppm2      7.890 CV     1
 ASSI { 1279}
   (  segid "SH2 " and resid 106  and name HD1%)
   (( segid "SH2 " and resid 106  and name HA  ))
      2.900     1.500     1.500 peak  1279 weight  0.10000E+01 volume  0.23101E-02 ppm1      0.360 ppm2      4.110 CV     1
 ASSI { 1282}
   (  segid "SH2 " and resid 106  and name HD1%)
   (( segid "SH2 " and resid 106  and name HB1 ))
      3.300     3.300     2.700 peak  1282 weight  0.10000E+01 volume  0.36901E-02 ppm1      0.360 ppm2      1.670 CV     1
 ASSI {  879}
   (  segid "SH2 " and resid 106  and name HD1%)
   (( segid "SH2 " and resid 106  and name HB2 ))
      1.900     0.900     0.900 peak   879 weight  0.10000E+01 volume  0.13168E-01 ppm1      0.370 ppm2      1.240 CV     1
 ASSI {  878}
   (  segid "SH2 " and resid 106  and name HD1%)
   (  segid "SH2 " and resid 106  and name HD2%)
      2.200     0.900     0.900 peak   878 weight  0.10000E+01 volume  0.11121E-01 ppm1      0.360 ppm2     -0.670 CV     1
 ASSI { 1278}
   (  segid "SH2 " and resid 106  and name HD1%)
   (  segid "SH2 " and resid 57   and name HE% )
      3.900     1.600     1.600 peak  1278 weight  0.10000E+01 volume  0.17794E-02 ppm1      0.360 ppm2      6.370 CV     1
 ASSI { 1696}
   (  segid "SH2 " and resid 106  and name HD1%)
   (( segid "PEP " and resid 224  and name HD1 ))
      4.200     1.900     1.800 peak  1696 weight  0.10000E+01 volume  0.98065E-03 ppm1      0.360 ppm2      3.790 CV     1
 ASSI { 2948}
   (  segid "SH2 " and resid 106  and name HD1%)
   (  segid "SH2 " and resid 100  and name HE% )
      3.100     3.100     2.900 peak  2948 weight  0.10000E+01 volume  0.16581E-02 ppm1      0.370 ppm2      7.030 CV     1
 ASSI { 1283}
   (  segid "SH2 " and resid 106  and name HD1%)
   (  segid "SH2 " and resid 48   and name HG2%)
      2.900     2.900     3.100 peak  1283 weight  0.10000E+01 volume  0.80121E-02 ppm1      0.370 ppm2      0.900 CV     1
 OR { 1283}
   (  segid "SH2 " and resid 106  and name HD1%)
   (  segid "SH2 " and resid 48   and name HG1%)
 ASSI { 2949}
   (  segid "SH2 " and resid 106  and name HD1%)
   (( segid "SH2 " and resid 101  and name HB1 ))
      3.300     1.600     1.600 peak  2949 weight  0.10000E+01 volume  0.16934E-02 ppm1      0.370 ppm2      3.320 CV     1
 ASSI { 1698}
   (  segid "SH2 " and resid 46   and name HD2%)
   (( segid "SH2 " and resid 32   and name HB2 ))
      4.100     2.000     1.900 peak  1698 weight  0.10000E+01 volume  0.82900E-03 ppm1      0.370 ppm2      2.650 CV     1
 ASSI { 1281}
   (  segid "SH2 " and resid 46   and name HD2%)
   (( segid "SH2 " and resid 57   and name HB2 ))
      4.100     1.800     1.800 peak  1281 weight  0.10000E+01 volume  0.10793E-02 ppm1      0.370 ppm2      2.810 CV     1
 ASSI { 1292}
   (  segid "SH2 " and resid 46   and name HD2%)
   (( segid "SH2 " and resid 56   and name HA  ))
      4.300     2.100     1.700 peak  1292 weight  0.10000E+01 volume  0.74811E-03 ppm1      0.380 ppm2      4.940 CV     1
 ASSI { 1285}
   (  segid "SH2 " and resid 106  and name HD1%)
   (  segid "SH2 " and resid 57   and name HD% )
      3.700     1.500     1.500 peak  1285 weight  0.10000E+01 volume  0.21787E-02 ppm1      0.370 ppm2      6.710 CV     1
 ASSI { 3394}
   (( segid "SH2 " and resid 41   and name HD2 ))
   (( segid "SH2 " and resid 40   and name HA  ))
      2.300     1.200     1.200 peak  3394 weight  0.10000E+01 volume  0.47517E-02 ppm1      3.520 ppm2      4.880 CV     1
 ASSI { 3392}
   (( segid "SH2 " and resid 114  and name HD1 ))
   (( segid "SH2 " and resid 113  and name HA  ))
      2.400     1.000     1.000 peak  3392 weight  0.10000E+01 volume  0.69756E-02 ppm1      3.720 ppm2      4.990 CV     1
 ASSI { 2241}
   (  segid "SH2 " and resid 46   and name HD2%)
   (( segid "SH2 " and resid 46   and name HA  ))
      2.900     1.900     1.900 peak  2241 weight  0.10000E+01 volume  0.10287E-02 ppm1      0.380 ppm2      5.150 CV     1
 ASSI { 2957}
   (  segid "SH2 " and resid 23   and name HD1%)
   (( segid "SH2 " and resid 23   and name HB2 ))
      2.400     1.100     1.100 peak  2957 weight  0.10000E+01 volume  0.63948E-02 ppm1      0.000 ppm2      1.510 CV     1
 OR { 2957}
   (  segid "SH2 " and resid 23   and name HD1%)
   (( segid "SH2 " and resid 23   and name HB1 ))
 ASSI { 2958}
   (  segid "SH2 " and resid 23   and name HD1%)
   (( segid "SH2 " and resid 12   and name HH2 ))
      2.900     1.400     1.400 peak  2958 weight  0.10000E+01 volume  0.27550E-02 ppm1      0.000 ppm2      7.080 CV     1
 ASSI { 2270}
   (  segid "SH2 " and resid 111  and name HD1%)
   (( segid "SH2 " and resid 101  and name HB2 ))
      3.500     1.500     1.500 peak  2270 weight  0.10000E+01 volume  0.23253E-02 ppm1     -0.010 ppm2      2.180 CV     1
 ASSI { 2274}
   (  segid "SH2 " and resid 84   and name HD1%)
   (  segid "SH2 " and resid 94   and name HD2%)
      3.100     1.500     1.500 peak  2274 weight  0.10000E+01 volume  0.19487E-02 ppm1      0.680 ppm2      0.370 CV     1
 ASSI { 2960}
   (  segid "SH2 " and resid 84   and name HD1%)
   (  segid "SH2 " and resid 44   and name HD% )
      3.400     1.900     1.900 peak  2960 weight  0.10000E+01 volume  0.10135E-02 ppm1      0.680 ppm2      7.030 CV     1
 ASSI { 2966}
   (( segid "SH2 " and resid 102  and name HG2 ))
   (( segid "SH2 " and resid 102  and name HB1 ))
      2.100     0.900     0.900 peak  2966 weight  0.10000E+01 volume  0.10160E-01 ppm1      1.220 ppm2      1.630 CV     1
 OR { 2966}
   (( segid "SH2 " and resid 102  and name HG1 ))
   (( segid "SH2 " and resid 102  and name HB2 ))
 OR { 2966}
   (( segid "SH2 " and resid 102  and name HG2 ))
   (( segid "SH2 " and resid 102  and name HB2 ))
 OR { 2966}
   (( segid "SH2 " and resid 102  and name HG1 ))
   (( segid "SH2 " and resid 102  and name HB1 ))
 ASSI { 2263}
   (( segid "SH2 " and resid 102  and name HG1 ))
   (( segid "SH2 " and resid 102  and name HA  ))
      2.700     1.600     1.600 peak  2263 weight  0.10000E+01 volume  0.18097E-02 ppm1      1.210 ppm2      4.550 CV     1
 OR { 2263}
   (( segid "SH2 " and resid 102  and name HG2 ))
   (( segid "SH2 " and resid 102  and name HA  ))
 ASSI { 2284}
   (  segid "SH2 " and resid 111  and name HD1%)
   (( segid "SH2 " and resid 111  and name HN  ))
      2.700     1.600     1.600 peak  2284 weight  0.10000E+01 volume  0.15948E-02 ppm1     -0.020 ppm2      8.940 CV     1
 ASSI { 2965}
   (( segid "SH2 " and resid 102  and name HG1 ))
   (( segid "SH2 " and resid 102  and name HD2 ))
      2.400     1.200     1.200 peak  2965 weight  0.10000E+01 volume  0.39935E-02 ppm1      1.220 ppm2      1.860 CV     1
 OR { 2965}
   (( segid "SH2 " and resid 102  and name HG2 ))
   (( segid "SH2 " and resid 102  and name HD2 ))
 OR { 2965}
   (( segid "SH2 " and resid 102  and name HG1 ))
   (( segid "SH2 " and resid 102  and name HD1 ))
 OR { 2965}
   (( segid "SH2 " and resid 102  and name HG2 ))
   (( segid "SH2 " and resid 102  and name HD1 ))
 ASSI { 2259}
   (  segid "SH2 " and resid 84   and name HD1%)
   (( segid "SH2 " and resid 94   and name HA  ))
      2.600     2.600     3.400 peak  2259 weight  0.10000E+01 volume  0.32099E-02 ppm1      0.680 ppm2      4.020 CV     1
 ASSI { 2962}
   (  segid "SH2 " and resid 84   and name HD1%)
   (( segid "SH2 " and resid 84   and name HA  ))
      3.700     3.700     2.300 peak  2962 weight  0.10000E+01 volume  0.12663E-02 ppm1      0.690 ppm2      5.180 CV     1
 ASSI { 2271}
   (  segid "SH2 " and resid 111  and name HD1%)
   (( segid "SH2 " and resid 111  and name HB1 ))
      2.800     1.000     1.000 peak  2271 weight  0.10000E+01 volume  0.74562E-02 ppm1     -0.020 ppm2      1.290 CV     1
 ASSI { 2258}
   (  segid "SH2 " and resid 111  and name HD1%)
   (( segid "SH2 " and resid 101  and name HB1 ))
      2.500     1.300     1.300 peak  2258 weight  0.10000E+01 volume  0.37407E-02 ppm1     -0.010 ppm2      3.350 CV     1
 ASSI { 2963}
   (  segid "SH2 " and resid 111  and name HD2%)
   (( segid "SH2 " and resid 111  and name HA  ))
      3.900     1.700     1.700 peak  2963 weight  0.10000E+01 volume  0.14659E-02 ppm1     -0.010 ppm2      4.420 CV     1
 ASSI { 2256}
   (  segid "SH2 " and resid 84   and name HD1%)
   (( segid "SH2 " and resid 83   and name HA  ))
      3.900     1.500     1.500 peak  2256 weight  0.10000E+01 volume  0.23682E-02 ppm1      0.680 ppm2      4.560 CV     1
 ASSI { 2277}
   (( segid "SH2 " and resid 98   and name HG  ))
   (  segid "SH2 " and resid 98   and name HD1%)
      2.600     1.500     1.500 peak  2277 weight  0.10000E+01 volume  0.19386E-02 ppm1      1.230 ppm2     -0.440 CV     1
 ASSI {  722}
   (  segid "SH2 " and resid 84   and name HD1%)
   (( segid "SH2 " and resid 84   and name HN  ))
      4.300     2.000     1.700 peak   722 weight  0.10000E+01 volume  0.83659E-03 ppm1      0.690 ppm2      8.700 CV     1
 ASSI { 2260}
   (  segid "SH2 " and resid 84   and name HD1%)
   (( segid "SH2 " and resid 95   and name HD2 ))
      4.000     1.700     1.700 peak  2260 weight  0.10000E+01 volume  0.13699E-02 ppm1      0.680 ppm2      3.810 CV     1
 OR { 2260}
   (  segid "SH2 " and resid 84   and name HD1%)
   (( segid "SH2 " and resid 95   and name HD1 ))
 ASSI { 2526}
   (  segid "SH2 " and resid 111  and name HD2%)
   (  segid "SH2 " and resid 98   and name HD1%)
      4.600     2.100     1.400 peak  2526 weight  0.10000E+01 volume  0.71528E-03 ppm1     -0.020 ppm2     -0.440 CV     1
 ASSI { 2527}
   (  segid "SH2 " and resid 111  and name HD2%)
   (  segid "SH2 " and resid 106  and name HD2%)
      3.000     3.000     3.000 peak  2527 weight  0.10000E+01 volume  0.72032E-03 ppm1     -0.020 ppm2     -0.670 CV     1
 ASSI { 2269}
   (  segid "SH2 " and resid 33   and name HD1%)
   (( segid "SH2 " and resid 33   and name HG  ))
      2.000     1.000     1.000 peak  2269 weight  0.10000E+01 volume  0.95037E-02 ppm1      0.630 ppm2      1.610 CV     1
 ASSI { 2262}
   (  segid "SH2 " and resid 33   and name HD1%)
   (( segid "SH2 " and resid 47   and name HB2 ))
      2.700     1.400     1.400 peak  2262 weight  0.10000E+01 volume  0.27297E-02 ppm1      0.630 ppm2      3.400 CV     1
 ASSI { 2261}
   (  segid "SH2 " and resid 33   and name HD1%)
   (( segid "SH2 " and resid 35   and name HD1 ))
      3.000     1.400     1.400 peak  2261 weight  0.10000E+01 volume  0.29824E-02 ppm1      0.630 ppm2      3.520 CV     1
 OR { 2261}
   (  segid "SH2 " and resid 33   and name HD1%)
   (( segid "SH2 " and resid 35   and name HD2 ))
 ASSI { 2961}
   (  segid "SH2 " and resid 33   and name HD1%)
   (( segid "SH2 " and resid 35   and name HA  ))
      4.000     2.000     2.000 peak  2961 weight  0.10000E+01 volume  0.81383E-03 ppm1      0.630 ppm2      5.360 CV     1
 ASSI { 2252}
   (  segid "SH2 " and resid 33   and name HD1%)
   (( segid "SH2 " and resid 32   and name HA  ))
      4.400     2.000     1.600 peak  2252 weight  0.10000E+01 volume  0.82142E-03 ppm1      0.640 ppm2      5.960 CV     1
 ASSI { 2253}
   (  segid "SH2 " and resid 33   and name HD1%)
   (( segid "SH2 " and resid 34   and name HA  ))
      3.200     1.900     1.900 peak  2253 weight  0.10000E+01 volume  0.93520E-03 ppm1      0.640 ppm2      5.800 CV     1
 ASSI { 2692}
   (  segid "SH2 " and resid 33   and name HD1%)
   (( segid "SH2 " and resid 35   and name HE  ))
      3.800     2.000     2.000 peak  2692 weight  0.10000E+01 volume  0.88465E-03 ppm1      0.630 ppm2      6.440 CV     1
 ASSI { 2808}
   (( segid "SH2 " and resid 64   and name HD1 ))
   (( segid "SH2 " and resid 63   and name HA1 ))
      2.100     0.900     0.900 peak  2808 weight  0.10000E+01 volume  0.12410E-01 ppm1      3.580 ppm2      4.140 CV     1
 OR { 2808}
   (( segid "SH2 " and resid 64   and name HD2 ))
   (( segid "SH2 " and resid 63   and name HA1 ))
 OR { 2808}
   (( segid "SH2 " and resid 64   and name HD1 ))
   (( segid "SH2 " and resid 63   and name HA2 ))
 ASSI { 2283}
   (( segid "SH2 " and resid 64   and name HD1 ))
   (( segid "SH2 " and resid 63   and name HN  ))
      4.200     2.100     1.800 peak  2283 weight  0.10000E+01 volume  0.72032E-03 ppm1      3.590 ppm2      8.280 CV     1
 OR { 2283}
   (( segid "SH2 " and resid 64   and name HD2 ))
   (( segid "SH2 " and resid 63   and name HN  ))
 ASSI { 2287}
   (  segid "SH2 " and resid 33   and name HD1%)
   (( segid "SH2 " and resid 47   and name HN  ))
      3.300     1.700     1.700 peak  2287 weight  0.10000E+01 volume  0.14457E-02 ppm1      0.630 ppm2     -0.940 CV     1
 ASSI {  727}
   (  segid "SH2 " and resid 46   and name HD1%)
   (( segid "SH2 " and resid 35   and name HN  ))
      4.200     1.800     1.800 peak   727 weight  0.10000E+01 volume  0.11374E-02 ppm1      0.630 ppm2     -0.410 CV     1
 ASSI {  726}
   (  segid "SH2 " and resid 33   and name HD1%)
   (( segid "SH2 " and resid 33   and name HN  ))
      3.000     1.300     1.300 peak   726 weight  0.10000E+01 volume  0.38165E-02 ppm1      0.630 ppm2     -0.670 CV     1
 ASSI { 2292}
   (  segid "SH2 " and resid 33   and name HD2%)
   (( segid "SH2 " and resid 33   and name HA  ))
      4.200     1.700     1.700 peak  2292 weight  0.10000E+01 volume  0.14381E-02 ppm1      0.630 ppm2      4.770 CV     1
 ASSI { 1104}
   (( segid "SH2 " and resid 56   and name HE1 ))
   (( segid "SH2 " and resid 56   and name HB2 ))
      3.900     1.900     1.900 peak  1104 weight  0.10000E+01 volume  0.10439E-02 ppm1      7.020 ppm2      2.690 CV     1
 ASSI { 3289}
   (( segid "SH2 " and resid 56   and name HD2 ))
   (( segid "SH2 " and resid 55   and name HA  ))
      3.600     2.000     2.000 peak  3289 weight  0.10000E+01 volume  0.79872E-03 ppm1      7.020 ppm2      4.490 CV     1
 ASSI { 1103}
   (( segid "SH2 " and resid 56   and name HE1 ))
   (( segid "SH2 " and resid 56   and name HB1 ))
      3.900     1.700     1.700 peak  1103 weight  0.10000E+01 volume  0.14432E-02 ppm1      7.010 ppm2      3.040 CV     1
 ASSI {  200}
   (  segid "SH2 " and resid 15   and name HD1%)
   (( segid "SH2 " and resid 12   and name HB1 ))
      3.200     1.800     1.800 peak   200 weight  0.10000E+01 volume  0.12107E-02 ppm1      1.020 ppm2      3.620 CV     1
 ASSI {  197}
   (  segid "SH2 " and resid 15   and name HD1%)
   (( segid "SH2 " and resid 12   and name HH2 ))
      4.000     1.900     1.900 peak   197 weight  0.10000E+01 volume  0.10464E-02 ppm1      1.020 ppm2      7.070 CV     1
 ASSI {  201}
   (  segid "SH2 " and resid 15   and name HD1%)
   (( segid "SH2 " and resid 12   and name HB2 ))
      4.300     1.900     1.700 peak   201 weight  0.10000E+01 volume  0.91493E-03 ppm1      1.010 ppm2      2.610 CV     1
 ASSI { 2970}
   (  segid "SH2 " and resid 15   and name HD1%)
   (( segid "SH2 " and resid 12   and name HE3 ))
      2.600     1.400     1.400 peak  2970 weight  0.10000E+01 volume  0.29572E-02 ppm1      1.020 ppm2      7.590 CV     1
 ASSI { 3291}
   (( segid "SH2 " and resid 56   and name HD2 ))
   (  segid "SH2 " and resid 21   and name HG1%)
      3.000     3.000     3.000 peak  3291 weight  0.10000E+01 volume  0.67735E-03 ppm1      7.010 ppm2      1.230 CV     1
 ASSI { 1076}
   (  segid "SH2 " and resid 46   and name HD2%)
   (( segid "SH2 " and resid 46   and name HG  ))
      2.300     1.200     1.200 peak  1076 weight  0.10000E+01 volume  0.45495E-02 ppm1      0.370 ppm2      1.910 CV     1
 ASSI { 1075}
   (  segid "SH2 " and resid 46   and name HD2%)
   (( segid "SH2 " and resid 46   and name HB1 ))
      2.600     0.900     0.900 peak  1075 weight  0.10000E+01 volume  0.98824E-02 ppm1      0.370 ppm2      1.370 CV     1
 ASSI { 1074}
   (  segid "SH2 " and resid 94   and name HD1%)
   (( segid "SH2 " and resid 94   and name HB2 ))
      2.300     1.100     1.100 peak  1074 weight  0.10000E+01 volume  0.52825E-02 ppm1      0.370 ppm2      1.180 CV     1
 OR { 1074}
   (  segid "SH2 " and resid 94   and name HD1%)
   (( segid "SH2 " and resid 94   and name HB1 ))
 ASSI { 1063}
   (  segid "SH2 " and resid 94   and name HD1%)
   (( segid "SH2 " and resid 10   and name HH2 ))
      2.800     1.400     1.400 peak  1063 weight  0.10000E+01 volume  0.29319E-02 ppm1      0.370 ppm2      6.950 CV     1
 ASSI { 2976}
   (  segid "SH2 " and resid 54   and name HG2%)
   (( segid "SH2 " and resid 20   and name HA  ))
      2.700     2.700     3.300 peak  2976 weight  0.10000E+01 volume  0.14280E-02 ppm1      0.370 ppm2      3.780 CV     1
 ASSI { 1064}
   (  segid "SH2 " and resid 94   and name HD1%)
   (( segid "SH2 " and resid 10   and name HZ3 ))
      2.300     1.300     1.300 peak  1064 weight  0.10000E+01 volume  0.33616E-02 ppm1      0.370 ppm2      6.760 CV     1
 ASSI { 1069}
   (  segid "SH2 " and resid 94   and name HD1%)
   (( segid "SH2 " and resid 44   and name HB2 ))
      4.000     1.900     1.900 peak  1069 weight  0.10000E+01 volume  0.95541E-03 ppm1      0.370 ppm2      2.700 CV     1
 ASSI {   53}
   (( segid "SH2 " and resid 12   and name HE3 ))
   (  segid "SH2 " and resid 15   and name HD2%)
      3.800     1.900     1.900 peak    53 weight  0.10000E+01 volume  0.10413E-02 ppm1      7.580 ppm2      0.510 CV     1
 ASSI {  992}
   (( segid "SH2 " and resid 10   and name HZ3 ))
   (( segid "SH2 " and resid 10   and name HE3 ))
      2.800     1.800     1.800 peak   992 weight  0.10000E+01 volume  0.12233E-02 ppm1      6.750 ppm2      7.470 CV     1
 ASSI { 1061}
   (  segid "SH2 " and resid 94   and name HD1%)
   (( segid "SH2 " and resid 10   and name HZ2 ))
      4.600     1.900     1.400 peak  1061 weight  0.10000E+01 volume  0.92761E-03 ppm1      0.360 ppm2      7.450 CV     1
 ASSI {  772}
   (  segid "SH2 " and resid 46   and name HD1%)
   (  segid "SH2 " and resid 32   and name HE% )
      4.100     1.700     1.700 peak   772 weight  0.10000E+01 volume  0.14963E-02 ppm1      0.580 ppm2      7.620 CV     1
 ASSI { 2306}
   (  segid "SH2 " and resid 46   and name HD1%)
   (( segid "SH2 " and resid 32   and name HB1 ))
      3.200     1.300     1.300 peak  2306 weight  0.10000E+01 volume  0.31594E-02 ppm1      0.570 ppm2      3.230 CV     1
 ASSI {  779}
   (  segid "SH2 " and resid 46   and name HD1%)
   (( segid "SH2 " and resid 46   and name HA  ))
      2.400     1.200     1.200 peak   779 weight  0.10000E+01 volume  0.48275E-02 ppm1      0.570 ppm2      5.150 CV     1
 ASSI {  777}
   (  segid "SH2 " and resid 46   and name HD1%)
   (  segid "SH2 " and resid 98   and name HD2%)
      1.900     0.900     0.900 peak   777 weight  0.10000E+01 volume  0.11121E-01 ppm1      0.570 ppm2     -0.010 CV     1
 ASSI { 3251}
   (  segid "SH2 " and resid 46   and name HD1%)
   (  segid "SH2 " and resid 32   and name HD% )
      2.700     1.200     1.200 peak  3251 weight  0.10000E+01 volume  0.42968E-02 ppm1      0.570 ppm2      6.740 CV     1
 ASSI { 2301}
   (  segid "SH2 " and resid 46   and name HD1%)
   (( segid "SH2 " and resid 32   and name HA  ))
      3.900     1.800     1.800 peak  2301 weight  0.10000E+01 volume  0.11121E-02 ppm1      0.570 ppm2      5.970 CV     1
 ASSI {  778}
   (  segid "SH2 " and resid 46   and name HD1%)
   (( segid "SH2 " and resid 32   and name HB2 ))
      2.500     1.300     1.300 peak   778 weight  0.10000E+01 volume  0.30835E-02 ppm1      0.570 ppm2      2.660 CV     1
 ASSI { 2980}
   (  segid "SH2 " and resid 46   and name HD1%)
   (( segid "SH2 " and resid 101  and name HN  ))
      4.500     1.900     1.500 peak  2980 weight  0.10000E+01 volume  0.90735E-03 ppm1      0.580 ppm2      7.460 CV     1
 ASSI { 3252}
   (  segid "SH2 " and resid 46   and name HD1%)
   (( segid "SH2 " and resid 98   and name HN  ))
      4.100     1.800     1.800 peak  3252 weight  0.10000E+01 volume  0.11171E-02 ppm1      0.570 ppm2      7.840 CV     1
 ASSI { 1096}
   (( segid "SH2 " and resid 10   and name HZ3 ))
   (  segid "SH2 " and resid 94   and name HD2%)
      3.200     1.700     1.700 peak  1096 weight  0.10000E+01 volume  0.15291E-02 ppm1      6.750 ppm2      0.360 CV     1
 ASSI { 2302}
   (  segid "SH2 " and resid 46   and name HD1%)
   (( segid "SH2 " and resid 102  and name HA  ))
      4.300     2.000     1.700 peak  2302 weight  0.10000E+01 volume  0.82142E-03 ppm1      0.590 ppm2      4.560 CV     1
 ASSI { 2305}
   (  segid "SH2 " and resid 46   and name HD1%)
   (( segid "SH2 " and resid 46   and name HB1 ))
      1.800     0.800     0.800 peak  2305 weight  0.10000E+01 volume  0.15721E-01 ppm1      0.580 ppm2      1.360 CV     1
 ASSI { 1092}
   (( segid "SH2 " and resid 10   and name HZ3 ))
   (( segid "SH2 " and resid 11   and name HB1 ))
      4.600     2.200     1.400 peak  1092 weight  0.10000E+01 volume  0.59646E-03 ppm1      6.750 ppm2      2.450 CV     1
 ASSI { 2985}
   (  segid "SH2 " and resid 46   and name HD1%)
   (( segid "SH2 " and resid 46   and name HG  ))
      2.400     1.300     1.300 peak  2985 weight  0.10000E+01 volume  0.35132E-02 ppm1      0.580 ppm2      1.900 CV     1
 ASSI { 2304}
   (  segid "SH2 " and resid 94   and name HD1%)
   (( segid "SH2 " and resid 95   and name HD1 ))
      4.100     1.700     1.700 peak  2304 weight  0.10000E+01 volume  0.13977E-02 ppm1      0.570 ppm2      3.790 CV     1
 OR { 2304}
   (  segid "SH2 " and resid 94   and name HD1%)
   (( segid "SH2 " and resid 95   and name HD2 ))
 ASSI { 2513}
   (  segid "SH2 " and resid 21   and name HG1%)
   (( segid "SH2 " and resid 18   and name HA  ))
      3.300     1.300     1.300 peak  2513 weight  0.10000E+01 volume  0.34879E-02 ppm1      1.230 ppm2      3.940 CV     1
 ASSI {  287}
   (  segid "SH2 " and resid 21   and name HG1%)
   (( segid "SH2 " and resid 21   and name HA  ))
      2.300     1.000     1.000 peak   287 weight  0.10000E+01 volume  0.71783E-02 ppm1      1.230 ppm2      3.490 CV     1
 ASSI { 2987}
   (  segid "SH2 " and resid 21   and name HG1%)
   (( segid "SH2 " and resid 54   and name HB  ))
      2.900     1.100     1.100 peak  2987 weight  0.10000E+01 volume  0.53583E-02 ppm1      1.230 ppm2      1.920 CV     1
 ASSI {  776}
   (  segid "SH2 " and resid 94   and name HD1%)
   (( segid "SH2 " and resid 94   and name HN  ))
      3.500     1.400     1.400 peak   776 weight  0.10000E+01 volume  0.23936E-02 ppm1      0.580 ppm2     -0.660 CV     1
 ASSI { 2990}
   (  segid "SH2 " and resid 21   and name HG1%)
   (  segid "SH2 " and resid 54   and name HG2%)
      3.500     1.200     1.200 peak  2990 weight  0.10000E+01 volume  0.44231E-02 ppm1      1.220 ppm2      0.370 CV     1
 ASSI { 3272}
   (  segid "SH2 " and resid 84   and name HD2%)
   (( segid "SH2 " and resid 93   and name HA  ))
      3.300     1.600     1.600 peak  3272 weight  0.10000E+01 volume  0.15948E-02 ppm1      0.890 ppm2      4.550 CV     1
 ASSI { 1250}
   (  segid "SH2 " and resid 84   and name HD2%)
   (( segid "SH2 " and resid 84   and name HN  ))
      3.300     1.600     1.600 peak  1250 weight  0.10000E+01 volume  0.17718E-02 ppm1      0.890 ppm2      8.700 CV     1
 ASSI { 3273}
   (  segid "SH2 " and resid 84   and name HD2%)
   (  segid "SH2 " and resid 44   and name HD% )
      2.600     1.300     1.300 peak  3273 weight  0.10000E+01 volume  0.32857E-02 ppm1      0.890 ppm2      7.040 CV     1
 ASSI { 2612}
   (  segid "SH2 " and resid 84   and name HD2%)
   (( segid "SH2 " and resid 84   and name HA  ))
      2.200     1.100     1.100 peak  2612 weight  0.10000E+01 volume  0.67990E-02 ppm1      0.890 ppm2      5.180 CV     1
 ASSI { 1262}
   (  segid "SH2 " and resid 84   and name HD2%)
   (( segid "SH2 " and resid 84   and name HG  ))
      2.300     1.100     1.100 peak  1262 weight  0.10000E+01 volume  0.52825E-02 ppm1      0.890 ppm2      1.190 CV     1
 ASSI { 2640}
   (  segid "SH2 " and resid 84   and name HD2%)
   (  segid "SH2 " and resid 44   and name HE% )
      2.900     2.900     3.100 peak  2640 weight  0.10000E+01 volume  0.26539E-02 ppm1      0.890 ppm2      6.820 CV     1
 ASSI { 1259}
   (  segid "SH2 " and resid 84   and name HD2%)
   (( segid "SH2 " and resid 84   and name HB1 ))
      2.500     1.000     1.000 peak  1259 weight  0.10000E+01 volume  0.96299E-02 ppm1      0.890 ppm2      1.570 CV     1
 OR { 1259}
   (  segid "SH2 " and resid 84   and name HD2%)
   (( segid "SH2 " and resid 84   and name HB2 ))
 ASSI {  398}
   (  segid "SH2 " and resid 31   and name HG1%)
   (( segid "SH2 " and resid 49   and name HB1 ))
      2.800     1.900     1.900 peak   398 weight  0.10000E+01 volume  0.94278E-03 ppm1      1.080 ppm2      4.360 CV     1
 ASSI {  390}
   (  segid "SH2 " and resid 31   and name HG1%)
   (( segid "SH2 " and resid 31   and name HN  ))
      2.200     1.100     1.100 peak   390 weight  0.10000E+01 volume  0.60156E-02 ppm1      1.070 ppm2      8.130 CV     1
 ASSI {  389}
   (  segid "SH2 " and resid 31   and name HG1%)
   (( segid "SH2 " and resid 28   and name HN  ))
      3.200     1.400     1.400 peak   389 weight  0.10000E+01 volume  0.26033E-02 ppm1      1.070 ppm2      8.870 CV     1
 ASSI {  393}
   (  segid "SH2 " and resid 31   and name HG1%)
   (( segid "SH2 " and resid 31   and name HA  ))
      2.700     1.100     1.100 peak   393 weight  0.10000E+01 volume  0.61922E-02 ppm1      1.070 ppm2      5.300 CV     1
 ASSI { 2314}
   (( segid "SH2 " and resid 109  and name HB  ))
   (  segid "SH2 " and resid 109  and name HG2%)
      2.500     1.100     1.100 peak  2314 weight  0.10000E+01 volume  0.53078E-02 ppm1      4.030 ppm2      1.220 CV     1
 ASSI {  805}
   (  segid "SH2 " and resid 98   and name HD1%)
   (( segid "SH2 " and resid 98   and name HA  ))
      4.100     1.600     1.600 peak   805 weight  0.10000E+01 volume  0.15670E-02 ppm1     -0.440 ppm2      3.360 CV     1
 ASSI {  803}
   (  segid "SH2 " and resid 98   and name HD1%)
   (( segid "SH2 " and resid 10   and name HZ3 ))
      3.000     1.600     1.600 peak   803 weight  0.10000E+01 volume  0.18754E-02 ppm1     -0.440 ppm2      6.740 CV     1
 ASSI { 2316}
   (  segid "SH2 " and resid 98   and name HD1%)
   (( segid "SH2 " and resid 10   and name HB1 ))
      3.100     1.300     1.300 peak  2316 weight  0.10000E+01 volume  0.37660E-02 ppm1     -0.440 ppm2      3.790 CV     1
 ASSI { 2565}
   (  segid "SH2 " and resid 98   and name HD1%)
   (( segid "SH2 " and resid 10   and name HB2 ))
      3.100     2.000     2.000 peak  2565 weight  0.10000E+01 volume  0.77596E-03 ppm1     -0.450 ppm2      3.010 CV     1
 ASSI { 2996}
   (  segid "SH2 " and resid 34   and name HG1%)
   (  segid "SH2 " and resid 98   and name HD1%)
      2.900     1.500     1.500 peak  2996 weight  0.10000E+01 volume  0.22571E-02 ppm1      1.200 ppm2     -0.450 CV     1
 ASSI { 2995}
   (  segid "SH2 " and resid 34   and name HG1%)
   (  segid "SH2 " and resid 98   and name HD2%)
      2.500     1.100     1.100 peak  2995 weight  0.10000E+01 volume  0.67735E-02 ppm1      1.200 ppm2     -0.010 CV     1
 ASSI {  480}
   (  segid "SH2 " and resid 34   and name HG1%)
   (( segid "SH2 " and resid 10   and name HE3 ))
      2.300     1.300     1.300 peak   480 weight  0.10000E+01 volume  0.35385E-02 ppm1      1.200 ppm2      7.480 CV     1
 ASSI {  813}
   (  segid "SH2 " and resid 98   and name HD1%)
   (  segid "SH2 " and resid 98   and name HD2%)
      2.100     0.900     0.900 peak   813 weight  0.10000E+01 volume  0.97307E-02 ppm1     -0.440 ppm2      0.000 CV     1
 ASSI {  801}
   (  segid "SH2 " and resid 98   and name HD1%)
   (( segid "SH2 " and resid 10   and name HH2 ))
      3.300     1.500     1.500 peak   801 weight  0.10000E+01 volume  0.19563E-02 ppm1     -0.440 ppm2      7.070 CV     1
 ASSI { 1016}
   (  segid "SH2 " and resid 98   and name HD1%)
   (( segid "SH2 " and resid 10   and name HZ2 ))
      3.300     1.800     1.800 peak  1016 weight  0.10000E+01 volume  0.12840E-02 ppm1     -0.440 ppm2      7.420 CV     1
 ASSI {  810}
   (  segid "SH2 " and resid 98   and name HD1%)
   (( segid "SH2 " and resid 98   and name HB1 ))
      2.800     1.300     1.300 peak   810 weight  0.10000E+01 volume  0.36396E-02 ppm1     -0.440 ppm2      1.450 CV     1
 ASSI {  812}
   (  segid "SH2 " and resid 98   and name HD1%)
   (( segid "SH2 " and resid 98   and name HB2 ))
      2.300     1.200     1.200 peak   812 weight  0.10000E+01 volume  0.41451E-02 ppm1     -0.440 ppm2      0.700 CV     1
 ASSI {  479}
   (  segid "SH2 " and resid 34   and name HG1%)
   (( segid "SH2 " and resid 10   and name HZ3 ))
      2.400     1.200     1.200 peak   479 weight  0.10000E+01 volume  0.39682E-02 ppm1      1.200 ppm2      6.750 CV     1
 ASSI {  481}
   (  segid "SH2 " and resid 34   and name HG1%)
   (( segid "SH2 " and resid 34   and name HA  ))
      2.900     1.200     1.200 peak   481 weight  0.10000E+01 volume  0.42715E-02 ppm1      1.200 ppm2      5.810 CV     1
 ASSI {  485}
   (  segid "SH2 " and resid 34   and name HG1%)
   (( segid "SH2 " and resid 34   and name HB  ))
      2.100     1.100     1.100 peak   485 weight  0.10000E+01 volume  0.64452E-02 ppm1      1.200 ppm2      2.700 CV     1
 ASSI { 1361}
   (  segid "SH2 " and resid 34   and name HG1%)
   (( segid "SH2 " and resid 46   and name HA  ))
      3.700     1.500     1.500 peak  1361 weight  0.10000E+01 volume  0.23228E-02 ppm1      1.200 ppm2      5.150 CV     1
 ASSI { 2993}
   (  segid "SH2 " and resid 98   and name HD1%)
   (( segid "SH2 " and resid 102  and name HD1 ))
      4.600     1.900     1.400 peak  2993 weight  0.10000E+01 volume  0.97307E-03 ppm1     -0.430 ppm2      1.880 CV     1
 OR { 2993}
   (  segid "SH2 " and resid 98   and name HD1%)
   (( segid "SH2 " and resid 102  and name HD2 ))
 ASSI { 3238}
   (  segid "SH2 " and resid 98   and name HD1%)
   (( segid "SH2 " and resid 95   and name HB1 ))
      4.300     2.100     1.700 peak  3238 weight  0.10000E+01 volume  0.69003E-03 ppm1     -0.450 ppm2      2.340 CV     1
 ASSI {  488}
   (  segid "SH2 " and resid 34   and name HG1%)
   (( segid "SH2 " and resid 34   and name HN  ))
      2.300     1.300     1.300 peak   488 weight  0.10000E+01 volume  0.35385E-02 ppm1      1.200 ppm2     -0.660 CV     1
 ASSI { 1605}
   (( segid "SH2 " and resid 87   and name HA2 ))
   (( segid "SH2 " and resid 86   and name HA  ))
      4.700     2.000     1.300 peak  1605 weight  0.10000E+01 volume  0.88210E-03 ppm1      3.760 ppm2      4.840 CV     1
 ASSI { 3236}
   (( segid "SH2 " and resid 13   and name HA2 ))
   (  segid "SH2 " and resid 11   and name HD% )
      3.700     2.100     2.100 peak  3236 weight  0.10000E+01 volume  0.74811E-03 ppm1      3.340 ppm2      7.030 CV     1
 ASSI { 3233}
   (( segid "SH2 " and resid 13   and name HA2 ))
   (( segid "SH2 " and resid 13   and name HN  ))
      3.000     1.400     1.400 peak  3233 weight  0.10000E+01 volume  0.28813E-02 ppm1      3.320 ppm2      5.280 CV     1
 ASSI { 2339}
   (  segid "SH2 " and resid 23   and name HD2%)
   (  segid "SH2 " and resid 23   and name HD1%)
      2.100     0.800     0.800 peak  2339 weight  0.10000E+01 volume  0.16227E-01 ppm1      0.670 ppm2      0.000 CV     1
 ASSI { 3009}
   (  segid "SH2 " and resid 23   and name HD2%)
   (( segid "SH2 " and resid 12   and name HH2 ))
      2.800     1.300     1.300 peak  3009 weight  0.10000E+01 volume  0.38671E-02 ppm1      0.670 ppm2      7.100 CV     1
 ASSI { 2327}
   (  segid "SH2 " and resid 23   and name HD2%)
   (( segid "SH2 " and resid 23   and name HN  ))
      3.900     1.500     1.500 peak  2327 weight  0.10000E+01 volume  0.23405E-02 ppm1      0.670 ppm2      7.340 CV     1
 ASSI {   95}
   (  segid "SH2 " and resid 11   and name HE% )
   (( segid "SH2 " and resid 11   and name HB2 ))
      3.800     1.600     1.600 peak    95 weight  0.10000E+01 volume  0.18223E-02 ppm1      6.960 ppm2      2.460 CV     1
 ASSI {   92}
   (  segid "SH2 " and resid 11   and name HE% )
   (( segid "SH2 " and resid 13   and name HA1 ))
      3.800     2.100     2.100 peak    92 weight  0.10000E+01 volume  0.76328E-03 ppm1      6.960 ppm2      3.600 CV     1
 ASSI {   93}
   (  segid "SH2 " and resid 11   and name HE% )
   (( segid "SH2 " and resid 13   and name HA2 ))
      3.200     1.900     1.900 peak    93 weight  0.10000E+01 volume  0.10211E-02 ppm1      6.950 ppm2      3.330 CV     1
 ASSI { 2325}
   (  segid "SH2 " and resid 24   and name HD1%)
   (( segid "SH2 " and resid 115  and name HN  ))
      4.200     1.600     1.600 peak  2325 weight  0.10000E+01 volume  0.16024E-02 ppm1      0.530 ppm2      8.240 CV     1
 ASSI {   90}
   (  segid "SH2 " and resid 11   and name HE% )
   (( segid "SH2 " and resid 11   and name HA  ))
      4.500     1.800     1.500 peak    90 weight  0.10000E+01 volume  0.10969E-02 ppm1      6.960 ppm2      5.670 CV     1
 ASSI { 2330}
   (  segid "SH2 " and resid 24   and name HD1%)
   (( segid "SH2 " and resid 32   and name HA  ))
      3.100     1.400     1.400 peak  2330 weight  0.10000E+01 volume  0.25047E-02 ppm1      0.530 ppm2      5.980 CV     1
 ASSI { 2338}
   (  segid "SH2 " and resid 24   and name HD1%)
   (( segid "SH2 " and resid 115  and name HB  ))
      3.100     3.100     2.900 peak  2338 weight  0.10000E+01 volume  0.72032E-02 ppm1      0.530 ppm2      1.660 CV     1
 ASSI { 3269}
   (  segid "SH2 " and resid 24   and name HD2%)
   (( segid "SH2 " and resid 27   and name HG1 ))
      3.700     1.300     1.300 peak  3269 weight  0.10000E+01 volume  0.35385E-02 ppm1      0.530 ppm2      2.340 CV     1
 OR { 3269}
   (  segid "SH2 " and resid 24   and name HD2%)
   (( segid "SH2 " and resid 27   and name HG2 ))
 ASSI { 2335}
   (  segid "SH2 " and resid 24   and name HD1%)
   (( segid "SH2 " and resid 115  and name HA  ))
      4.200     4.200     1.800 peak  2335 weight  0.10000E+01 volume  0.20372E-02 ppm1      0.530 ppm2      3.930 CV     1
 ASSI { 3266}
   (  segid "SH2 " and resid 24   and name HD1%)
   (  segid "SH2 " and resid 31   and name HG1%)
      3.300     1.100     1.100 peak  3266 weight  0.10000E+01 volume  0.53330E-02 ppm1      0.530 ppm2      1.060 CV     1
 ASSI { 2324}
   (  segid "SH2 " and resid 24   and name HD1%)
   (( segid "SH2 " and resid 49   and name HN  ))
      4.200     1.600     1.600 peak  2324 weight  0.10000E+01 volume  0.16959E-02 ppm1      0.540 ppm2      8.630 CV     1
 ASSI { 1402}
   (( segid "SH2 " and resid 13   and name HA1 ))
   (( segid "SH2 " and resid 13   and name HN  ))
      2.700     1.400     1.400 peak  1402 weight  0.10000E+01 volume  0.25275E-02 ppm1      3.600 ppm2      5.280 CV     1
 ASSI {   98}
   (  segid "SH2 " and resid 11   and name HE% )
   (( segid "SH2 " and resid 12   and name HN  ))
      4.200     2.000     1.800 peak    98 weight  0.10000E+01 volume  0.90486E-03 ppm1      6.950 ppm2     -0.670 CV     1
 ASSI { 3264}
   (  segid "SH2 " and resid 24   and name HD1%)
   (( segid "SH2 " and resid 33   and name HN  ))
      3.500     1.600     1.600 peak  3264 weight  0.10000E+01 volume  0.15620E-02 ppm1      0.540 ppm2     -0.670 CV     1
 ASSI { 3213}
   (( segid "SH2 " and resid 108  and name HB  ))
   (  segid "SH2 " and resid 109  and name HG2%)
      3.500     1.800     1.800 peak  3213 weight  0.10000E+01 volume  0.10843E-02 ppm1      4.140 ppm2      1.250 CV     1
 ASSI {  609}
   (  segid "SH2 " and resid 45   and name HG1%)
   (( segid "SH2 " and resid 56   and name HB1 ))
      3.700     1.500     1.500 peak   609 weight  0.10000E+01 volume  0.22874E-02 ppm1      1.190 ppm2      3.040 CV     1
 ASSI {  604}
   (  segid "SH2 " and resid 34   and name HG1%)
   (  segid "SH2 " and resid 11   and name HD% )
      2.500     1.100     1.100 peak   604 weight  0.10000E+01 volume  0.60660E-02 ppm1      1.180 ppm2      7.080 CV     1
 ASSI { 3020}
   (  segid "SH2 " and resid 45   and name HG1%)
   (( segid "SH2 " and resid 45   and name HB  ))
      2.300     1.200     1.200 peak  3020 weight  0.10000E+01 volume  0.48275E-02 ppm1      1.180 ppm2      1.960 CV     1
 ASSI { 2350}
   (  segid "SH2 " and resid 45   and name HG1%)
   (( segid "SH2 " and resid 56   and name HA  ))
      3.000     1.400     1.400 peak  2350 weight  0.10000E+01 volume  0.28055E-02 ppm1      1.180 ppm2      4.920 CV     1
 ASSI { 2351}
   (  segid "SH2 " and resid 45   and name HG1%)
   (( segid "SH2 " and resid 45   and name HA  ))
      2.400     1.200     1.200 peak  2351 weight  0.10000E+01 volume  0.46001E-02 ppm1      1.180 ppm2      4.760 CV     1
 ASSI { 2779}
   (  segid "SH2 " and resid 105  and name HE% )
   (( segid "SH2 " and resid 104  and name HA  ))
      4.100     2.100     1.900 peak  2779 weight  0.10000E+01 volume  0.75321E-03 ppm1      6.780 ppm2      4.370 CV     1
 ASSI { 2777}
   (  segid "SH2 " and resid 105  and name HE% )
   (( segid "SH2 " and resid 105  and name HN  ))
      4.500     1.900     1.500 peak  2777 weight  0.10000E+01 volume  0.93265E-03 ppm1      6.770 ppm2      8.110 CV     1
 ASSI { 2345}
   (  segid "SH2 " and resid 111  and name HD1%)
   (  segid "SH2 " and resid 32   and name HE% )
      4.200     1.600     1.600 peak  2345 weight  0.10000E+01 volume  0.18274E-02 ppm1      0.280 ppm2      7.610 CV     1
 ASSI { 2354}
   (  segid "SH2 " and resid 111  and name HD1%)
   (( segid "SH2 " and resid 32   and name HB2 ))
      3.700     1.300     1.300 peak  2354 weight  0.10000E+01 volume  0.34121E-02 ppm1      0.270 ppm2      2.660 CV     1
 ASSI { 2659}
   (( segid "SH2 " and resid 110  and name HB  ))
   (( segid "SH2 " and resid 111  and name HN  ))
      2.400     1.200     1.200 peak  2659 weight  0.10000E+01 volume  0.44231E-02 ppm1      4.130 ppm2      8.940 CV     1
 ASSI { 3023}
   (  segid "SH2 " and resid 111  and name HD1%)
   (( segid "SH2 " and resid 106  and name HB2 ))
      2.400     2.400     3.600 peak  3023 weight  0.10000E+01 volume  0.61418E-02 ppm1      0.280 ppm2      1.270 CV     1
 ASSI { 2353}
   (  segid "SH2 " and resid 111  and name HD1%)
   (( segid "SH2 " and resid 32   and name HB1 ))
      3.400     1.400     1.400 peak  2353 weight  0.10000E+01 volume  0.26286E-02 ppm1      0.280 ppm2      3.260 CV     1
 ASSI { 2342}
   (  segid "SH2 " and resid 115  and name HG1%)
   (( segid "SH2 " and resid 115  and name HN  ))
      2.100     1.000     1.000 peak  2342 weight  0.10000E+01 volume  0.77596E-02 ppm1      0.930 ppm2      8.260 CV     1
 ASSI { 2343}
   (  segid "SH2 " and resid 111  and name HD1%)
   (  segid "SH2 " and resid 32   and name HD% )
      4.100     1.600     1.600 peak  2343 weight  0.10000E+01 volume  0.17111E-02 ppm1      0.270 ppm2      6.720 CV     1
 ASSI { 2347}
   (  segid "SH2 " and resid 115  and name HG1%)
   (( segid "SH2 " and resid 12   and name HZ2 ))
      4.300     1.800     1.700 peak  2347 weight  0.10000E+01 volume  0.11576E-02 ppm1      0.940 ppm2      7.150 CV     1
 ASSI {  608}
   (  segid "SH2 " and resid 45   and name HG1%)
   (( segid "SH2 " and resid 46   and name HN  ))
      2.500     1.300     1.300 peak   608 weight  0.10000E+01 volume  0.35385E-02 ppm1      1.180 ppm2     -0.830 CV     1
 ASSI { 1788}
   (  segid "SH2 " and resid 115  and name HG1%)
   (( segid "SH2 " and resid 115  and name HA  ))
      2.200     0.900     0.900 peak  1788 weight  0.10000E+01 volume  0.10211E-01 ppm1      0.930 ppm2      3.900 CV     1
 ASSI { 1777}
   (  segid "SH2 " and resid 111  and name HD1%)
   (( segid "SH2 " and resid 113  and name HN  ))
      4.800     2.000     1.200 peak  1777 weight  0.10000E+01 volume  0.84672E-03 ppm1      0.270 ppm2      7.190 CV     1
 ASSI { 3032}
   (  segid "SH2 " and resid 115  and name HG1%)
   (( segid "SH2 " and resid 24   and name HA  ))
      3.100     1.600     1.600 peak  3032 weight  0.10000E+01 volume  0.19108E-02 ppm1      0.930 ppm2      4.170 CV     1
 ASSI {  967}
   (  segid "SH2 " and resid 44   and name HE% )
   (( segid "SH2 " and resid 44   and name HB1 ))
      4.400     2.000     1.600 peak   967 weight  0.10000E+01 volume  0.79872E-03 ppm1      6.810 ppm2      3.190 CV     1
 ASSI { 2704}
   (  segid "SH2 " and resid 57   and name HE% )
   (( segid "SH2 " and resid 107  and name HB1 ))
      3.700     2.200     2.200 peak  2704 weight  0.10000E+01 volume  0.59901E-03 ppm1      6.370 ppm2      2.920 CV     1
 ASSI { 2708}
   (  segid "SH2 " and resid 57   and name HE% )
   (( segid "SH2 " and resid 48   and name HB  ))
      3.800     1.900     1.900 peak  2708 weight  0.10000E+01 volume  0.92506E-03 ppm1      6.380 ppm2      1.830 CV     1
 ASSI { 2709}
   (  segid "SH2 " and resid 57   and name HE% )
   (( segid "SH2 " and resid 106  and name HB1 ))
      3.400     2.100     2.100 peak  2709 weight  0.10000E+01 volume  0.75066E-03 ppm1      6.370 ppm2      1.670 CV     1
 ASSI {  592}
   (  segid "SH2 " and resid 105  and name HE% )
   (( segid "SH2 " and resid 105  and name HB1 ))
      4.700     2.000     1.300 peak   592 weight  0.10000E+01 volume  0.82397E-03 ppm1      6.760 ppm2      2.740 CV     1
 ASSI { 1587}
   (  segid "SH2 " and resid 98   and name HD2%)
   (( segid "SH2 " and resid 10   and name HB1 ))
      4.000     1.900     1.900 peak  1587 weight  0.10000E+01 volume  0.97307E-03 ppm1     -0.010 ppm2      3.790 CV     1
 ASSI { 2359}
   (  segid "SH2 " and resid 98   and name HD2%)
   (  segid "SH2 " and resid 32   and name HE% )
      3.300     2.100     2.100 peak  2359 weight  0.10000E+01 volume  0.66977E-03 ppm1      0.000 ppm2      7.620 CV     1
 ASSI {  495}
   (  segid "SH2 " and resid 34   and name HG2%)
   (( segid "SH2 " and resid 46   and name HA  ))
      3.500     1.800     1.800 peak   495 weight  0.10000E+01 volume  0.10767E-02 ppm1      1.350 ppm2      5.150 CV     1
 ASSI { 1784}
   (  segid "SH2 " and resid 98   and name HD2%)
   (( segid "SH2 " and resid 98   and name HB2 ))
      3.000     1.100     1.100 peak  1784 weight  0.10000E+01 volume  0.54089E-02 ppm1      0.000 ppm2      0.690 CV     1
 ASSI { 1782}
   (  segid "SH2 " and resid 98   and name HD2%)
   (( segid "SH2 " and resid 98   and name HG  ))
      1.800     0.900     0.900 peak  1782 weight  0.10000E+01 volume  0.12966E-01 ppm1     -0.010 ppm2      1.210 CV     1
 ASSI {  931}
   (  segid "SH2 " and resid 98   and name HD2%)
   (( segid "SH2 " and resid 98   and name HA  ))
      2.200     1.000     1.000 peak   931 weight  0.10000E+01 volume  0.75066E-02 ppm1     -0.010 ppm2      3.360 CV     1
 ASSI { 1783}
   (  segid "SH2 " and resid 98   and name HD2%)
   (( segid "SH2 " and resid 98   and name HB1 ))
      2.300     1.300     1.300 peak  1783 weight  0.10000E+01 volume  0.31341E-02 ppm1      0.000 ppm2      1.440 CV     1
 ASSI { 1151}
   (  segid "SH2 " and resid 98   and name HD2%)
   (  segid "SH2 " and resid 32   and name HD% )
      2.600     1.600     1.600 peak  1151 weight  0.10000E+01 volume  0.19083E-02 ppm1      0.000 ppm2      6.730 CV     1
 ASSI { 1150}
   (  segid "SH2 " and resid 98   and name HD2%)
   (( segid "SH2 " and resid 98   and name HN  ))
      3.500     1.500     1.500 peak  1150 weight  0.10000E+01 volume  0.23658E-02 ppm1      0.000 ppm2      7.840 CV     1
 ASSI { 1786}
   (  segid "SH2 " and resid 98   and name HD2%)
   (  segid "SH2 " and resid 46   and name HD2%)
      2.400     1.200     1.200 peak  1786 weight  0.10000E+01 volume  0.39682E-02 ppm1     -0.010 ppm2      0.380 CV     1
 ASSI {  591}
   (  segid "SH2 " and resid 105  and name HE% )
   (( segid "SH2 " and resid 105  and name HB2 ))
      4.500     1.900     1.500 peak   591 weight  0.10000E+01 volume  0.10009E-02 ppm1      6.770 ppm2      2.500 CV     1
 ASSI { 2703}
   (  segid "SH2 " and resid 57   and name HE% )
   (( segid "PEP " and resid 224  and name HD2 ))
      4.100     1.600     1.600 peak  2703 weight  0.10000E+01 volume  0.18653E-02 ppm1      6.370 ppm2      3.650 CV     1
 ASSI { 2701}
   (  segid "SH2 " and resid 57   and name HE% )
   (( segid "PEP " and resid 224  and name HA  ))
      2.800     1.400     1.400 peak  2701 weight  0.10000E+01 volume  0.26033E-02 ppm1      6.380 ppm2      4.410 CV     1
 ASSI {  586}
   (  segid "SH2 " and resid 105  and name HE% )
   (( segid "SH2 " and resid 109  and name HA  ))
      3.100     1.600     1.600 peak   586 weight  0.10000E+01 volume  0.18729E-02 ppm1      6.770 ppm2      5.150 CV     1
 ASSI { 3245}
   (  segid "SH2 " and resid 54   and name HG1%)
   (( segid "SH2 " and resid 24   and name HN  ))
      3.700     1.500     1.500 peak  3245 weight  0.10000E+01 volume  0.21307E-02 ppm1      0.940 ppm2      7.390 CV     1
 ASSI { 2710}
   (  segid "SH2 " and resid 57   and name HE% )
   (  segid "PEP " and resid 222  and name HB% )
      3.300     1.800     1.800 peak  2710 weight  0.10000E+01 volume  0.12233E-02 ppm1      6.370 ppm2      1.320 CV     1
 ASSI { 2714}
   (  segid "SH2 " and resid 57   and name HE% )
   (( segid "SH2 " and resid 107  and name HN  ))
      4.000     2.100     2.000 peak  2714 weight  0.10000E+01 volume  0.74811E-03 ppm1      6.370 ppm2      8.470 CV     1
 ASSI { 2711}
   (  segid "SH2 " and resid 57   and name HE% )
   (  segid "SH2 " and resid 48   and name HG2%)
      2.600     1.200     1.200 peak  2711 weight  0.10000E+01 volume  0.47012E-02 ppm1      6.380 ppm2      0.900 CV     1
 ASSI {  595}
   (  segid "SH2 " and resid 105  and name HE% )
   (  segid "SH2 " and resid 110  and name HG2%)
      3.000     1.400     1.400 peak   595 weight  0.10000E+01 volume  0.24289E-02 ppm1      6.770 ppm2      0.120 CV     1
 ASSI { 1781}
   (  segid "SH2 " and resid 94   and name HD1%)
   (( segid "SH2 " and resid 94   and name HB1 ))
      2.400     1.000     1.000 peak  1781 weight  0.10000E+01 volume  0.69507E-02 ppm1      0.370 ppm2      1.920 CV     1
 ASSI {  491}
   (  segid "SH2 " and resid 34   and name HG2%)
   (( segid "SH2 " and resid 10   and name HZ3 ))
      3.600     1.400     1.400 peak   491 weight  0.10000E+01 volume  0.24011E-02 ppm1      1.340 ppm2      6.760 CV     1
 ASSI { 1590}
   (  segid "SH2 " and resid 94   and name HD2%)
   (( segid "SH2 " and resid 33   and name HA  ))
      3.300     3.300     2.700 peak  1590 weight  0.10000E+01 volume  0.47517E-02 ppm1      0.370 ppm2      4.770 CV     1
 ASSI {  935}
   (  segid "SH2 " and resid 98   and name HD2%)
   (( segid "SH2 " and resid 10   and name HE3 ))
      3.700     2.100     2.100 peak   935 weight  0.10000E+01 volume  0.66728E-03 ppm1     -0.010 ppm2      7.470 CV     1
 ASSI { 1779}
   (  segid "SH2 " and resid 94   and name HD2%)
   (( segid "SH2 " and resid 44   and name HN  ))
      2.500     2.500     3.500 peak  1779 weight  0.10000E+01 volume  0.19386E-02 ppm1      0.370 ppm2      8.770 CV     1
 ASSI { 1014}
   (  segid "SH2 " and resid 34   and name HG2%)
   (( segid "SH2 " and resid 11   and name HB2 ))
      4.300     1.800     1.700 peak  1014 weight  0.10000E+01 volume  0.11424E-02 ppm1      1.330 ppm2      2.470 CV     1
 ASSI { 1780}
   (  segid "SH2 " and resid 54   and name HG1%)
   (( segid "SH2 " and resid 54   and name HN  ))
      2.400     1.300     1.300 peak  1780 weight  0.10000E+01 volume  0.32857E-02 ppm1      0.940 ppm2      7.920 CV     1
 ASSI { 1288}
   (  segid "SH2 " and resid 106  and name HD2%)
   (  segid "SH2 " and resid 57   and name HE% )
      3.300     1.900     1.900 peak  1288 weight  0.10000E+01 volume  0.10565E-02 ppm1     -0.660 ppm2      6.370 CV     1
 ASSI { 2705}
   (  segid "SH2 " and resid 57   and name HE% )
   (( segid "SH2 " and resid 107  and name HB2 ))
      3.800     2.200     2.200 peak  2705 weight  0.10000E+01 volume  0.63694E-03 ppm1      6.370 ppm2      2.820 CV     1
 ASSI {  493}
   (  segid "SH2 " and resid 34   and name HG2%)
   (( segid "SH2 " and resid 11   and name HA  ))
      3.900     1.600     1.600 peak   493 weight  0.10000E+01 volume  0.15948E-02 ppm1      1.340 ppm2      5.670 CV     1
 ASSI {  492}
   (  segid "SH2 " and resid 34   and name HG2%)
   (( segid "SH2 " and resid 34   and name HA  ))
      2.400     1.200     1.200 peak   492 weight  0.10000E+01 volume  0.46253E-02 ppm1      1.340 ppm2      5.810 CV     1
 ASSI {  882}
   (  segid "SH2 " and resid 106  and name HD2%)
   (( segid "SH2 " and resid 106  and name HN  ))
      4.900     1.900     1.100 peak   882 weight  0.10000E+01 volume  0.10084E-02 ppm1     -0.670 ppm2      7.880 CV     1
 ASSI { 2360}
   (  segid "SH2 " and resid 34   and name HG2%)
   (  segid "SH2 " and resid 44   and name HD% )
      2.100     1.100     1.100 peak  2360 weight  0.10000E+01 volume  0.61922E-02 ppm1      1.340 ppm2      7.040 CV     1
 ASSI {  881}
   (  segid "SH2 " and resid 106  and name HD2%)
   (( segid "SH2 " and resid 107  and name HN  ))
      4.700     1.900     1.300 peak   881 weight  0.10000E+01 volume  0.90989E-03 ppm1     -0.670 ppm2      8.460 CV     1
 ASSI { 3031}
   (  segid "SH2 " and resid 106  and name HD2%)
   (( segid "SH2 " and resid 101  and name HB1 ))
      3.400     1.900     1.900 peak  3031 weight  0.10000E+01 volume  0.10413E-02 ppm1     -0.660 ppm2      3.310 CV     1
 ASSI { 3250}
   (  segid "SH2 " and resid 54   and name HG1%)
   (( segid "SH2 " and resid 54   and name HB  ))
      2.100     0.900     0.900 peak  3250 weight  0.10000E+01 volume  0.98320E-02 ppm1      0.940 ppm2      1.920 CV     1
 ASSI {  497}
   (  segid "SH2 " and resid 34   and name HG2%)
   (( segid "SH2 " and resid 34   and name HB  ))
      2.100     1.100     1.100 peak   497 weight  0.10000E+01 volume  0.65969E-02 ppm1      1.340 ppm2      2.690 CV     1
 ASSI { 1791}
   (  segid "SH2 " and resid 54   and name HG1%)
   (( segid "SH2 " and resid 54   and name HA  ))
      2.800     1.100     1.100 peak  1791 weight  0.10000E+01 volume  0.57625E-02 ppm1      0.940 ppm2      4.780 CV     1
 ASSI {  494}
   (  segid "SH2 " and resid 34   and name HG2%)
   (( segid "SH2 " and resid 44   and name HA  ))
      3.700     1.700     1.700 peak   494 weight  0.10000E+01 volume  0.15064E-02 ppm1      1.340 ppm2      5.360 CV     1
 ASSI { 2356}
   (  segid "SH2 " and resid 34   and name HG2%)
   (( segid "SH2 " and resid 44   and name HB1 ))
      2.400     1.400     1.400 peak  2356 weight  0.10000E+01 volume  0.26286E-02 ppm1      1.340 ppm2      3.170 CV     1
 ASSI { 2553}
   (( segid "SH2 " and resid 30   and name HA1 ))
   (( segid "SH2 " and resid 30   and name HN  ))
      2.500     1.200     1.200 peak  2553 weight  0.10000E+01 volume  0.48781E-02 ppm1      4.800 ppm2     -0.590 CV     1
 ASSI { 2644}
   (  segid "SH2 " and resid 106  and name HD2%)
   (( segid "PEP " and resid 224  and name HG1 ))
      2.800     1.400     1.400 peak  2644 weight  0.10000E+01 volume  0.25275E-02 ppm1     -0.660 ppm2      2.050 CV     1
 OR { 2644}
   (  segid "SH2 " and resid 106  and name HD2%)
   (( segid "PEP " and resid 224  and name HG2 ))
 ASSI {  898}
   (  segid "SH2 " and resid 106  and name HD2%)
   (  segid "SH2 " and resid 101  and name HD% )
      2.800     1.500     1.500 peak   898 weight  0.10000E+01 volume  0.19361E-02 ppm1     -0.660 ppm2      7.030 CV     1
 ASSI {  894}
   (  segid "SH2 " and resid 106  and name HD2%)
   (( segid "SH2 " and resid 106  and name HB2 ))
      2.600     1.100     1.100 peak   894 weight  0.10000E+01 volume  0.63439E-02 ppm1     -0.660 ppm2      1.250 CV     1
 ASSI {  888}
   (  segid "SH2 " and resid 106  and name HD2%)
   (( segid "SH2 " and resid 106  and name HA  ))
      3.400     1.100     1.100 peak   888 weight  0.10000E+01 volume  0.52067E-02 ppm1     -0.660 ppm2      4.100 CV     1
 ASSI { 2645}
   (  segid "SH2 " and resid 106  and name HD2%)
   (( segid "PEP " and resid 224  and name HB1 ))
      3.000     1.400     1.400 peak  2645 weight  0.10000E+01 volume  0.28561E-02 ppm1     -0.660 ppm2      2.300 CV     1
 OR { 2645}
   (  segid "SH2 " and resid 106  and name HD2%)
   (( segid "PEP " and resid 224  and name HB2 ))
 ASSI {  893}
   (  segid "SH2 " and resid 106  and name HD2%)
   (( segid "SH2 " and resid 106  and name HB1 ))
      2.500     1.500     1.500 peak   893 weight  0.10000E+01 volume  0.22217E-02 ppm1     -0.660 ppm2      1.670 CV     1
 ASSI {  489}
   (  segid "SH2 " and resid 34   and name HG2%)
   (( segid "SH2 " and resid 10   and name HE3 ))
      4.200     1.500     1.500 peak   489 weight  0.10000E+01 volume  0.19158E-02 ppm1      1.340 ppm2      7.470 CV     1
 ASSI {  355}
   (( segid "SH2 " and resid 30   and name HA2 ))
   (( segid "SH2 " and resid 30   and name HN  ))
      2.600     1.600     1.600 peak   355 weight  0.10000E+01 volume  0.17970E-02 ppm1      3.580 ppm2     -0.590 CV     1
 ASSI { 1787}
   (  segid "SH2 " and resid 54   and name HG1%)
   (( segid "SH2 " and resid 21   and name HA  ))
      2.300     1.100     1.100 peak  1787 weight  0.10000E+01 volume  0.59901E-02 ppm1      0.940 ppm2      3.490 CV     1
 ASSI { 2688}
   (( segid "SH2 " and resid 30   and name HA2 ))
   (( segid "SH2 " and resid 112  and name HN  ))
      2.900     2.000     2.000 peak  2688 weight  0.10000E+01 volume  0.79617E-03 ppm1      3.600 ppm2     -0.910 CV     1
 ASSI {  499}
   (  segid "SH2 " and resid 34   and name HG2%)
   (( segid "SH2 " and resid 35   and name HN  ))
      2.300     1.300     1.300 peak   499 weight  0.10000E+01 volume  0.35385E-02 ppm1      1.340 ppm2     -0.410 CV     1
 ASSI {  498}
   (  segid "SH2 " and resid 34   and name HG2%)
   (( segid "SH2 " and resid 34   and name HN  ))
      3.700     1.500     1.500 peak   498 weight  0.10000E+01 volume  0.20422E-02 ppm1      1.340 ppm2     -0.660 CV     1
 ASSI { 2552}
   (( segid "SH2 " and resid 30   and name HA1 ))
   (( segid "SH2 " and resid 112  and name HB  ))
      2.500     1.500     1.500 peak  2552 weight  0.10000E+01 volume  0.21509E-02 ppm1      4.790 ppm2      1.590 CV     1
 ASSI {  500}
   (  segid "SH2 " and resid 34   and name HG2%)
   (( segid "SH2 " and resid 45   and name HN  ))
      2.900     1.700     1.700 peak   500 weight  0.10000E+01 volume  0.14381E-02 ppm1      1.340 ppm2     -0.220 CV     1
 ASSI { 3360}
   (( segid "SH2 " and resid 30   and name HA2 ))
   (  segid "SH2 " and resid 111  and name HD1%)
      4.200     2.200     1.800 peak  3360 weight  0.10000E+01 volume  0.64452E-03 ppm1      3.580 ppm2      0.270 CV     1
 ASSI {  359}
   (( segid "SH2 " and resid 30   and name HA2 ))
   (( segid "SH2 " and resid 112  and name HB  ))
      3.800     1.800     1.800 peak   359 weight  0.10000E+01 volume  0.12713E-02 ppm1      3.570 ppm2      1.590 CV     1
 ASSI {  357}
   (( segid "SH2 " and resid 30   and name HA2 ))
   (  segid "SH2 " and resid 112  and name HG2%)
      4.500     1.500     1.500 peak   357 weight  0.10000E+01 volume  0.21938E-02 ppm1      3.580 ppm2      0.890 CV     1
 ASSI {  358}
   (( segid "SH2 " and resid 30   and name HA2 ))
   (( segid "SH2 " and resid 111  and name HB2 ))
      3.700     3.700     2.300 peak   358 weight  0.10000E+01 volume  0.21180E-02 ppm1      3.580 ppm2      1.230 CV     1
 ASSI { 3223}
   (  segid "SH2 " and resid 39   and name HG2%)
   (( segid "SH2 " and resid 39   and name HN  ))
      3.000     1.600     1.600 peak  3223 weight  0.10000E+01 volume  0.17010E-02 ppm1      1.270 ppm2      7.470 CV     1
 ASSI { 1636}
   (  segid "SH2 " and resid 39   and name HG2%)
   (( segid "SH2 " and resid 38   and name HB2 ))
      3.500     1.700     1.700 peak  1636 weight  0.10000E+01 volume  0.14837E-02 ppm1      1.270 ppm2      4.000 CV     1
 ASSI { 1635}
   (  segid "SH2 " and resid 39   and name HG2%)
   (( segid "SH2 " and resid 39   and name HA  ))
      2.600     1.000     1.000 peak  1635 weight  0.10000E+01 volume  0.89223E-02 ppm1      1.270 ppm2      4.370 CV     1
 ASSI { 2370}
   (  segid "SH2 " and resid 48   and name HG1%)
   (( segid "SH2 " and resid 48   and name HA  ))
      2.500     1.300     1.300 peak  2370 weight  0.10000E+01 volume  0.34374E-02 ppm1      0.880 ppm2      4.990 CV     1
 ASSI { 2367}
   (  segid "SH2 " and resid 48   and name HG1%)
   (  segid "SH2 " and resid 57   and name HD% )
      3.300     3.300     2.700 peak  2367 weight  0.10000E+01 volume  0.20271E-02 ppm1      0.880 ppm2      6.720 CV     1
 ASSI { 3222}
   (  segid "SH2 " and resid 48   and name HG1%)
   (( segid "SH2 " and resid 32   and name HB2 ))
      3.000     1.400     1.400 peak  3222 weight  0.10000E+01 volume  0.28813E-02 ppm1      0.880 ppm2      2.660 CV     1
 ASSI { 2366}
   (  segid "SH2 " and resid 48   and name HG1%)
   (  segid "SH2 " and resid 57   and name HE% )
      3.500     3.500     2.500 peak  2366 weight  0.10000E+01 volume  0.14053E-02 ppm1      0.880 ppm2      6.390 CV     1
 ASSI { 2369}
   (  segid "SH2 " and resid 48   and name HG1%)
   (( segid "SH2 " and resid 47   and name HA  ))
      3.900     1.900     1.900 peak  2369 weight  0.10000E+01 volume  0.99333E-03 ppm1      0.890 ppm2      5.770 CV     1
 ASSI { 2376}
   (( segid "SH2 " and resid 32   and name HB1 ))
   (( segid "SH2 " and resid 32   and name HB2 ))
      1.900     1.300     1.300 peak  2376 weight  0.10000E+01 volume  0.37660E-02 ppm1      3.240 ppm2      2.660 CV     1
 ASSI {  958}
   (( segid "SH2 " and resid 32   and name HB2 ))
   (  segid "SH2 " and resid 32   and name HD% )
      3.000     1.900     1.900 peak   958 weight  0.10000E+01 volume  0.10641E-02 ppm1      2.670 ppm2      6.760 CV     1
 ASSI {  431}
   (( segid "SH2 " and resid 32   and name HB2 ))
   (  segid "SH2 " and resid 32   and name HE% )
      4.000     1.800     1.800 peak   431 weight  0.10000E+01 volume  0.12713E-02 ppm1      2.660 ppm2      7.620 CV     1
 ASSI {  434}
   (( segid "SH2 " and resid 32   and name HB2 ))
   (( segid "SH2 " and resid 48   and name HA  ))
      3.600     1.900     1.900 peak   434 weight  0.10000E+01 volume  0.92761E-03 ppm1      2.660 ppm2      5.000 CV     1
 ASSI {  959}
   (( segid "SH2 " and resid 32   and name HB1 ))
   (  segid "SH2 " and resid 32   and name HD% )
      3.000     1.900     1.900 peak   959 weight  0.10000E+01 volume  0.94527E-03 ppm1      3.240 ppm2      6.730 CV     1
 ASSI { 2377}
   (( segid "SH2 " and resid 32   and name HB1 ))
   (( segid "SH2 " and resid 48   and name HB  ))
      4.500     2.300     1.500 peak  2377 weight  0.10000E+01 volume  0.55352E-03 ppm1      3.250 ppm2      1.810 CV     1
 ASSI { 2378}
   (( segid "SH2 " and resid 32   and name HB2 ))
   (( segid "SH2 " and resid 48   and name HB  ))
      4.300     1.900     1.700 peak  2378 weight  0.10000E+01 volume  0.10413E-02 ppm1      2.660 ppm2      1.830 CV     1
 ASSI {  429}
   (( segid "SH2 " and resid 32   and name HB2 ))
   (( segid "SH2 " and resid 32   and name HN  ))
      3.800     2.000     2.000 peak   429 weight  0.10000E+01 volume  0.79362E-03 ppm1      2.650 ppm2      7.900 CV     1
 ASSI {  430}
   (( segid "SH2 " and resid 32   and name HB1 ))
   (( segid "SH2 " and resid 32   and name HN  ))
      3.300     2.200     2.200 peak   430 weight  0.10000E+01 volume  0.59143E-03 ppm1      3.240 ppm2      7.860 CV     1
 ASSI { 2500}
   (  segid "SH2 " and resid 101  and name HE% )
   (  segid "SH2 " and resid 97   and name HD1%)
      3.200     1.900     1.900 peak  2500 weight  0.10000E+01 volume  0.97816E-03 ppm1      6.660 ppm2      0.700 CV     1
 ASSI { 3034}
   (  segid "SH2 " and resid 48   and name HG1%)
   (( segid "SH2 " and resid 32   and name HB1 ))
      2.400     1.300     1.300 peak  3034 weight  0.10000E+01 volume  0.33616E-02 ppm1      0.890 ppm2      3.250 CV     1
 ASSI { 2498}
   (  segid "SH2 " and resid 101  and name HE% )
   (  segid "SH2 " and resid 86   and name HG2%)
      2.400     1.100     1.100 peak  2498 weight  0.10000E+01 volume  0.56363E-02 ppm1      6.660 ppm2      1.280 CV     1
 ASSI { 2489}
   (  segid "SH2 " and resid 101  and name HE% )
   (  segid "SH2 " and resid 101  and name HD% )
      2.100     1.000     1.000 peak  2489 weight  0.10000E+01 volume  0.89982E-02 ppm1      6.660 ppm2      7.020 CV     1
 ASSI { 2501}
   (  segid "SH2 " and resid 101  and name HE% )
   (  segid "SH2 " and resid 97   and name HD2%)
      2.900     1.400     1.400 peak  2501 weight  0.10000E+01 volume  0.25780E-02 ppm1      6.660 ppm2      0.490 CV     1
 ASSI { 2495}
   (  segid "SH2 " and resid 101  and name HE% )
   (( segid "SH2 " and resid 57   and name HB1 ))
      4.200     2.000     1.800 peak  2495 weight  0.10000E+01 volume  0.81383E-03 ppm1      6.670 ppm2      2.990 CV     1
 ASSI { 2504}
   (  segid "SH2 " and resid 101  and name HE% )
   (  segid "SH2 " and resid 106  and name HD2%)
      2.900     1.700     1.700 peak  2504 weight  0.10000E+01 volume  0.13193E-02 ppm1      6.650 ppm2     -0.660 CV     1
 ASSI { 2491}
   (  segid "SH2 " and resid 101  and name HE% )
   (  segid "SH2 " and resid 100  and name HD% )
      3.200     2.000     2.000 peak  2491 weight  0.10000E+01 volume  0.87706E-03 ppm1      6.660 ppm2      5.710 CV     1
 ASSI { 2503}
   (  segid "SH2 " and resid 101  and name HE% )
   (( segid "SH2 " and resid 101  and name HA  ))
      4.200     2.100     1.800 peak  2503 weight  0.10000E+01 volume  0.69756E-03 ppm1      6.660 ppm2      4.920 CV     1
 ASSI { 2496}
   (  segid "SH2 " and resid 101  and name HE% )
   (( segid "SH2 " and resid 101  and name HB2 ))
      4.200     1.900     1.800 peak  2496 weight  0.10000E+01 volume  0.95286E-03 ppm1      6.660 ppm2      2.180 CV     1
 ASSI { 2385}
   (  segid "SH2 " and resid 21   and name HG1%)
   (( segid "SH2 " and resid 21   and name HB  ))
      2.000     0.900     0.900 peak  2385 weight  0.10000E+01 volume  0.12815E-01 ppm1      0.980 ppm2      2.190 CV     1
 ASSI { 2494}
   (  segid "SH2 " and resid 101  and name HE% )
   (( segid "SH2 " and resid 101  and name HB1 ))
      4.300     2.100     1.700 peak  2494 weight  0.10000E+01 volume  0.71783E-03 ppm1      6.660 ppm2      3.330 CV     1
 ASSI { 3221}
   (  segid "SH2 " and resid 45   and name HG2%)
   (  segid "SH2 " and resid 44   and name HD% )
      3.100     1.200     1.200 peak  3221 weight  0.10000E+01 volume  0.44231E-02 ppm1      0.890 ppm2      7.070 CV     1
 ASSI { 3220}
   (  segid "SH2 " and resid 45   and name HG2%)
   (( segid "SH2 " and resid 37   and name HA  ))
      2.400     1.300     1.300 peak  3220 weight  0.10000E+01 volume  0.38671E-02 ppm1      0.900 ppm2      4.460 CV     1
 ASSI {  760}
   (( segid "SH2 " and resid 91   and name HB2 ))
   (( segid "SH2 " and resid 92   and name HN  ))
      4.200     1.900     1.800 peak   760 weight  0.10000E+01 volume  0.92252E-03 ppm1      2.430 ppm2     -0.890 CV     1
 ASSI {  423}
   (( segid "SH2 " and resid 32   and name HB1 ))
   (  segid "SH2 " and resid 32   and name HE% )
      4.000     1.800     1.800 peak   423 weight  0.10000E+01 volume  0.11904E-02 ppm1      3.250 ppm2      7.610 CV     1
 ASSI {  614}
   (  segid "SH2 " and resid 45   and name HG2%)
   (( segid "SH2 " and resid 46   and name HN  ))
      4.200     1.900     1.800 peak   614 weight  0.10000E+01 volume  0.96299E-03 ppm1      0.880 ppm2     -0.830 CV     1
 ASSI {  422}
   (( segid "SH2 " and resid 91   and name HB1 ))
   (( segid "SH2 " and resid 91   and name HN  ))
      3.800     1.900     1.900 peak   422 weight  0.10000E+01 volume  0.10641E-02 ppm1      3.280 ppm2      9.000 CV     1
 ASSI {  616}
   (  segid "SH2 " and resid 45   and name HG2%)
   (( segid "SH2 " and resid 45   and name HN  ))
      2.800     1.500     1.500 peak   616 weight  0.10000E+01 volume  0.19538E-02 ppm1      0.890 ppm2     -0.220 CV     1
 ASSI {  752}
   (( segid "SH2 " and resid 91   and name HB1 ))
   (( segid "SH2 " and resid 91   and name HA  ))
      2.700     1.500     1.500 peak   752 weight  0.10000E+01 volume  0.22899E-02 ppm1      3.270 ppm2      4.760 CV     1
 ASSI {  754}
   (( segid "SH2 " and resid 91   and name HB2 ))
   (  segid "SH2 " and resid 96   and name HB% )
      4.100     1.500     1.500 peak   754 weight  0.10000E+01 volume  0.20068E-02 ppm1      2.430 ppm2      1.590 CV     1
 ASSI {  426}
   (( segid "SH2 " and resid 91   and name HB2 ))
   (  segid "SH2 " and resid 91   and name HD% )
      2.600     1.400     1.400 peak   426 weight  0.10000E+01 volume  0.26286E-02 ppm1      2.430 ppm2      6.980 CV     1
 ASSI {  425}
   (( segid "SH2 " and resid 91   and name HB1 ))
   (  segid "SH2 " and resid 91   and name HD% )
      2.700     1.400     1.400 peak   425 weight  0.10000E+01 volume  0.27297E-02 ppm1      3.280 ppm2      6.980 CV     1
 ASSI {  750}
   (( segid "SH2 " and resid 91   and name HB2 ))
   (( segid "SH2 " and resid 91   and name HN  ))
      2.800     1.700     1.700 peak   750 weight  0.10000E+01 volume  0.13522E-02 ppm1      2.430 ppm2      9.010 CV     1
 ASSI {  751}
   (( segid "SH2 " and resid 91   and name HB2 ))
   (( segid "SH2 " and resid 91   and name HA  ))
      3.200     1.700     1.700 peak   751 weight  0.10000E+01 volume  0.15266E-02 ppm1      2.440 ppm2      4.770 CV     1
 ASSI {  757}
   (( segid "SH2 " and resid 91   and name HB2 ))
   (  segid "SH2 " and resid 97   and name HD1%)
      3.600     1.700     1.700 peak   757 weight  0.10000E+01 volume  0.13421E-02 ppm1      2.430 ppm2      0.700 CV     1
 ASSI { 3319}
   (  segid "SH2 " and resid 31   and name HG2%)
   (( segid "SH2 " and resid 115  and name HB  ))
      3.100     1.100     1.100 peak  3319 weight  0.10000E+01 volume  0.59901E-02 ppm1      0.920 ppm2      1.650 CV     1
 ASSI { 3315}
   (  segid "SH2 " and resid 31   and name HG1%)
   (( segid "SH2 " and resid 49   and name HB2 ))
      2.000     1.000     1.000 peak  3315 weight  0.10000E+01 volume  0.73549E-02 ppm1      0.930 ppm2      3.910 CV     1
 ASSI { 3322}
   (  segid "SH2 " and resid 31   and name HG2%)
   (( segid "SH2 " and resid 32   and name HN  ))
      2.700     1.200     1.200 peak  3322 weight  0.10000E+01 volume  0.40187E-02 ppm1      0.930 ppm2      7.870 CV     1
 ASSI { 3316}
   (  segid "SH2 " and resid 31   and name HG1%)
   (( segid "SH2 " and resid 27   and name HG1 ))
      3.000     1.200     1.200 peak  3316 weight  0.10000E+01 volume  0.50550E-02 ppm1      0.930 ppm2      2.320 CV     1
 OR { 3316}
   (  segid "SH2 " and resid 31   and name HG1%)
   (( segid "SH2 " and resid 27   and name HG2 ))
 ASSI { 3314}
   (  segid "SH2 " and resid 31   and name HG2%)
   (( segid "SH2 " and resid 31   and name HA  ))
      2.400     1.200     1.200 peak  3314 weight  0.10000E+01 volume  0.42715E-02 ppm1      0.930 ppm2      5.300 CV     1
 ASSI { 3321}
   (  segid "SH2 " and resid 31   and name HG2%)
   (( segid "SH2 " and resid 115  and name HN  ))
      2.800     1.200     1.200 peak  3321 weight  0.10000E+01 volume  0.40187E-02 ppm1      0.930 ppm2      8.250 CV     1
 ASSI { 3327}
   (  segid "SH2 " and resid 115  and name HG1%)
   (( segid "SH2 " and resid 12   and name HD1 ))
      5.000     2.100     1.000 peak  3327 weight  0.10000E+01 volume  0.69507E-03 ppm1      0.830 ppm2      7.430 CV     1
 ASSI { 3317}
   (  segid "SH2 " and resid 31   and name HG1%)
   (( segid "SH2 " and resid 27   and name HB1 ))
      1.900     0.900     0.900 peak  3317 weight  0.10000E+01 volume  0.10944E-01 ppm1      0.910 ppm2      2.050 CV     1
 OR { 3317}
   (  segid "SH2 " and resid 31   and name HG1%)
   (( segid "SH2 " and resid 27   and name HB2 ))
 ASSI {  345}
   (( segid "SH2 " and resid 26   and name HA1 ))
   (( segid "SH2 " and resid 27   and name HN  ))
      3.300     1.700     1.700 peak   345 weight  0.10000E+01 volume  0.14988E-02 ppm1      4.170 ppm2      7.850 CV     1
 ASSI {  179}
   (( segid "SH2 " and resid 15   and name HB2 ))
   (  segid "SH2 " and resid 15   and name HD1%)
      2.400     1.300     1.300 peak   179 weight  0.10000E+01 volume  0.31088E-02 ppm1      1.530 ppm2      1.020 CV     1
 ASSI {  344}
   (( segid "SH2 " and resid 26   and name HA1 ))
   (( segid "SH2 " and resid 26   and name HN  ))
      3.000     1.300     1.300 peak   344 weight  0.10000E+01 volume  0.32099E-02 ppm1      4.180 ppm2      8.950 CV     1
 ASSI {  343}
   (( segid "SH2 " and resid 26   and name HA2 ))
   (( segid "SH2 " and resid 26   and name HN  ))
      2.500     1.300     1.300 peak   343 weight  0.10000E+01 volume  0.35638E-02 ppm1      3.720 ppm2      8.950 CV     1
 ASSI { 3333}
   (( segid "SH2 " and resid 15   and name HB2 ))
   (( segid "SH2 " and resid 20   and name HN  ))
      4.800     2.200     1.200 peak  3333 weight  0.10000E+01 volume  0.57625E-03 ppm1      1.530 ppm2      8.240 CV     1
 ASSI {  549}
   (( segid "SH2 " and resid 42   and name HA1 ))
   (( segid "SH2 " and resid 42   and name HN  ))
      3.100     1.400     1.400 peak   549 weight  0.10000E+01 volume  0.27297E-02 ppm1      4.260 ppm2      8.720 CV     1
 ASSI {  548}
   (( segid "SH2 " and resid 42   and name HA2 ))
   (( segid "SH2 " and resid 42   and name HN  ))
      2.600     1.400     1.400 peak   548 weight  0.10000E+01 volume  0.29824E-02 ppm1      3.490 ppm2      8.720 CV     1
 ASSI {  550}
   (( segid "SH2 " and resid 42   and name HA1 ))
   (( segid "SH2 " and resid 43   and name HN  ))
      3.600     1.700     1.700 peak   550 weight  0.10000E+01 volume  0.14811E-02 ppm1      4.270 ppm2      7.770 CV     1
 ASSI { 3279}
   (  segid "SH2 " and resid 45   and name HG2%)
   (( segid "SH2 " and resid 39   and name HN  ))
      4.800     2.100     1.200 peak  3279 weight  0.10000E+01 volume  0.67486E-03 ppm1      0.870 ppm2      7.420 CV     1
 ASSI { 3277}
   (  segid "SH2 " and resid 115  and name HG1%)
   (  segid "SH2 " and resid 33   and name HD1%)
      3.500     1.100     1.100 peak  3277 weight  0.10000E+01 volume  0.66218E-02 ppm1      0.810 ppm2     -0.090 CV     1
 ASSI { 3278}
   (  segid "SH2 " and resid 115  and name HG2%)
   (( segid "SH2 " and resid 11   and name HN  ))
      3.000     3.000     3.000 peak  3278 weight  0.10000E+01 volume  0.69252E-03 ppm1      0.810 ppm2      7.660 CV     1
 ASSI { 3365}
   (( segid "SH2 " and resid 63   and name HA1 ))
   (( segid "SH2 " and resid 64   and name HG1 ))
      4.200     1.800     1.800 peak  3365 weight  0.10000E+01 volume  0.12410E-02 ppm1      4.140 ppm2      1.980 CV     1
 OR { 3365}
   (( segid "SH2 " and resid 63   and name HA2 ))
   (( segid "SH2 " and resid 64   and name HG1 ))
 ASSI { 2680}
   (  segid "SH2 " and resid 110  and name HG2%)
   (( segid "SH2 " and resid 101  and name HA  ))
      3.800     2.100     2.100 peak  2680 weight  0.10000E+01 volume  0.69507E-03 ppm1      0.120 ppm2      4.920 CV     1
 ASSI { 1729}
   (  segid "SH2 " and resid 110  and name HG2%)
   (  segid "SH2 " and resid 103  and name HG2%)
      2.800     2.800     3.200 peak  1729 weight  0.10000E+01 volume  0.11930E-02 ppm1      0.130 ppm2      0.420 CV     1
 ASSI { 2682}
   (  segid "SH2 " and resid 110  and name HG2%)
   (( segid "SH2 " and resid 102  and name HG1 ))
      3.600     1.900     1.900 peak  2682 weight  0.10000E+01 volume  0.10565E-02 ppm1      0.130 ppm2      1.230 CV     1
 OR { 2682}
   (  segid "SH2 " and resid 110  and name HG2%)
   (( segid "SH2 " and resid 102  and name HG2 ))
 ASSI { 2678}
   (  segid "SH2 " and resid 110  and name HG2%)
   (( segid "SH2 " and resid 104  and name HA  ))
      3.300     1.800     1.800 peak  2678 weight  0.10000E+01 volume  0.12688E-02 ppm1      0.130 ppm2      4.370 CV     1
 ASSI {  918}
   (  segid "SH2 " and resid 110  and name HG2%)
   (( segid "SH2 " and resid 104  and name HN  ))
      3.400     1.900     1.900 peak   918 weight  0.10000E+01 volume  0.10160E-02 ppm1      0.130 ppm2      7.520 CV     1
 ASSI { 1743}
   (( segid "SH2 " and resid 33   and name HB1 ))
   (( segid "SH2 " and resid 33   and name HN  ))
      3.000     1.600     1.600 peak  1743 weight  0.10000E+01 volume  0.18703E-02 ppm1      1.820 ppm2     -0.660 CV     1
 OR { 1743}
   (( segid "SH2 " and resid 33   and name HB2 ))
   (( segid "SH2 " and resid 33   and name HN  ))
 ASSI {  919}
   (  segid "SH2 " and resid 110  and name HG2%)
   (( segid "SH2 " and resid 110  and name HN  ))
      3.200     1.300     1.300 peak   919 weight  0.10000E+01 volume  0.30835E-02 ppm1      0.130 ppm2      7.230 CV     1
 ASSI { 2679}
   (  segid "SH2 " and resid 110  and name HG2%)
   (( segid "SH2 " and resid 110  and name HA  ))
      2.300     1.000     1.000 peak  2679 weight  0.10000E+01 volume  0.75824E-02 ppm1      0.130 ppm2      4.690 CV     1
 ASSI { 2677}
   (  segid "SH2 " and resid 110  and name HG2%)
   (  segid "SH2 " and resid 105  and name HD% )
      3.000     1.400     1.400 peak  2677 weight  0.10000E+01 volume  0.26539E-02 ppm1      0.130 ppm2      6.830 CV     1
 ASSI {  924}
   (  segid "SH2 " and resid 110  and name HG2%)
   (( segid "SH2 " and resid 105  and name HA  ))
      2.600     1.200     1.200 peak   924 weight  0.10000E+01 volume  0.49792E-02 ppm1      0.130 ppm2      3.790 CV     1
 ASSI {  923}
   (  segid "SH2 " and resid 110  and name HG2%)
   (( segid "SH2 " and resid 110  and name HB  ))
      2.300     1.000     1.000 peak   923 weight  0.10000E+01 volume  0.81134E-02 ppm1      0.130 ppm2      4.120 CV     1
 ASSI {  921}
   (  segid "SH2 " and resid 110  and name HG2%)
   (( segid "SH2 " and resid 109  and name HA  ))
      4.000     1.900     1.900 peak   921 weight  0.10000E+01 volume  0.92252E-03 ppm1      0.130 ppm2      5.140 CV     1
 ASSI {  925}
   (  segid "SH2 " and resid 110  and name HG2%)
   (( segid "SH2 " and resid 105  and name HB1 ))
      2.800     2.800     3.200 peak   925 weight  0.10000E+01 volume  0.10211E-02 ppm1      0.130 ppm2      2.740 CV     1
 ASSI { 2675}
   (  segid "SH2 " and resid 110  and name HG2%)
   (( segid "SH2 " and resid 106  and name HN  ))
      3.400     1.700     1.700 peak  2675 weight  0.10000E+01 volume  0.13295E-02 ppm1      0.130 ppm2      7.880 CV     1
 ASSI {  915}
   (  segid "SH2 " and resid 110  and name HG2%)
   (( segid "SH2 " and resid 111  and name HN  ))
      3.100     1.500     1.500 peak   915 weight  0.10000E+01 volume  0.20321E-02 ppm1      0.130 ppm2      8.920 CV     1
 ASSI { 2674}
   (  segid "SH2 " and resid 110  and name HG2%)
   (( segid "SH2 " and resid 105  and name HN  ))
      3.600     1.900     1.900 peak  2674 weight  0.10000E+01 volume  0.10186E-02 ppm1      0.120 ppm2      8.120 CV     1
 ASSI { 2392}
   (  segid "SH2 " and resid 79   and name HG1%)
   (( segid "SH2 " and resid 77   and name HA  ))
      2.400     2.400     3.600 peak  2392 weight  0.10000E+01 volume  0.27550E-02 ppm1      0.900 ppm2      4.410 CV     1
 OR { 2392}
   (  segid "SH2 " and resid 79   and name HG2%)
   (( segid "SH2 " and resid 77   and name HA  ))
 ASSI {  926}
   (  segid "SH2 " and resid 110  and name HG2%)
   (( segid "SH2 " and resid 105  and name HB2 ))
      2.800     2.800     3.200 peak   926 weight  0.10000E+01 volume  0.10515E-02 ppm1      0.130 ppm2      2.520 CV     1
 ASSI {  679}
   (  segid "SH2 " and resid 48   and name HG1%)
   (( segid "SH2 " and resid 55   and name HB1 ))
      3.200     3.200     2.800 peak   679 weight  0.10000E+01 volume  0.32099E-02 ppm1      0.910 ppm2      3.630 CV     1
 ASSI {  680}
   (  segid "SH2 " and resid 48   and name HG1%)
   (( segid "SH2 " and resid 48   and name HB  ))
      2.200     1.000     1.000 peak   680 weight  0.10000E+01 volume  0.92003E-02 ppm1      0.910 ppm2      1.830 CV     1
 ASSI { 1751}
   (( segid "SH2 " and resid 46   and name HB2 ))
   (  segid "SH2 " and resid 46   and name HD2%)
      2.700     1.400     1.400 peak  1751 weight  0.10000E+01 volume  0.24163E-02 ppm1      1.230 ppm2      0.380 CV     1
 ASSI { 1750}
   (( segid "SH2 " and resid 46   and name HB2 ))
   (  segid "SH2 " and resid 46   and name HD1%)
      3.400     1.500     1.500 peak  1750 weight  0.10000E+01 volume  0.20271E-02 ppm1      1.230 ppm2      0.580 CV     1
 ASSI { 1739}
   (( segid "SH2 " and resid 46   and name HB2 ))
   (( segid "SH2 " and resid 57   and name HB1 ))
      4.100     1.900     1.900 peak  1739 weight  0.10000E+01 volume  0.94024E-03 ppm1      1.220 ppm2      2.940 CV     1
 ASSI { 2654}
   (( segid "SH2 " and resid 33   and name HB2 ))
   (( segid "SH2 " and resid 12   and name HD1 ))
      2.900     1.700     1.700 peak  2654 weight  0.10000E+01 volume  0.13396E-02 ppm1      1.830 ppm2      7.450 CV     1
 OR { 2654}
   (( segid "SH2 " and resid 33   and name HB1 ))
   (( segid "SH2 " and resid 12   and name HD1 ))
 ASSI { 3282}
   (  segid "SH2 " and resid 31   and name HG1%)
   (( segid "SH2 " and resid 112  and name HN  ))
      4.600     2.300     1.400 peak  3282 weight  0.10000E+01 volume  0.52572E-03 ppm1      0.970 ppm2     -0.880 CV     1
 ASSI { 1744}
   (( segid "SH2 " and resid 33   and name HB1 ))
   (  segid "SH2 " and resid 33   and name HD2%)
      2.900     1.800     1.800 peak  1744 weight  0.10000E+01 volume  0.12284E-02 ppm1      1.840 ppm2      0.610 CV     1
 OR { 1744}
   (( segid "SH2 " and resid 33   and name HB2 ))
   (  segid "SH2 " and resid 33   and name HD2%)
 ASSI { 1731}
   (( segid "SH2 " and resid 33   and name HB2 ))
   (( segid "SH2 " and resid 33   and name HA  ))
      2.600     1.500     1.500 peak  1731 weight  0.10000E+01 volume  0.20498E-02 ppm1      1.770 ppm2      4.770 CV     1
 OR { 1731}
   (( segid "SH2 " and resid 33   and name HB1 ))
   (( segid "SH2 " and resid 33   and name HA  ))
 ASSI { 1749}
   (( segid "SH2 " and resid 46   and name HB2 ))
   (  segid "SH2 " and resid 59   and name HD1%)
      2.100     1.100     1.100 peak  1749 weight  0.10000E+01 volume  0.51561E-02 ppm1      1.200 ppm2      0.710 CV     1
 ASSI { 3281}
   (  segid "SH2 " and resid 48   and name HG1%)
   (( segid "SH2 " and resid 30   and name HN  ))
      3.300     1.800     1.800 peak  3281 weight  0.10000E+01 volume  0.11374E-02 ppm1      0.910 ppm2     -0.590 CV     1
 ASSI { 1741}
   (( segid "SH2 " and resid 84   and name HB2 ))
   (( segid "SH2 " and resid 84   and name HG  ))
      2.400     1.200     1.200 peak  1741 weight  0.10000E+01 volume  0.43473E-02 ppm1      1.590 ppm2      1.200 CV     1
 OR { 1741}
   (( segid "SH2 " and resid 84   and name HB1 ))
   (( segid "SH2 " and resid 84   and name HG  ))
 ASSI { 1736}
   (( segid "SH2 " and resid 84   and name HB1 ))
   (( segid "SH2 " and resid 85   and name HN  ))
      3.400     1.900     1.900 peak  1736 weight  0.10000E+01 volume  0.93265E-03 ppm1      1.580 ppm2      8.990 CV     1
 OR { 1736}
   (( segid "SH2 " and resid 84   and name HB2 ))
   (( segid "SH2 " and resid 85   and name HN  ))
 ASSI {  670}
   (  segid "SH2 " and resid 48   and name HG1%)
   (( segid "SH2 " and resid 48   and name HN  ))
      3.100     1.300     1.300 peak   670 weight  0.10000E+01 volume  0.33110E-02 ppm1      0.910 ppm2      8.780 CV     1
 ASSI { 2636}
   (  segid "SH2 " and resid 48   and name HG2%)
   (  segid "SH2 " and resid 54   and name HG2%)
      2.900     2.900     3.100 peak  2636 weight  0.10000E+01 volume  0.60914E-02 ppm1      0.910 ppm2      0.350 CV     1
 ASSI { 2399}
   (( segid "SH2 " and resid 84   and name HB1 ))
   (  segid "SH2 " and resid 84   and name HD1%)
      2.600     1.300     1.300 peak  2399 weight  0.10000E+01 volume  0.38165E-02 ppm1      1.590 ppm2      0.690 CV     1
 OR { 2399}
   (( segid "SH2 " and resid 84   and name HB2 ))
   (  segid "SH2 " and resid 84   and name HD1%)
 ASSI {  675}
   (  segid "SH2 " and resid 48   and name HG1%)
   (( segid "SH2 " and resid 55   and name HN  ))
      3.700     1.700     1.700 peak   675 weight  0.10000E+01 volume  0.13826E-02 ppm1      0.920 ppm2     -0.960 CV     1
 ASSI { 2424}
   (( segid "SH2 " and resid 28   and name HD2 ))
   (  segid "SH2 " and resid 31   and name HG1%)
      3.400     1.700     1.700 peak  2424 weight  0.10000E+01 volume  0.14861E-02 ppm1      3.150 ppm2      1.070 CV     1
 OR { 2424}
   (( segid "SH2 " and resid 28   and name HD1 ))
   (  segid "SH2 " and resid 31   and name HG1%)
 ASSI { 2428}
   (( segid "SH2 " and resid 35   and name HD2 ))
   (( segid "SH2 " and resid 35   and name HH21))
      4.300     2.000     1.700 peak  2428 weight  0.10000E+01 volume  0.83155E-03 ppm1      3.540 ppm2     -0.400 CV     1
 OR { 2428}
   (( segid "SH2 " and resid 35   and name HD1 ))
   (( segid "SH2 " and resid 35   and name HH21))
 ASSI { 2400}
   (( segid "SH2 " and resid 84   and name HB2 ))
   (( segid "SH2 " and resid 93   and name HN  ))
      2.900     2.900     3.100 peak  2400 weight  0.10000E+01 volume  0.31088E-02 ppm1      1.560 ppm2      7.340 CV     1
 OR { 2400}
   (( segid "SH2 " and resid 84   and name HB1 ))
   (( segid "SH2 " and resid 93   and name HN  ))
 ASSI { 2405}
   (( segid "SH2 " and resid 28   and name HD1 ))
   (( segid "SH2 " and resid 29   and name HN  ))
      2.900     2.000     2.000 peak  2405 weight  0.10000E+01 volume  0.87706E-03 ppm1      3.140 ppm2      8.170 CV     1
 OR { 2405}
   (( segid "SH2 " and resid 28   and name HD2 ))
   (( segid "SH2 " and resid 29   and name HN  ))
 ASSI { 2420}
   (  segid "SH2 " and resid 48   and name HG1%)
   (  segid "SH2 " and resid 111  and name HD2%)
      3.000     1.300     1.300 peak  2420 weight  0.10000E+01 volume  0.31594E-02 ppm1      0.940 ppm2     -0.010 CV     1
 ASSI { 2448}
   (( segid "SH2 " and resid 28   and name HD1 ))
   (( segid "SH2 " and resid 28   and name HA  ))
      4.000     1.700     1.700 peak  2448 weight  0.10000E+01 volume  0.15570E-02 ppm1      3.160 ppm2      3.940 CV     1
 OR { 2448}
   (( segid "SH2 " and resid 28   and name HD2 ))
   (( segid "SH2 " and resid 28   and name HA  ))
 ASSI { 2443}
   (( segid "SH2 " and resid 53   and name HD1 ))
   (( segid "SH2 " and resid 54   and name HN  ))
      4.300     2.100     1.700 peak  2443 weight  0.10000E+01 volume  0.71783E-03 ppm1      3.220 ppm2      7.920 CV     1
 OR { 2443}
   (( segid "SH2 " and resid 53   and name HD2 ))
   (( segid "SH2 " and resid 54   and name HN  ))
 ASSI { 2434}
   (( segid "SH2 " and resid 28   and name HD2 ))
   (( segid "SH2 " and resid 28   and name HB1 ))
      1.800     0.800     0.800 peak  2434 weight  0.10000E+01 volume  0.14407E-01 ppm1      3.150 ppm2      1.760 CV     1
 OR { 2434}
   (( segid "SH2 " and resid 28   and name HD1 ))
   (( segid "SH2 " and resid 28   and name HB1 ))
 ASSI { 2454}
   (( segid "SH2 " and resid 28   and name HD2 ))
   (( segid "SH2 " and resid 27   and name HA  ))
      5.100     2.000     0.900 peak  2454 weight  0.10000E+01 volume  0.87955E-03 ppm1      3.160 ppm2      4.240 CV     1
 OR { 2454}
   (( segid "SH2 " and resid 28   and name HD1 ))
   (( segid "SH2 " and resid 27   and name HA  ))
 ASSI { 2411}
   (( segid "SH2 " and resid 35   and name HD1 ))
   (( segid "SH2 " and resid 35   and name HE  ))
      3.000     1.900     1.900 peak  2411 weight  0.10000E+01 volume  0.97058E-03 ppm1      3.570 ppm2      6.430 CV     1
 OR { 2411}
   (( segid "SH2 " and resid 35   and name HD2 ))
   (( segid "SH2 " and resid 35   and name HE  ))
 ASSI { 2427}
   (( segid "SH2 " and resid 35   and name HD1 ))
   (  segid "SH2 " and resid 15   and name HD2%)
      3.100     2.000     2.000 peak  2427 weight  0.10000E+01 volume  0.80879E-03 ppm1      3.560 ppm2      0.500 CV     1
 OR { 2427}
   (( segid "SH2 " and resid 35   and name HD2 ))
   (  segid "SH2 " and resid 15   and name HD2%)
 ASSI { 2452}
   (( segid "SH2 " and resid 14   and name HD2 ))
   (( segid "SH2 " and resid 14   and name HG1 ))
      2.600     1.200     1.200 peak  2452 weight  0.10000E+01 volume  0.42209E-02 ppm1      3.220 ppm2      1.910 CV     1
 OR { 2452}
   (( segid "SH2 " and resid 14   and name HD1 ))
   (( segid "SH2 " and resid 14   and name HG2 ))
 OR { 2452}
   (( segid "SH2 " and resid 14   and name HD2 ))
   (( segid "SH2 " and resid 14   and name HG2 ))
 OR { 2452}
   (( segid "SH2 " and resid 14   and name HD1 ))
   (( segid "SH2 " and resid 14   and name HG1 ))
 ASSI { 2433}
   (( segid "SH2 " and resid 53   and name HD2 ))
   (( segid "SH2 " and resid 53   and name HG1 ))
      1.900     0.800     0.800 peak  2433 weight  0.10000E+01 volume  0.17541E-01 ppm1      3.220 ppm2      1.660 CV     1
 OR { 2433}
   (( segid "SH2 " and resid 53   and name HD1 ))
   (( segid "SH2 " and resid 53   and name HG2 ))
 OR { 2433}
   (( segid "SH2 " and resid 53   and name HD1 ))
   (( segid "SH2 " and resid 53   and name HG1 ))
 OR { 2433}
   (( segid "SH2 " and resid 53   and name HD2 ))
   (( segid "SH2 " and resid 53   and name HG2 ))
 ASSI { 2423}
   (( segid "SH2 " and resid 35   and name HD1 ))
   (( segid "SH2 " and resid 15   and name HB2 ))
      3.900     1.600     1.600 peak  2423 weight  0.10000E+01 volume  0.15948E-02 ppm1      3.550 ppm2      1.510 CV     1
 OR { 2423}
   (( segid "SH2 " and resid 35   and name HD2 ))
   (( segid "SH2 " and resid 15   and name HB2 ))
 ASSI { 2404}
   (( segid "SH2 " and resid 14   and name HD1 ))
   (( segid "SH2 " and resid 14   and name HN  ))
      4.300     2.000     1.700 peak  2404 weight  0.10000E+01 volume  0.81134E-03 ppm1      3.210 ppm2      8.520 CV     1
 OR { 2404}
   (( segid "SH2 " and resid 14   and name HD2 ))
   (( segid "SH2 " and resid 14   and name HN  ))
 ASSI { 2449}
   (( segid "SH2 " and resid 28   and name HD2 ))
   (( segid "SH2 " and resid 30   and name HA2 ))
      3.500     1.600     1.600 peak  2449 weight  0.10000E+01 volume  0.17440E-02 ppm1      3.170 ppm2      3.580 CV     1
 OR { 2449}
   (( segid "SH2 " and resid 28   and name HD1 ))
   (( segid "SH2 " and resid 30   and name HA2 ))
 ASSI { 2446}
   (( segid "SH2 " and resid 14   and name HD1 ))
   (( segid "SH2 " and resid 14   and name HA  ))
      3.500     1.600     1.600 peak  2446 weight  0.10000E+01 volume  0.17414E-02 ppm1      3.230 ppm2      4.300 CV     1
 OR { 2446}
   (( segid "SH2 " and resid 14   and name HD2 ))
   (( segid "SH2 " and resid 14   and name HA  ))
 ASSI { 2412}
   (( segid "SH2 " and resid 35   and name HD2 ))
   (( segid "SH2 " and resid 35   and name HH22))
      4.600     2.100     1.400 peak  2412 weight  0.10000E+01 volume  0.75570E-03 ppm1      3.530 ppm2      5.900 CV     1
 OR { 2412}
   (( segid "SH2 " and resid 35   and name HD1 ))
   (( segid "SH2 " and resid 35   and name HH22))
 ASSI { 2426}
   (( segid "SH2 " and resid 35   and name HD1 ))
   (  segid "SH2 " and resid 33   and name HD2%)
      4.100     1.900     1.900 peak  2426 weight  0.10000E+01 volume  0.10160E-02 ppm1      3.570 ppm2      0.630 CV     1
 OR { 2426}
   (( segid "SH2 " and resid 35   and name HD2 ))
   (  segid "SH2 " and resid 33   and name HD2%)
 ASSI { 2445}
   (( segid "SH2 " and resid 53   and name HD2 ))
   (( segid "SH2 " and resid 55   and name HA  ))
      3.500     2.000     2.000 peak  2445 weight  0.10000E+01 volume  0.89223E-03 ppm1      3.220 ppm2      4.510 CV     1
 OR { 2445}
   (( segid "SH2 " and resid 53   and name HD1 ))
   (( segid "SH2 " and resid 55   and name HA  ))
 ASSI { 2739}
   (( segid "SH2 " and resid 85   and name HD1 ))
   (( segid "SH2 " and resid 85   and name HG2 ))
      2.200     1.000     1.000 peak  2739 weight  0.10000E+01 volume  0.78100E-02 ppm1      3.160 ppm2      1.480 CV     1
 OR { 2739}
   (( segid "SH2 " and resid 85   and name HD2 ))
   (( segid "SH2 " and resid 85   and name HG1 ))
 OR { 2739}
   (( segid "SH2 " and resid 85   and name HD2 ))
   (( segid "SH2 " and resid 85   and name HG2 ))
 OR { 2739}
   (( segid "SH2 " and resid 85   and name HD1 ))
   (( segid "SH2 " and resid 85   and name HG1 ))
 ASSI { 2455}
   (( segid "SH2 " and resid 53   and name HD2 ))
   (( segid "SH2 " and resid 50   and name HA  ))
      4.500     2.200     1.500 peak  2455 weight  0.10000E+01 volume  0.65715E-03 ppm1      3.200 ppm2      4.180 CV     1
 OR { 2455}
   (( segid "SH2 " and resid 53   and name HD1 ))
   (( segid "SH2 " and resid 50   and name HA  ))
 ASSI { 1831}
   (  segid "SH2 " and resid 73   and name HB% )
   (( segid "SH2 " and resid 73   and name HN  ))
      3.400     1.900     1.900 peak  1831 weight  0.10000E+01 volume  0.96548E-03 ppm1      1.330 ppm2      7.960 CV     1
 ASSI { 1820}
   (  segid "SH2 " and resid 59   and name HG2%)
   (( segid "SH2 " and resid 44   and name HB1 ))
      3.900     1.900     1.900 peak  1820 weight  0.10000E+01 volume  0.90989E-03 ppm1      0.740 ppm2      3.160 CV     1
 ASSI {  263}
   (( segid "SH2 " and resid 21   and name HA  ))
   (( segid "SH2 " and resid 24   and name HN  ))
      3.000     1.700     1.700 peak   263 weight  0.10000E+01 volume  0.13472E-02 ppm1      3.490 ppm2      7.380 CV     1
 ASSI {  264}
   (( segid "SH2 " and resid 21   and name HA  ))
   (( segid "SH2 " and resid 21   and name HB  ))
      3.000     1.500     1.500 peak   264 weight  0.10000E+01 volume  0.19866E-02 ppm1      3.490 ppm2      2.200 CV     1
 ASSI { 1828}
   (  segid "SH2 " and resid 59   and name HG2%)
   (( segid "SH2 " and resid 59   and name HA  ))
      2.500     1.200     1.200 peak  1828 weight  0.10000E+01 volume  0.47517E-02 ppm1      0.740 ppm2      4.490 CV     1
 ASSI {  265}
   (( segid "SH2 " and resid 21   and name HA  ))
   (( segid "SH2 " and resid 54   and name HB  ))
      3.300     1.700     1.700 peak   265 weight  0.10000E+01 volume  0.13396E-02 ppm1      3.490 ppm2      1.920 CV     1
 ASSI { 2514}
   (( segid "SH2 " and resid 21   and name HA  ))
   (  segid "SH2 " and resid 54   and name HG2%)
      2.700     1.300     1.300 peak  2514 weight  0.10000E+01 volume  0.31341E-02 ppm1      3.490 ppm2      0.370 CV     1
 ASSI {  268}
   (( segid "SH2 " and resid 21   and name HA  ))
   (  segid "SH2 " and resid 21   and name HG2%)
      2.200     0.900     0.900 peak   268 weight  0.10000E+01 volume  0.10287E-01 ppm1      3.500 ppm2      0.960 CV     1
 ASSI { 1821}
   (  segid "SH2 " and resid 59   and name HG2%)
   (( segid "SH2 " and resid 44   and name HB2 ))
      2.800     1.600     1.600 peak  1821 weight  0.10000E+01 volume  0.15999E-02 ppm1      0.740 ppm2      2.660 CV     1
 ASSI { 1826}
   (  segid "SH2 " and resid 59   and name HG2%)
   (  segid "SH2 " and resid 44   and name HD% )
      3.300     1.500     1.500 peak  1826 weight  0.10000E+01 volume  0.21711E-02 ppm1      0.740 ppm2      7.040 CV     1
 ASSI { 1822}
   (  segid "SH2 " and resid 59   and name HG2%)
   (( segid "SH2 " and resid 59   and name HB  ))
      2.200     1.000     1.000 peak  1822 weight  0.10000E+01 volume  0.75321E-02 ppm1      0.740 ppm2      1.720 CV     1
 ASSI {  260}
   (( segid "SH2 " and resid 21   and name HA  ))
   (( segid "SH2 " and resid 25   and name HN  ))
      3.200     1.800     1.800 peak   260 weight  0.10000E+01 volume  0.10893E-02 ppm1      3.500 ppm2      8.670 CV     1
 ASSI { 1829}
   (  segid "SH2 " and resid 59   and name HG2%)
   (( segid "SH2 " and resid 61   and name HB2 ))
      3.700     2.300     2.300 peak  1829 weight  0.10000E+01 volume  0.55605E-03 ppm1      0.730 ppm2      3.900 CV     1
 ASSI { 1827}
   (  segid "SH2 " and resid 59   and name HG2%)
   (( segid "SH2 " and resid 86   and name HA  ))
      3.500     1.800     1.800 peak  1827 weight  0.10000E+01 volume  0.12815E-02 ppm1      0.740 ppm2      4.840 CV     1
 ASSI {  262}
   (( segid "SH2 " and resid 21   and name HA  ))
   (( segid "SH2 " and resid 22   and name HN  ))
      3.500     2.000     2.000 peak   262 weight  0.10000E+01 volume  0.79113E-03 ppm1      3.500 ppm2      7.640 CV     1
 ASSI { 1814}
   (  segid "SH2 " and resid 109  and name HG2%)
   (( segid "SH2 " and resid 109  and name HN  ))
      2.900     1.300     1.300 peak  1814 weight  0.10000E+01 volume  0.33868E-02 ppm1      1.230 ppm2      8.310 CV     1
 ASSI { 3225}
   (  segid "SH2 " and resid 109  and name HG2%)
   (( segid "SH2 " and resid 108  and name HN  ))
      3.200     3.200     2.800 peak  3225 weight  0.10000E+01 volume  0.16859E-02 ppm1      1.220 ppm2      8.470 CV     1
 ASSI { 2673}
   (  segid "SH2 " and resid 109  and name HG2%)
   (( segid "SH2 " and resid 29   and name HB1 ))
      3.400     1.800     1.800 peak  2673 weight  0.10000E+01 volume  0.11576E-02 ppm1      1.230 ppm2      3.130 CV     1
 OR { 2673}
   (  segid "SH2 " and resid 109  and name HG2%)
   (( segid "SH2 " and resid 29   and name HB2 ))
 ASSI { 1825}
   (  segid "SH2 " and resid 59   and name HG2%)
   (( segid "SH2 " and resid 60   and name HN  ))
      2.600     1.300     1.300 peak  1825 weight  0.10000E+01 volume  0.33110E-02 ppm1      0.740 ppm2     -0.960 CV     1
 ASSI {  567}
   (( segid "SH2 " and resid 44   and name HB1 ))
   (  segid "SH2 " and resid 59   and name HD1%)
      2.900     1.600     1.600 peak   567 weight  0.10000E+01 volume  0.17996E-02 ppm1      3.170 ppm2      0.730 CV     1
 ASSI { 1806}
   (( segid "SH2 " and resid 44   and name HB2 ))
   (  segid "SH2 " and resid 44   and name HD% )
      2.700     1.700     1.700 peak  1806 weight  0.10000E+01 volume  0.15317E-02 ppm1      2.670 ppm2      7.050 CV     1
 ASSI { 1811}
   (( segid "SH2 " and resid 44   and name HB2 ))
   (( segid "SH2 " and resid 59   and name HB  ))
      2.500     1.500     1.500 peak  1811 weight  0.10000E+01 volume  0.20751E-02 ppm1      2.660 ppm2      1.720 CV     1
 ASSI { 1804}
   (( segid "SH2 " and resid 44   and name HB1 ))
   (  segid "SH2 " and resid 44   and name HD% )
      2.900     1.500     1.500 peak  1804 weight  0.10000E+01 volume  0.20625E-02 ppm1      3.170 ppm2      7.050 CV     1
 ASSI { 1836}
   (  segid "SH2 " and resid 109  and name HG2%)
   (( segid "SH2 " and resid 30   and name HA2 ))
      3.100     3.100     2.900 peak  1836 weight  0.10000E+01 volume  0.17010E-02 ppm1      1.220 ppm2      3.580 CV     1
 ASSI { 1839}
   (  segid "SH2 " and resid 96   and name HB% )
   (( segid "SH2 " and resid 91   and name HB1 ))
      2.500     1.400     1.400 peak  1839 weight  0.10000E+01 volume  0.28055E-02 ppm1      1.580 ppm2      3.280 CV     1
 ASSI { 3068}
   (  segid "SH2 " and resid 96   and name HB% )
   (( segid "SH2 " and resid 92   and name HA  ))
      3.400     3.400     2.600 peak  3068 weight  0.10000E+01 volume  0.36649E-02 ppm1      1.580 ppm2      4.740 CV     1
 ASSI { 1833}
   (  segid "SH2 " and resid 96   and name HB% )
   (( segid "SH2 " and resid 97   and name HN  ))
      2.300     1.100     1.100 peak  1833 weight  0.10000E+01 volume  0.69003E-02 ppm1      1.580 ppm2      6.990 CV     1
 ASSI { 3075}
   (  segid "SH2 " and resid 96   and name HB% )
   (( segid "SH2 " and resid 92   and name HB2 ))
      3.600     1.900     1.900 peak  3075 weight  0.10000E+01 volume  0.10691E-02 ppm1      1.570 ppm2      2.760 CV     1
 OR { 3075}
   (  segid "SH2 " and resid 96   and name HB% )
   (( segid "SH2 " and resid 92   and name HB1 ))
 ASSI { 1832}
   (  segid "SH2 " and resid 96   and name HB% )
   (( segid "SH2 " and resid 93   and name HN  ))
      2.500     1.200     1.200 peak  1832 weight  0.10000E+01 volume  0.44737E-02 ppm1      1.580 ppm2      7.370 CV     1
 ASSI { 1843}
   (( segid "SH2 " and resid 44   and name HB2 ))
   (  segid "SH2 " and resid 59   and name HD1%)
      3.500     1.500     1.500 peak  1843 weight  0.10000E+01 volume  0.20523E-02 ppm1      2.660 ppm2      0.720 CV     1
 ASSI { 1854}
   (( segid "SH2 " and resid 17   and name HD2 ))
   (( segid "SH2 " and resid 17   and name HA  ))
      4.200     2.100     1.800 peak  1854 weight  0.10000E+01 volume  0.68245E-03 ppm1      2.820 ppm2      3.580 CV     1
 OR { 1854}
   (( segid "SH2 " and resid 17   and name HD1 ))
   (( segid "SH2 " and resid 17   and name HA  ))
 ASSI { 3069}
   (( segid "SH2 " and resid 17   and name HD1 ))
   (( segid "SH2 " and resid 35   and name HH11))
      4.100     1.800     1.800 peak  3069 weight  0.10000E+01 volume  0.11955E-02 ppm1      2.870 ppm2      0.190 CV     1
 OR { 3069}
   (( segid "SH2 " and resid 17   and name HD2 ))
   (( segid "SH2 " and resid 35   and name HH11))
 ASSI { 1845}
   (( segid "SH2 " and resid 17   and name HD1 ))
   (( segid "SH2 " and resid 17   and name HB2 ))
      3.100     1.400     1.400 peak  1845 weight  0.10000E+01 volume  0.28055E-02 ppm1      2.830 ppm2      1.240 CV     1
 OR { 1845}
   (( segid "SH2 " and resid 17   and name HD2 ))
   (( segid "SH2 " and resid 17   and name HB2 ))
 ASSI { 1649}
   (( segid "SH2 " and resid 43   and name HB2 ))
   (( segid "SH2 " and resid 40   and name HB1 ))
      3.200     1.900     1.900 peak  1649 weight  0.10000E+01 volume  0.91493E-03 ppm1      2.760 ppm2      4.150 CV     1
 ASSI { 1840}
   (  segid "SH2 " and resid 96   and name HB% )
   (( segid "SH2 " and resid 92   and name HN  ))
      3.300     1.800     1.800 peak  1840 weight  0.10000E+01 volume  0.11500E-02 ppm1      1.580 ppm2     -0.870 CV     1
 ASSI { 1859}
   (( segid "SH2 " and resid 17   and name HD2 ))
   (( segid "SH2 " and resid 17   and name HG2 ))
      3.000     1.800     1.800 peak  1859 weight  0.10000E+01 volume  0.12637E-02 ppm1      2.860 ppm2      2.020 CV     1
 OR { 1859}
   (( segid "SH2 " and resid 17   and name HD1 ))
   (( segid "SH2 " and resid 17   and name HG1 ))
 OR { 1859}
   (( segid "SH2 " and resid 17   and name HD1 ))
   (( segid "SH2 " and resid 17   and name HG2 ))
 OR { 1859}
   (( segid "SH2 " and resid 17   and name HD2 ))
   (( segid "SH2 " and resid 17   and name HG1 ))
 ASSI { 1881}
   (( segid "SH2 " and resid 55   and name HB1 ))
   (( segid "SH2 " and resid 48   and name HB  ))
      3.500     1.900     1.900 peak  1881 weight  0.10000E+01 volume  0.10615E-02 ppm1      3.660 ppm2      1.830 CV     1
 ASSI { 1883}
   (( segid "SH2 " and resid 55   and name HB1 ))
   (  segid "SH2 " and resid 48   and name HG2%)
      2.900     1.500     1.500 peak  1883 weight  0.10000E+01 volume  0.19260E-02 ppm1      3.650 ppm2      0.900 CV     1
 ASSI { 1866}
   (( segid "SH2 " and resid 55   and name HB1 ))
   (  segid "SH2 " and resid 57   and name HE% )
      2.900     1.600     1.600 peak  1866 weight  0.10000E+01 volume  0.17263E-02 ppm1      3.650 ppm2      6.380 CV     1
 ASSI { 1865}
   (( segid "SH2 " and resid 55   and name HB2 ))
   (  segid "SH2 " and resid 57   and name HE% )
      3.700     1.600     1.600 peak  1865 weight  0.10000E+01 volume  0.16631E-02 ppm1      3.210 ppm2      6.380 CV     1
 ASSI { 1079}
   (( segid "SH2 " and resid 10   and name HZ2 ))
   (( segid "SH2 " and resid 10   and name HH2 ))
      2.300     1.200     1.200 peak  1079 weight  0.10000E+01 volume  0.50550E-02 ppm1      7.410 ppm2      6.950 CV     1
 ASSI { 1876}
   (( segid "SH2 " and resid 55   and name HB1 ))
   (( segid "SH2 " and resid 55   and name HA  ))
      3.200     1.600     1.600 peak  1876 weight  0.10000E+01 volume  0.16555E-02 ppm1      3.650 ppm2      4.490 CV     1
 ASSI { 1867}
   (( segid "SH2 " and resid 55   and name HB1 ))
   (  segid "SH2 " and resid 57   and name HD% )
      3.500     2.100     2.100 peak  1867 weight  0.10000E+01 volume  0.69507E-03 ppm1      3.650 ppm2      6.720 CV     1
 ASSI { 1875}
   (( segid "SH2 " and resid 55   and name HB2 ))
   (( segid "SH2 " and resid 55   and name HA  ))
      2.800     1.400     1.400 peak  1875 weight  0.10000E+01 volume  0.25275E-02 ppm1      3.220 ppm2      4.490 CV     1
 ASSI { 1882}
   (( segid "SH2 " and resid 55   and name HB2 ))
   (  segid "SH2 " and resid 48   and name HG2%)
      3.500     1.700     1.700 peak  1882 weight  0.10000E+01 volume  0.14988E-02 ppm1      3.220 ppm2      0.910 CV     1
 ASSI { 1864}
   (( segid "SH2 " and resid 55   and name HB2 ))
   (  segid "SH2 " and resid 57   and name HD% )
      4.300     1.900     1.700 peak  1864 weight  0.10000E+01 volume  0.10060E-02 ppm1      3.220 ppm2      6.700 CV     1
 ASSI { 1081}
   (( segid "SH2 " and resid 10   and name HZ2 ))
   (( segid "SH2 " and resid 95   and name HD1 ))
      3.200     1.600     1.600 peak  1081 weight  0.10000E+01 volume  0.17667E-02 ppm1      7.410 ppm2      3.790 CV     1
 OR { 1081}
   (( segid "SH2 " and resid 10   and name HZ2 ))
   (( segid "SH2 " and resid 95   and name HD2 ))
 ASSI { 1085}
   (( segid "SH2 " and resid 10   and name HZ2 ))
   (( segid "SH2 " and resid 95   and name HB2 ))
      4.300     1.400     1.400 peak  1085 weight  0.10000E+01 volume  0.23986E-02 ppm1      7.410 ppm2      2.020 CV     1
 ASSI { 2587}
   (( segid "SH2 " and resid 55   and name HB2 ))
   (( segid "SH2 " and resid 48   and name HB  ))
      3.600     1.900     1.900 peak  2587 weight  0.10000E+01 volume  0.94278E-03 ppm1      3.220 ppm2      1.840 CV     1
 ASSI { 1084}
   (( segid "SH2 " and resid 10   and name HZ2 ))
   (( segid "SH2 " and resid 95   and name HB1 ))
      3.800     1.600     1.600 peak  1084 weight  0.10000E+01 volume  0.15746E-02 ppm1      7.410 ppm2      2.330 CV     1
 ASSI { 1889}
   (( segid "SH2 " and resid 97   and name HB2 ))
   (  segid "SH2 " and resid 97   and name HD2%)
      3.000     1.700     1.700 peak  1889 weight  0.10000E+01 volume  0.15595E-02 ppm1      1.690 ppm2      0.510 CV     1
 OR { 1889}
   (( segid "SH2 " and resid 97   and name HB1 ))
   (  segid "SH2 " and resid 97   and name HD2%)
 ASSI {  554}
   (( segid "SH2 " and resid 43   and name HB2 ))
   (( segid "SH2 " and resid 43   and name HA  ))
      3.000     1.500     1.500 peak   554 weight  0.10000E+01 volume  0.21408E-02 ppm1      2.750 ppm2      5.080 CV     1
 ASSI { 3092}
   (  segid "SH2 " and resid 20   and name HB% )
   (( segid "SH2 " and resid 35   and name HH12))
      4.800     2.100     1.200 peak  3092 weight  0.10000E+01 volume  0.67486E-03 ppm1      1.400 ppm2      5.740 CV     1
 ASSI { 3091}
   (  segid "SH2 " and resid 20   and name HB% )
   (( segid "SH2 " and resid 35   and name HH22))
      4.800     2.300     1.200 peak  3091 weight  0.10000E+01 volume  0.56867E-03 ppm1      1.400 ppm2      5.880 CV     1
 ASSI { 2605}
   (  segid "SH2 " and resid 20   and name HB% )
   (  segid "SH2 " and resid 33   and name HD1%)
      2.800     1.300     1.300 peak  2605 weight  0.10000E+01 volume  0.36396E-02 ppm1      1.410 ppm2     -0.090 CV     1
 ASSI { 2604}
   (  segid "SH2 " and resid 20   and name HB% )
   (  segid "SH2 " and resid 24   and name HD2%)
      2.900     2.900     3.100 peak  2604 weight  0.10000E+01 volume  0.65460E-02 ppm1      1.410 ppm2      0.510 CV     1
 ASSI {  245}
   (  segid "SH2 " and resid 20   and name HB% )
   (( segid "SH2 " and resid 20   and name HN  ))
      2.200     1.000     1.000 peak   245 weight  0.10000E+01 volume  0.81134E-02 ppm1      1.410 ppm2      8.250 CV     1
 ASSI {  255}
   (  segid "SH2 " and resid 20   and name HB% )
   (  segid "SH2 " and resid 33   and name HD2%)
      2.600     1.100     1.100 peak   255 weight  0.10000E+01 volume  0.52067E-02 ppm1      1.410 ppm2      0.620 CV     1
 ASSI { 3088}
   (  segid "SH2 " and resid 20   and name HB% )
   (( segid "SH2 " and resid 35   and name HE  ))
      2.700     1.400     1.400 peak  3088 weight  0.10000E+01 volume  0.24340E-02 ppm1      1.410 ppm2      6.440 CV     1
 ASSI {  244}
   (  segid "SH2 " and resid 20   and name HB% )
   (( segid "SH2 " and resid 21   and name HN  ))
      2.400     1.200     1.200 peak   244 weight  0.10000E+01 volume  0.44484E-02 ppm1      1.410 ppm2      8.350 CV     1
 ASSI { 1705}
   (( segid "SH2 " and resid 107  and name HB1 ))
   (( segid "SH2 " and resid 107  and name HN  ))
      2.800     1.400     1.400 peak  1705 weight  0.10000E+01 volume  0.27044E-02 ppm1      2.930 ppm2      8.460 CV     1
 ASSI { 1704}
   (( segid "SH2 " and resid 107  and name HB2 ))
   (( segid "SH2 " and resid 107  and name HN  ))
      2.800     1.400     1.400 peak  1704 weight  0.10000E+01 volume  0.26033E-02 ppm1      2.800 ppm2      8.470 CV     1
 ASSI { 3204}
   (( segid "SH2 " and resid 102  and name HE1 ))
   (( segid "SH2 " and resid 99   and name HA  ))
      4.000     2.000     2.000 peak  3204 weight  0.10000E+01 volume  0.87706E-03 ppm1      2.800 ppm2      3.700 CV     1
 ASSI { 1897}
   (( segid "SH2 " and resid 102  and name HE1 ))
   (( segid "SH2 " and resid 102  and name HG2 ))
      3.100     1.500     1.500 peak  1897 weight  0.10000E+01 volume  0.20801E-02 ppm1      2.790 ppm2      1.210 CV     1
 OR { 1897}
   (( segid "SH2 " and resid 102  and name HE1 ))
   (( segid "SH2 " and resid 102  and name HG1 ))
 ASSI { 1896}
   (( segid "SH2 " and resid 102  and name HE2 ))
   (( segid "SH2 " and resid 102  and name HG2 ))
      2.900     1.600     1.600 peak  1896 weight  0.10000E+01 volume  0.17642E-02 ppm1      2.590 ppm2      1.210 CV     1
 OR { 1896}
   (( segid "SH2 " and resid 102  and name HE2 ))
   (( segid "SH2 " and resid 102  and name HG1 ))
 ASSI { 3205}
   (( segid "SH2 " and resid 102  and name HE2 ))
   (( segid "SH2 " and resid 99   and name HA  ))
      3.600     1.900     1.900 peak  3205 weight  0.10000E+01 volume  0.90735E-03 ppm1      2.590 ppm2      3.680 CV     1
 ASSI { 1894}
   (( segid "SH2 " and resid 102  and name HE1 ))
   (( segid "SH2 " and resid 102  and name HB1 ))
      3.200     1.300     1.300 peak  1894 weight  0.10000E+01 volume  0.38671E-02 ppm1      2.790 ppm2      1.600 CV     1
 OR { 1894}
   (( segid "SH2 " and resid 102  and name HE1 ))
   (( segid "SH2 " and resid 102  and name HB2 ))
 ASSI { 1895}
   (( segid "SH2 " and resid 102  and name HE2 ))
   (( segid "SH2 " and resid 102  and name HB1 ))
      2.800     1.200     1.200 peak  1895 weight  0.10000E+01 volume  0.40187E-02 ppm1      2.590 ppm2      1.600 CV     1
 OR { 1895}
   (( segid "SH2 " and resid 102  and name HE2 ))
   (( segid "SH2 " and resid 102  and name HB2 ))
 ASSI {  242}
   (  segid "SH2 " and resid 22   and name HB% )
   (( segid "SH2 " and resid 23   and name HN  ))
      2.600     1.100     1.100 peak   242 weight  0.10000E+01 volume  0.55605E-02 ppm1      1.430 ppm2      7.340 CV     1
 ASSI {  241}
   (  segid "SH2 " and resid 22   and name HB% )
   (( segid "SH2 " and resid 22   and name HN  ))
      2.100     0.900     0.900 peak   241 weight  0.10000E+01 volume  0.13421E-01 ppm1      1.430 ppm2      7.640 CV     1
 ASSI { 1030}
   (( segid "SH2 " and resid 104  and name HD2 ))
   (( segid "SH2 " and resid 104  and name HA  ))
      2.900     1.400     1.400 peak  1030 weight  0.10000E+01 volume  0.25780E-02 ppm1      7.200 ppm2      4.390 CV     1
 ASSI { 1915}
   (( segid "SH2 " and resid 93   and name HB1 ))
   (( segid "SH2 " and resid 96   and name HN  ))
      3.600     2.000     2.000 peak  1915 weight  0.10000E+01 volume  0.86438E-03 ppm1      4.020 ppm2      7.270 CV     1
 OR { 1915}
   (( segid "SH2 " and resid 93   and name HB2 ))
   (( segid "SH2 " and resid 96   and name HN  ))
 ASSI { 1913}
   (( segid "SH2 " and resid 93   and name HB1 ))
   (( segid "SH2 " and resid 93   and name HA  ))
      2.500     1.200     1.200 peak  1913 weight  0.10000E+01 volume  0.48275E-02 ppm1      4.020 ppm2      4.560 CV     1
 OR { 1913}
   (( segid "SH2 " and resid 93   and name HB2 ))
   (( segid "SH2 " and resid 93   and name HA  ))
 ASSI { 1909}
   (( segid "SH2 " and resid 93   and name HB1 ))
   (( segid "SH2 " and resid 94   and name HN  ))
      2.900     1.500     1.500 peak  1909 weight  0.10000E+01 volume  0.20473E-02 ppm1      4.030 ppm2     -0.630 CV     1
 OR { 1909}
   (( segid "SH2 " and resid 93   and name HB2 ))
   (( segid "SH2 " and resid 94   and name HN  ))
 ASSI { 1919}
   (  segid "SH2 " and resid 58   and name HG2%)
   (  segid "SH2 " and resid 57   and name HD% )
      3.800     1.700     1.700 peak  1919 weight  0.10000E+01 volume  0.15013E-02 ppm1      0.970 ppm2      6.710 CV     1
 ASSI { 1920}
   (  segid "SH2 " and resid 58   and name HG2%)
   (( segid "SH2 " and resid 57   and name HA  ))
      4.000     1.400     1.400 peak  1920 weight  0.10000E+01 volume  0.26791E-02 ppm1      0.970 ppm2      4.880 CV     1
 ASSI { 3097}
   (  segid "SH2 " and resid 58   and name HG2%)
   (( segid "SH2 " and resid 43   and name HB1 ))
      3.400     3.400     2.600 peak  3097 weight  0.10000E+01 volume  0.44231E-02 ppm1      0.970 ppm2      2.930 CV     1
 ASSI { 1923}
   (  segid "SH2 " and resid 58   and name HG2%)
   (( segid "PEP " and resid 223  and name HG1 ))
      3.100     1.700     1.700 peak  1923 weight  0.10000E+01 volume  0.14988E-02 ppm1      0.970 ppm2      2.430 CV     1
 ASSI { 3096}
   (  segid "SH2 " and resid 58   and name HG2%)
   (( segid "SH2 " and resid 37   and name HB2 ))
      3.100     3.100     2.900 peak  3096 weight  0.10000E+01 volume  0.65715E-02 ppm1      0.970 ppm2      3.130 CV     1
 ASSI { 1405}
   (( segid "SH2 " and resid 92   and name HB2 ))
   (( segid "SH2 " and resid 92   and name HA  ))
      2.500     1.000     1.000 peak  1405 weight  0.10000E+01 volume  0.73300E-02 ppm1      2.740 ppm2      4.750 CV     1
 OR { 1405}
   (( segid "SH2 " and resid 92   and name HB1 ))
   (( segid "SH2 " and resid 92   and name HA  ))
 ASSI { 1404}
   (( segid "SH2 " and resid 92   and name HB1 ))
   (( segid "SH2 " and resid 93   and name HN  ))
      3.400     1.700     1.700 peak  1404 weight  0.10000E+01 volume  0.13219E-02 ppm1      2.750 ppm2      7.390 CV     1
 OR { 1404}
   (( segid "SH2 " and resid 92   and name HB2 ))
   (( segid "SH2 " and resid 93   and name HN  ))
 ASSI { 1409}
   (( segid "SH2 " and resid 60   and name HB2 ))
   (( segid "SH2 " and resid 85   and name HB1 ))
      3.100     1.700     1.700 peak  1409 weight  0.10000E+01 volume  0.13396E-02 ppm1      2.870 ppm2      1.860 CV     1
 ASSI { 1407}
   (( segid "SH2 " and resid 60   and name HB1 ))
   (( segid "SH2 " and resid 85   and name HB1 ))
      2.800     1.600     1.600 peak  1407 weight  0.10000E+01 volume  0.16277E-02 ppm1      2.540 ppm2      1.840 CV     1
 ASSI { 1757}
   (  segid "SH2 " and resid 112  and name HG2%)
   (( segid "SH2 " and resid 113  and name HA  ))
      3.700     1.900     1.900 peak  1757 weight  0.10000E+01 volume  0.10515E-02 ppm1      0.920 ppm2      4.990 CV     1
 ASSI { 1759}
   (  segid "SH2 " and resid 112  and name HG2%)
   (( segid "SH2 " and resid 112  and name HA  ))
      2.300     1.000     1.000 peak  1759 weight  0.10000E+01 volume  0.84417E-02 ppm1      0.910 ppm2      4.380 CV     1
 ASSI { 1937}
   (( segid "SH2 " and resid 47   and name HB2 ))
   (  segid "SH2 " and resid 20   and name HB% )
      3.500     2.000     2.000 peak  1937 weight  0.10000E+01 volume  0.87955E-03 ppm1      3.390 ppm2      1.410 CV     1
 ASSI { 1758}
   (  segid "SH2 " and resid 112  and name HG2%)
   (( segid "SH2 " and resid 30   and name HA1 ))
      3.900     1.500     1.500 peak  1758 weight  0.10000E+01 volume  0.21003E-02 ppm1      0.900 ppm2      4.730 CV     1
 ASSI { 1939}
   (( segid "SH2 " and resid 47   and name HB1 ))
   (( segid "SH2 " and resid 33   and name HG  ))
      3.100     2.100     2.100 peak  1939 weight  0.10000E+01 volume  0.75321E-03 ppm1      3.490 ppm2      1.640 CV     1
 ASSI { 1931}
   (( segid "SH2 " and resid 47   and name HB1 ))
   (  segid "SH2 " and resid 54   and name HG2%)
      3.500     1.900     1.900 peak  1931 weight  0.10000E+01 volume  0.94782E-03 ppm1      3.480 ppm2      0.360 CV     1
 ASSI { 2541}
   (( segid "SH2 " and resid 47   and name HB2 ))
   (  segid "SH2 " and resid 24   and name HD1%)
      3.300     1.400     1.400 peak  2541 weight  0.10000E+01 volume  0.25275E-02 ppm1      3.390 ppm2      0.560 CV     1
 ASSI { 1932}
   (( segid "SH2 " and resid 47   and name HB2 ))
   (  segid "SH2 " and resid 54   and name HG2%)
      4.100     2.000     1.900 peak  1932 weight  0.10000E+01 volume  0.83914E-03 ppm1      3.400 ppm2      0.370 CV     1
 ASSI { 1938}
   (( segid "SH2 " and resid 47   and name HB2 ))
   (( segid "SH2 " and resid 33   and name HG  ))
      3.200     2.100     2.100 peak  1938 weight  0.10000E+01 volume  0.71528E-03 ppm1      3.380 ppm2      1.590 CV     1
 ASSI { 1936}
   (( segid "SH2 " and resid 47   and name HB1 ))
   (  segid "SH2 " and resid 20   and name HB% )
      3.400     1.900     1.900 peak  1936 weight  0.10000E+01 volume  0.99333E-03 ppm1      3.500 ppm2      1.410 CV     1
 ASSI { 1767}
   (( segid "SH2 " and resid 60   and name HB1 ))
   (( segid "SH2 " and resid 85   and name HB2 ))
      4.000     1.700     1.700 peak  1767 weight  0.10000E+01 volume  0.14432E-02 ppm1      2.550 ppm2      1.660 CV     1
 ASSI { 1763}
   (( segid "SH2 " and resid 111  and name HB2 ))
   (  segid "SH2 " and resid 111  and name HD2%)
      2.700     1.600     1.600 peak  1763 weight  0.10000E+01 volume  0.15948E-02 ppm1      1.190 ppm2     -0.020 CV     1
 ASSI { 1769}
   (( segid "SH2 " and resid 60   and name HB1 ))
   (( segid "SH2 " and resid 85   and name HG2 ))
      3.500     1.900     1.900 peak  1769 weight  0.10000E+01 volume  0.10363E-02 ppm1      2.540 ppm2      1.490 CV     1
 OR { 1769}
   (( segid "SH2 " and resid 60   and name HB1 ))
   (( segid "SH2 " and resid 85   and name HG1 ))
 ASSI { 2794}
   (  segid "SH2 " and resid 112  and name HG2%)
   (( segid "SH2 " and resid 112  and name HN  ))
      3.700     1.500     1.500 peak  2794 weight  0.10000E+01 volume  0.22217E-02 ppm1      0.910 ppm2     -0.910 CV     1
 ASSI { 1764}
   (( segid "SH2 " and resid 111  and name HB2 ))
   (( segid "SH2 " and resid 111  and name HG  ))
      2.600     1.300     1.300 peak  1764 weight  0.10000E+01 volume  0.30330E-02 ppm1      1.190 ppm2      0.790 CV     1
 ASSI { 2579}
   (  segid "SH2 " and resid 86   and name HG2%)
   (  segid "SH2 " and resid 84   and name HD2%)
      3.200     3.200     2.800 peak  2579 weight  0.10000E+01 volume  0.41198E-02 ppm1      1.300 ppm2      0.880 CV     1
 ASSI { 1941}
   (  segid "SH2 " and resid 86   and name HG2%)
   (( segid "SH2 " and resid 85   and name HA  ))
      3.600     1.700     1.700 peak  1941 weight  0.10000E+01 volume  0.15039E-02 ppm1      1.300 ppm2      5.330 CV     1
 ASSI { 2580}
   (  segid "SH2 " and resid 86   and name HG2%)
   (( segid "SH2 " and resid 86   and name HB  ))
      2.200     1.000     1.000 peak  2580 weight  0.10000E+01 volume  0.73549E-02 ppm1      1.300 ppm2      1.840 CV     1
 ASSI { 3105}
   (  segid "SH2 " and resid 86   and name HG2%)
   (( segid "SH2 " and resid 90   and name HA  ))
      3.500     2.100     2.100 peak  3105 weight  0.10000E+01 volume  0.74562E-03 ppm1      1.300 ppm2      5.170 CV     1
 ASSI { 2469}
   (( segid "SH2 " and resid 61   and name HB1 ))
   (  segid "SH2 " and resid 44   and name HD% )
      4.300     2.200     1.700 peak  2469 weight  0.10000E+01 volume  0.57376E-03 ppm1      4.020 ppm2      7.030 CV     1
 ASSI { 2586}
   (  segid "SH2 " and resid 86   and name HG2%)
   (  segid "SH2 " and resid 97   and name HD1%)
      2.300     1.000     1.000 peak  2586 weight  0.10000E+01 volume  0.92252E-02 ppm1      1.300 ppm2      0.710 CV     1
 ASSI { 2577}
   (  segid "SH2 " and resid 86   and name HG2%)
   (  segid "SH2 " and resid 86   and name HD1%)
      2.900     0.900     0.900 peak  2577 weight  0.10000E+01 volume  0.10868E-01 ppm1      1.300 ppm2      0.470 CV     1
 ASSI { 1948}
   (  segid "SH2 " and resid 86   and name HG2%)
   (( segid "SH2 " and resid 86   and name HN  ))
      2.300     1.100     1.100 peak  1948 weight  0.10000E+01 volume  0.54594E-02 ppm1      1.300 ppm2      8.590 CV     1
 ASSI { 1294}
   (  segid "SH2 " and resid 86   and name HG2%)
   (  segid "SH2 " and resid 100  and name HD% )
      3.200     1.800     1.800 peak  1294 weight  0.10000E+01 volume  0.12284E-02 ppm1      1.290 ppm2      5.710 CV     1
 ASSI { 1960}
   (( segid "SH2 " and resid 61   and name HB1 ))
   (( segid "SH2 " and resid 62   and name HN  ))
      4.100     2.000     1.900 peak  1960 weight  0.10000E+01 volume  0.79872E-03 ppm1      4.010 ppm2      8.570 CV     1
 ASSI { 1949}
   (  segid "SH2 " and resid 86   and name HG2%)
   (( segid "SH2 " and resid 89   and name HN  ))
      3.300     1.800     1.800 peak  1949 weight  0.10000E+01 volume  0.10969E-02 ppm1      1.300 ppm2      8.260 CV     1
 ASSI { 1953}
   (( segid "SH2 " and resid 61   and name HB1 ))
   (  segid "SH2 " and resid 84   and name HD2%)
      3.800     3.800     2.200 peak  1953 weight  0.10000E+01 volume  0.14356E-02 ppm1      4.020 ppm2      0.890 CV     1
 ASSI { 1956}
   (( segid "SH2 " and resid 61   and name HB2 ))
   (  segid "SH2 " and resid 44   and name HE% )
      3.500     1.900     1.900 peak  1956 weight  0.10000E+01 volume  0.91493E-03 ppm1      3.880 ppm2      6.830 CV     1
 ASSI { 1955}
   (( segid "SH2 " and resid 61   and name HB2 ))
   (( segid "SH2 " and resid 61   and name HA  ))
      2.600     1.400     1.400 peak  1955 weight  0.10000E+01 volume  0.29824E-02 ppm1      3.890 ppm2      5.090 CV     1
 ASSI { 1959}
   (( segid "SH2 " and resid 38   and name HB1 ))
   (( segid "SH2 " and resid 39   and name HN  ))
      3.700     2.000     2.000 peak  1959 weight  0.10000E+01 volume  0.83659E-03 ppm1      4.030 ppm2      7.450 CV     1
 ASSI { 1300}
   (( segid "SH2 " and resid 94   and name HB2 ))
   (( segid "SH2 " and resid 94   and name HN  ))
      2.500     1.700     1.700 peak  1300 weight  0.10000E+01 volume  0.15089E-02 ppm1      1.180 ppm2     -0.640 CV     1
 ASSI { 1950}
   (( segid "SH2 " and resid 88   and name HB2 ))
   (( segid "SH2 " and resid 88   and name HN  ))
      2.800     1.500     1.500 peak  1950 weight  0.10000E+01 volume  0.23329E-02 ppm1      2.700 ppm2      8.600 CV     1
 ASSI { 1306}
   (( segid "SH2 " and resid 98   and name HB2 ))
   (( segid "SH2 " and resid 98   and name HN  ))
      2.600     1.500     1.500 peak  1306 weight  0.10000E+01 volume  0.20422E-02 ppm1      0.700 ppm2      7.810 CV     1
 ASSI { 1307}
   (( segid "SH2 " and resid 98   and name HB2 ))
   (( segid "SH2 " and resid 98   and name HB1 ))
      1.800     1.100     1.100 peak  1307 weight  0.10000E+01 volume  0.58893E-02 ppm1      0.700 ppm2      1.460 CV     1
 ASSI { 2567}
   (( segid "SH2 " and resid 86   and name HB  ))
   (( segid "SH2 " and resid 59   and name HA  ))
      3.500     1.800     1.800 peak  2567 weight  0.10000E+01 volume  0.11677E-02 ppm1      1.820 ppm2      4.500 CV     1
 ASSI { 2575}
   (( segid "SH2 " and resid 94   and name HB2 ))
   (  segid "SH2 " and resid 94   and name HD1%)
      2.600     1.500     1.500 peak  2575 weight  0.10000E+01 volume  0.20574E-02 ppm1      1.170 ppm2      0.580 CV     1
 ASSI {  527}
   (( segid "SH2 " and resid 36   and name HB2 ))
   (( segid "SH2 " and resid 14   and name HA  ))
      3.300     1.500     1.500 peak   527 weight  0.10000E+01 volume  0.20245E-02 ppm1      2.360 ppm2      4.290 CV     1
 ASSI { 2574}
   (( segid "SH2 " and resid 94   and name HB2 ))
   (  segid "SH2 " and resid 94   and name HD2%)
      3.300     1.500     1.500 peak  2574 weight  0.10000E+01 volume  0.22141E-02 ppm1      1.170 ppm2      0.360 CV     1
 ASSI { 2622}
   (( segid "SH2 " and resid 94   and name HB1 ))
   (( segid "SH2 " and resid 95   and name HD1 ))
      3.000     1.500     1.500 peak  2622 weight  0.10000E+01 volume  0.19916E-02 ppm1      1.910 ppm2      3.790 CV     1
 OR { 2622}
   (( segid "SH2 " and resid 94   and name HB1 ))
   (( segid "SH2 " and resid 95   and name HD2 ))
 ASSI {  524}
   (( segid "SH2 " and resid 36   and name HB2 ))
   (( segid "SH2 " and resid 37   and name HN  ))
      4.500     2.100     1.500 peak   524 weight  0.10000E+01 volume  0.69252E-03 ppm1      2.380 ppm2      8.060 CV     1
 ASSI { 2571}
   (( segid "SH2 " and resid 94   and name HB1 ))
   (  segid "SH2 " and resid 94   and name HD2%)
      2.500     1.500     1.500 peak  2571 weight  0.10000E+01 volume  0.22318E-02 ppm1      1.910 ppm2      0.370 CV     1
 ASSI { 1943}
   (( segid "SH2 " and resid 94   and name HB2 ))
   (( segid "SH2 " and resid 94   and name HA  ))
      2.800     1.500     1.500 peak  1943 weight  0.10000E+01 volume  0.19916E-02 ppm1      1.170 ppm2      4.020 CV     1
 ASSI { 1947}
   (( segid "SH2 " and resid 94   and name HB1 ))
   (( segid "SH2 " and resid 94   and name HB2 ))
      1.700     1.100     1.100 peak  1947 weight  0.10000E+01 volume  0.60660E-02 ppm1      1.900 ppm2      1.170 CV     1
 ASSI { 2619}
   (( segid "SH2 " and resid 41   and name HA  ))
   (( segid "SH2 " and resid 42   and name HN  ))
      2.300     1.000     1.000 peak  2619 weight  0.10000E+01 volume  0.69756E-02 ppm1      4.200 ppm2      8.720 CV     1
 ASSI { 1433}
   (( segid "SH2 " and resid 94   and name HB1 ))
   (( segid "SH2 " and resid 94   and name HN  ))
      3.500     1.500     1.500 peak  1433 weight  0.10000E+01 volume  0.21383E-02 ppm1      1.900 ppm2     -0.630 CV     1
 ASSI { 1966}
   (( segid "SH2 " and resid 61   and name HB2 ))
   (  segid "SH2 " and resid 84   and name HD2%)
      2.900     2.900     3.100 peak  1966 weight  0.10000E+01 volume  0.24871E-02 ppm1      3.860 ppm2      0.900 CV     1
 ASSI { 2655}
   (( segid "SH2 " and resid 41   and name HA  ))
   (( segid "SH2 " and resid 41   and name HB2 ))
      2.700     1.100     1.100 peak  2655 weight  0.10000E+01 volume  0.51308E-02 ppm1      4.200 ppm2      2.240 CV     1
 ASSI { 2618}
   (( segid "SH2 " and resid 41   and name HA  ))
   (( segid "SH2 " and resid 43   and name HN  ))
      3.400     1.700     1.700 peak  2618 weight  0.10000E+01 volume  0.14861E-02 ppm1      4.190 ppm2      7.770 CV     1
 ASSI { 1962}
   (( segid "SH2 " and resid 62   and name HB1 ))
   (( segid "SH2 " and resid 62   and name HN  ))
      2.900     1.500     1.500 peak  1962 weight  0.10000E+01 volume  0.21711E-02 ppm1      3.850 ppm2      8.570 CV     1
 OR { 1962}
   (( segid "SH2 " and resid 62   and name HB2 ))
   (( segid "SH2 " and resid 62   and name HN  ))
 ASSI { 2466}
   (( segid "SH2 " and resid 38   and name HB2 ))
   (( segid "SH2 " and resid 39   and name HN  ))
      3.300     2.000     2.000 peak  2466 weight  0.10000E+01 volume  0.85176E-03 ppm1      3.970 ppm2      7.470 CV     1
 ASSI { 2627}
   (( segid "SH2 " and resid 94   and name HB2 ))
   (( segid "SH2 " and resid 95   and name HD1 ))
      2.500     1.600     1.600 peak  2627 weight  0.10000E+01 volume  0.17414E-02 ppm1      1.160 ppm2      3.790 CV     1
 OR { 2627}
   (( segid "SH2 " and resid 94   and name HB2 ))
   (( segid "SH2 " and resid 95   and name HD2 ))
 ASSI { 2468}
   (( segid "SH2 " and resid 38   and name HB2 ))
   (( segid "SH2 " and resid 38   and name HN  ))
      3.200     2.000     2.000 peak  2468 weight  0.10000E+01 volume  0.86693E-03 ppm1      3.980 ppm2      1.020 CV     1
 ASSI { 1432}
   (( segid "SH2 " and resid 94   and name HB1 ))
   (( segid "SH2 " and resid 94   and name HA  ))
      2.700     1.600     1.600 peak  1432 weight  0.10000E+01 volume  0.17465E-02 ppm1      1.900 ppm2      4.030 CV     1
 ASSI { 3106}
   (( segid "SH2 " and resid 36   and name HB1 ))
   (( segid "SH2 " and resid 44   and name HA  ))
      4.600     2.100     1.400 peak  3106 weight  0.10000E+01 volume  0.74811E-03 ppm1      2.800 ppm2      5.400 CV     1
 ASSI { 3107}
   (( segid "SH2 " and resid 59   and name HB  ))
   (  segid "SH2 " and resid 44   and name HD% )
      4.500     2.000     1.500 peak  3107 weight  0.10000E+01 volume  0.81893E-03 ppm1      1.760 ppm2      7.060 CV     1
 ASSI { 3405}
   (( segid "SH2 " and resid 38   and name HB2 ))
   (( segid "SH2 " and resid 40   and name HN  ))
      4.400     2.300     1.600 peak  3405 weight  0.10000E+01 volume  0.52825E-03 ppm1      3.980 ppm2      7.630 CV     1
 ASSI {  826}
   (( segid "SH2 " and resid 100  and name HB1 ))
   (( segid "SH2 " and resid 100  and name HA  ))
      3.200     1.600     1.600 peak   826 weight  0.10000E+01 volume  0.16454E-02 ppm1      2.940 ppm2      4.110 CV     1
 ASSI { 1417}
   (( segid "SH2 " and resid 59   and name HB  ))
   (( segid "SH2 " and resid 44   and name HB1 ))
      2.800     1.700     1.700 peak  1417 weight  0.10000E+01 volume  0.14786E-02 ppm1      1.730 ppm2      3.160 CV     1
 ASSI { 2482}
   (( segid "SH2 " and resid 100  and name HB1 ))
   (  segid "SH2 " and resid 100  and name HD% )
      3.100     2.000     2.000 peak  2482 weight  0.10000E+01 volume  0.83914E-03 ppm1      2.940 ppm2      5.700 CV     1
 ASSI { 1413}
   (( segid "SH2 " and resid 100  and name HB1 ))
   (( segid "SH2 " and resid 97   and name HA  ))
      3.200     2.100     2.100 peak  1413 weight  0.10000E+01 volume  0.67486E-03 ppm1      2.990 ppm2      1.980 CV     1
 ASSI { 1427}
   (( segid "SH2 " and resid 103  and name HB  ))
   (  segid "SH2 " and resid 103  and name HD1%)
      2.700     1.200     1.200 peak  1427 weight  0.10000E+01 volume  0.40693E-02 ppm1      1.560 ppm2      0.690 CV     1
 ASSI { 1420}
   (( segid "SH2 " and resid 103  and name HB  ))
   (( segid "SH2 " and resid 103  and name HN  ))
      2.700     1.300     1.300 peak  1420 weight  0.10000E+01 volume  0.31341E-02 ppm1      1.560 ppm2      6.750 CV     1
 ASSI { 2800}
   (( segid "SH2 " and resid 103  and name HB  ))
   (  segid "SH2 " and resid 103  and name HG2%)
      2.400     1.100     1.100 peak  2800 weight  0.10000E+01 volume  0.61418E-02 ppm1      1.560 ppm2      0.460 CV     1
 ASSI { 2796}
   (( segid "SH2 " and resid 103  and name HB  ))
   (( segid "SH2 " and resid 104  and name HN  ))
      3.000     1.600     1.600 peak  2796 weight  0.10000E+01 volume  0.18981E-02 ppm1      1.560 ppm2      7.540 CV     1
 ASSI { 1426}
   (( segid "SH2 " and resid 112  and name HB  ))
   (  segid "SH2 " and resid 112  and name HG2%)
      2.300     1.100     1.100 peak  1426 weight  0.10000E+01 volume  0.55352E-02 ppm1      1.590 ppm2      0.910 CV     1
 ASSI { 1793}
   (  segid "SH2 " and resid 59   and name HD1%)
   (( segid "SH2 " and resid 46   and name HA  ))
      3.900     1.900     1.900 peak  1793 weight  0.10000E+01 volume  0.93010E-03 ppm1      0.720 ppm2      5.150 CV     1
 ASSI {  856}
   (( segid "SH2 " and resid 105  and name HB2 ))
   (  segid "SH2 " and resid 105  and name HD% )
      3.200     1.700     1.700 peak   856 weight  0.10000E+01 volume  0.13446E-02 ppm1      2.500 ppm2      6.840 CV     1
 ASSI { 1976}
   (( segid "SH2 " and resid 105  and name HB1 ))
   (( segid "SH2 " and resid 105  and name HA  ))
      2.900     1.500     1.500 peak  1976 weight  0.10000E+01 volume  0.19285E-02 ppm1      2.770 ppm2      3.790 CV     1
 ASSI { 1978}
   (( segid "SH2 " and resid 57   and name HB1 ))
   (( segid "SH2 " and resid 57   and name HA  ))
      3.000     1.900     1.900 peak  1978 weight  0.10000E+01 volume  0.10160E-02 ppm1      2.950 ppm2      4.890 CV     1
 ASSI { 1971}
   (( segid "SH2 " and resid 57   and name HB2 ))
   (( segid "SH2 " and resid 46   and name HB2 ))
      2.600     1.900     1.900 peak  1971 weight  0.10000E+01 volume  0.10565E-02 ppm1      2.820 ppm2      1.220 CV     1
 ASSI { 1972}
   (( segid "SH2 " and resid 57   and name HB1 ))
   (  segid "SH2 " and resid 86   and name HD1%)
      3.300     2.100     2.100 peak  1972 weight  0.10000E+01 volume  0.76328E-03 ppm1      2.970 ppm2      0.490 CV     1
 ASSI { 1979}
   (( segid "SH2 " and resid 57   and name HB2 ))
   (  segid "SH2 " and resid 57   and name HD% )
      2.900     1.600     1.600 peak  1979 weight  0.10000E+01 volume  0.18122E-02 ppm1      2.820 ppm2      6.720 CV     1
 ASSI { 2002}
   (  segid "SH2 " and resid 59   and name HD1%)
   (( segid "SH2 " and resid 45   and name HB  ))
      3.500     3.500     2.500 peak  2002 weight  0.10000E+01 volume  0.23329E-02 ppm1      0.720 ppm2      2.010 CV     1
 ASSI {  375}
   (( segid "SH2 " and resid 31   and name HA  ))
   (( segid "SH2 " and resid 31   and name HB  ))
      2.800     1.600     1.600 peak   375 weight  0.10000E+01 volume  0.17389E-02 ppm1      5.300 ppm2      2.130 CV     1
 ASSI { 3128}
   (  segid "SH2 " and resid 59   and name HD1%)
   (  segid "SH2 " and resid 44   and name HD% )
      4.100     1.700     1.700 peak  3128 weight  0.10000E+01 volume  0.13143E-02 ppm1      0.720 ppm2      7.030 CV     1
 ASSI { 2003}
   (  segid "SH2 " and resid 59   and name HD1%)
   (( segid "SH2 " and resid 59   and name HB  ))
      2.000     0.900     0.900 peak  2003 weight  0.10000E+01 volume  0.11146E-01 ppm1      0.720 ppm2      1.700 CV     1
 ASSI { 3124}
   (( segid "SH2 " and resid 31   and name HA  ))
   (  segid "SH2 " and resid 32   and name HE% )
      3.900     1.900     1.900 peak  3124 weight  0.10000E+01 volume  0.90735E-03 ppm1      5.300 ppm2      7.600 CV     1
 ASSI { 2007}
   (  segid "SH2 " and resid 59   and name HD1%)
   (( segid "SH2 " and resid 45   and name HA  ))
      2.900     1.700     1.700 peak  2007 weight  0.10000E+01 volume  0.13345E-02 ppm1      0.720 ppm2      4.790 CV     1
 ASSI {  372}
   (( segid "SH2 " and resid 31   and name HA  ))
   (( segid "SH2 " and resid 113  and name HN  ))
      2.700     1.400     1.400 peak   372 weight  0.10000E+01 volume  0.24213E-02 ppm1      5.300 ppm2      7.200 CV     1
 ASSI { 2011}
   (  segid "SH2 " and resid 59   and name HD1%)
   (( segid "SH2 " and resid 59   and name HN  ))
      3.100     1.700     1.700 peak  2011 weight  0.10000E+01 volume  0.13017E-02 ppm1      0.710 ppm2      8.810 CV     1
 ASSI {  370}
   (( segid "SH2 " and resid 31   and name HA  ))
   (( segid "SH2 " and resid 32   and name HN  ))
      2.200     1.000     1.000 peak   370 weight  0.10000E+01 volume  0.70011E-02 ppm1      5.300 ppm2      7.880 CV     1
 ASSI { 2005}
   (  segid "SH2 " and resid 59   and name HD1%)
   (( segid "SH2 " and resid 58   and name HA  ))
      4.000     2.100     2.000 peak  2005 weight  0.10000E+01 volume  0.67232E-03 ppm1      0.720 ppm2      4.320 CV     1
 ASSI { 2006}
   (  segid "SH2 " and resid 59   and name HD1%)
   (( segid "SH2 " and resid 59   and name HA  ))
      3.100     1.500     1.500 peak  2006 weight  0.10000E+01 volume  0.20245E-02 ppm1      0.720 ppm2      4.490 CV     1
 ASSI { 3126}
   (( segid "SH2 " and resid 31   and name HA  ))
   (( segid "SH2 " and resid 112  and name HB  ))
      3.600     1.900     1.900 peak  3126 weight  0.10000E+01 volume  0.96803E-03 ppm1      5.310 ppm2      1.590 CV     1
 ASSI { 3127}
   (( segid "SH2 " and resid 31   and name HA  ))
   (  segid "SH2 " and resid 24   and name HD2%)
      4.100     2.000     1.900 peak  3127 weight  0.10000E+01 volume  0.86693E-03 ppm1      5.290 ppm2      0.530 CV     1
 ASSI { 1989}
   (( segid "SH2 " and resid 37   and name HB1 ))
   (  segid "SH2 " and resid 45   and name HG2%)
      3.700     1.500     1.500 peak  1989 weight  0.10000E+01 volume  0.19942E-02 ppm1      3.250 ppm2      0.900 CV     1
 ASSI { 2027}
   (( segid "SH2 " and resid 37   and name HB1 ))
   (( segid "SH2 " and resid 37   and name HA  ))
      3.100     1.600     1.600 peak  2027 weight  0.10000E+01 volume  0.17996E-02 ppm1      3.250 ppm2      4.460 CV     1
 ASSI { 2025}
   (( segid "SH2 " and resid 57   and name HB2 ))
   (( segid "SH2 " and resid 57   and name HA  ))
      3.500     1.900     1.900 peak  2025 weight  0.10000E+01 volume  0.97561E-03 ppm1      2.820 ppm2      4.880 CV     1
 ASSI { 2015}
   (( segid "SH2 " and resid 57   and name HB1 ))
   (  segid "SH2 " and resid 57   and name HD% )
      2.900     1.700     1.700 peak  2015 weight  0.10000E+01 volume  0.13624E-02 ppm1      2.960 ppm2      6.710 CV     1
 ASSI { 2021}
   (( segid "SH2 " and resid 58   and name HB  ))
   (( segid "SH2 " and resid 58   and name HA  ))
      2.700     1.600     1.600 peak  2021 weight  0.10000E+01 volume  0.15948E-02 ppm1      1.160 ppm2      4.310 CV     1
 ASSI { 1985}
   (( segid "SH2 " and resid 57   and name HB2 ))
   (  segid "SH2 " and resid 86   and name HD1%)
      3.600     1.800     1.800 peak  1985 weight  0.10000E+01 volume  0.11702E-02 ppm1      2.830 ppm2      0.470 CV     1
 ASSI { 3122}
   (( segid "SH2 " and resid 106  and name HB1 ))
   (( segid "SH2 " and resid 106  and name HB2 ))
      2.200     1.600     1.600 peak  3122 weight  0.10000E+01 volume  0.17768E-02 ppm1      1.670 ppm2      1.240 CV     1
 ASSI { 3381}
   (( segid "SH2 " and resid 64   and name HA  ))
   (( segid "SH2 " and resid 64   and name HD1 ))
      3.200     1.600     1.600 peak  3381 weight  0.10000E+01 volume  0.18400E-02 ppm1      4.400 ppm2      3.580 CV     1
 OR { 3381}
   (( segid "SH2 " and resid 64   and name HA  ))
   (( segid "SH2 " and resid 64   and name HD2 ))
 ASSI { 2042}
   (( segid "SH2 " and resid 40   and name HB2 ))
   (( segid "SH2 " and resid 40   and name HB1 ))
      2.000     1.100     1.100 peak  2042 weight  0.10000E+01 volume  0.55352E-02 ppm1      3.270 ppm2      4.130 CV     1
 ASSI {  538}
   (( segid "SH2 " and resid 40   and name HB2 ))
   (( segid "SH2 " and resid 40   and name HA  ))
      2.900     1.400     1.400 peak   538 weight  0.10000E+01 volume  0.23834E-02 ppm1      3.270 ppm2      4.880 CV     1
 ASSI {  537}
   (( segid "SH2 " and resid 100  and name HA  ))
   (( segid "SH2 " and resid 103  and name HN  ))
      3.000     1.800     1.800 peak   537 weight  0.10000E+01 volume  0.12865E-02 ppm1      4.130 ppm2      6.740 CV     1
 ASSI { 2049}
   (( segid "SH2 " and resid 100  and name HA  ))
   (( segid "SH2 " and resid 100  and name HN  ))
      2.600     1.300     1.300 peak  2049 weight  0.10000E+01 volume  0.36649E-02 ppm1      4.120 ppm2      7.540 CV     1
 ASSI { 3129}
   (( segid "SH2 " and resid 11   and name HB1 ))
   (( segid "SH2 " and resid 10   and name HZ3 ))
      4.100     1.800     1.800 peak  3129 weight  0.10000E+01 volume  0.11829E-02 ppm1      2.440 ppm2      6.760 CV     1
 OR { 3129}
   (( segid "SH2 " and resid 11   and name HB1 ))
   (( segid "SH2 " and resid 10   and name HN  ))
 ASSI {   76}
   (( segid "SH2 " and resid 11   and name HB2 ))
   (( segid "SH2 " and resid 11   and name HA  ))
      2.700     1.700     1.700 peak    76 weight  0.10000E+01 volume  0.15115E-02 ppm1      2.470 ppm2      5.680 CV     1
 ASSI {   73}
   (( segid "SH2 " and resid 11   and name HB2 ))
   (( segid "SH2 " and resid 12   and name HN  ))
      4.700     2.200     1.300 peak    73 weight  0.10000E+01 volume  0.63190E-03 ppm1      2.490 ppm2     -0.670 CV     1
 ASSI {  822}
   (( segid "SH2 " and resid 79   and name HA  ))
   (( segid "SH2 " and resid 79   and name HB  ))
      2.600     1.200     1.200 peak   822 weight  0.10000E+01 volume  0.40187E-02 ppm1      4.150 ppm2      2.030 CV     1
 ASSI {  818}
   (( segid "SH2 " and resid 79   and name HA  ))
   (( segid "SH2 " and resid 80   and name HN  ))
      2.600     1.200     1.200 peak   818 weight  0.10000E+01 volume  0.40187E-02 ppm1      4.150 ppm2      8.440 CV     1
 ASSI {  819}
   (( segid "SH2 " and resid 79   and name HA  ))
   (( segid "SH2 " and resid 79   and name HN  ))
      3.100     1.700     1.700 peak   819 weight  0.10000E+01 volume  0.12991E-02 ppm1      4.140 ppm2      7.810 CV     1
 ASSI { 2056}
   (( segid "SH2 " and resid 79   and name HA  ))
   (  segid "SH2 " and resid 79   and name HG2%)
      2.600     1.100     1.100 peak  2056 weight  0.10000E+01 volume  0.58893E-02 ppm1      4.150 ppm2      0.880 CV     1
 OR { 2056}
   (( segid "SH2 " and resid 79   and name HA  ))
   (  segid "SH2 " and resid 79   and name HG1%)
 ASSI {   72}
   (( segid "SH2 " and resid 11   and name HB1 ))
   (( segid "SH2 " and resid 12   and name HN  ))
      4.400     2.000     1.600 peak    72 weight  0.10000E+01 volume  0.85176E-03 ppm1      2.420 ppm2     -0.670 CV     1
 ASSI {  950}
   (( segid "SH2 " and resid 115  and name HA  ))
   (( segid "SH2 " and resid 115  and name HB  ))
      2.400     1.200     1.200 peak   950 weight  0.10000E+01 volume  0.44990E-02 ppm1      3.910 ppm2      1.650 CV     1
 ASSI {  949}
   (( segid "SH2 " and resid 115  and name HA  ))
   (( segid "SH2 " and resid 115  and name HN  ))
      2.000     0.900     0.900 peak   949 weight  0.10000E+01 volume  0.12840E-01 ppm1      3.910 ppm2      8.260 CV     1
 ASSI { 2055}
   (( segid "SH2 " and resid 52   and name HB1 ))
   (( segid "SH2 " and resid 53   and name HG2 ))
      3.800     2.100     2.100 peak  2055 weight  0.10000E+01 volume  0.66218E-03 ppm1      4.150 ppm2      1.660 CV     1
 OR { 2055}
   (( segid "SH2 " and resid 52   and name HB2 ))
   (( segid "SH2 " and resid 53   and name HG2 ))
 OR { 2055}
   (( segid "SH2 " and resid 52   and name HB1 ))
   (( segid "SH2 " and resid 53   and name HG1 ))
 OR { 2055}
   (( segid "SH2 " and resid 52   and name HB2 ))
   (( segid "SH2 " and resid 53   and name HG1 ))
 ASSI { 1118}
   (( segid "SH2 " and resid 101  and name HA  ))
   (( segid "SH2 " and resid 46   and name HG  ))
      3.900     1.800     1.800 peak  1118 weight  0.10000E+01 volume  0.11829E-02 ppm1      4.900 ppm2      1.920 CV     1
 ASSI {  939}
   (( segid "SH2 " and resid 112  and name HA  ))
   (( segid "SH2 " and resid 112  and name HB  ))
      2.500     1.200     1.200 peak   939 weight  0.10000E+01 volume  0.50045E-02 ppm1      4.380 ppm2      1.590 CV     1
 ASSI { 1117}
   (( segid "SH2 " and resid 101  and name HA  ))
   (( segid "SH2 " and resid 104  and name HB2 ))
      3.300     1.500     1.500 peak  1117 weight  0.10000E+01 volume  0.20169E-02 ppm1      4.900 ppm2      2.040 CV     1
 ASSI { 1115}
   (( segid "SH2 " and resid 101  and name HA  ))
   (( segid "SH2 " and resid 104  and name HB1 ))
      3.000     1.800     1.800 peak  1115 weight  0.10000E+01 volume  0.12435E-02 ppm1      4.910 ppm2      3.000 CV     1
 ASSI { 1116}
   (( segid "SH2 " and resid 101  and name HA  ))
   (( segid "SH2 " and resid 101  and name HB2 ))
      3.100     1.500     1.500 peak  1116 weight  0.10000E+01 volume  0.20776E-02 ppm1      4.920 ppm2      2.170 CV     1
 ASSI { 1124}
   (( segid "SH2 " and resid 101  and name HA  ))
   (( segid "SH2 " and resid 102  and name HN  ))
      3.200     1.700     1.700 peak  1124 weight  0.10000E+01 volume  0.13244E-02 ppm1      4.900 ppm2      7.320 CV     1
 ASSI { 1123}
   (( segid "SH2 " and resid 101  and name HA  ))
   (( segid "SH2 " and resid 104  and name HN  ))
      2.800     1.400     1.400 peak  1123 weight  0.10000E+01 volume  0.27802E-02 ppm1      4.920 ppm2      7.530 CV     1
 ASSI { 1114}
   (( segid "SH2 " and resid 101  and name HA  ))
   (( segid "SH2 " and resid 101  and name HB1 ))
      2.600     1.400     1.400 peak  1114 weight  0.10000E+01 volume  0.25174E-02 ppm1      4.920 ppm2      3.310 CV     1
 ASSI {  735}
   (  segid "SH2 " and resid 86   and name HD1%)
   (( segid "SH2 " and resid 87   and name HN  ))
      2.800     1.500     1.500 peak   735 weight  0.10000E+01 volume  0.22747E-02 ppm1      0.470 ppm2     -0.670 CV     1
 ASSI { 3142}
   (  segid "SH2 " and resid 86   and name HD1%)
   (( segid "SH2 " and resid 59   and name HB  ))
      3.500     1.400     1.400 peak  3142 weight  0.10000E+01 volume  0.27297E-02 ppm1      0.460 ppm2      1.690 CV     1
 ASSI {  738}
   (  segid "SH2 " and resid 86   and name HD1%)
   (( segid "SH2 " and resid 86   and name HB  ))
      2.200     0.900     0.900 peak   738 weight  0.10000E+01 volume  0.99078E-02 ppm1      0.470 ppm2      1.860 CV     1
 ASSI { 3140}
   (  segid "SH2 " and resid 86   and name HD1%)
   (( segid "PEP " and resid 224  and name HD2 ))
      3.000     1.700     1.700 peak  3140 weight  0.10000E+01 volume  0.13295E-02 ppm1      0.460 ppm2      3.660 CV     1
 ASSI { 3139}
   (  segid "SH2 " and resid 86   and name HD1%)
   (( segid "PEP " and resid 224  and name HD1 ))
      2.800     1.400     1.400 peak  3139 weight  0.10000E+01 volume  0.25528E-02 ppm1      0.470 ppm2      3.820 CV     1
 ASSI { 3141}
   (  segid "SH2 " and resid 86   and name HD1%)
   (( segid "PEP " and resid 224  and name HG2 ))
      2.600     1.200     1.200 peak  3141 weight  0.10000E+01 volume  0.40693E-02 ppm1      0.470 ppm2      2.030 CV     1
 OR { 3141}
   (  segid "SH2 " and resid 86   and name HD1%)
   (( segid "PEP " and resid 224  and name HG1 ))
 ASSI { 2062}
   (  segid "SH2 " and resid 58   and name HD1%)
   (( segid "SH2 " and resid 43   and name HA  ))
      4.100     1.800     1.800 peak  2062 weight  0.10000E+01 volume  0.11222E-02 ppm1      0.390 ppm2      5.070 CV     1
 ASSI {  715}
   (  segid "SH2 " and resid 58   and name HD1%)
   (( segid "SH2 " and resid 43   and name HB1 ))
      2.600     1.200     1.200 peak   715 weight  0.10000E+01 volume  0.41198E-02 ppm1      0.390 ppm2      2.970 CV     1
 ASSI { 1159}
   (  segid "SH2 " and resid 58   and name HD1%)
   (( segid "SH2 " and resid 37   and name HB1 ))
      3.000     1.300     1.300 peak  1159 weight  0.10000E+01 volume  0.32099E-02 ppm1      0.390 ppm2      3.260 CV     1
 ASSI {  740}
   (  segid "SH2 " and resid 58   and name HD1%)
   (  segid "SH2 " and resid 58   and name HG2%)
      2.800     0.900     0.900 peak   740 weight  0.10000E+01 volume  0.10969E-01 ppm1      0.390 ppm2      0.980 CV     1
 ASSI { 2548}
   (  segid "SH2 " and resid 58   and name HD1%)
   (( segid "SH2 " and resid 43   and name HN  ))
      4.300     1.900     1.700 peak  2548 weight  0.10000E+01 volume  0.94782E-03 ppm1      0.390 ppm2      7.770 CV     1
 ASSI { 3138}
   (  segid "SH2 " and resid 58   and name HD1%)
   (( segid "SH2 " and resid 40   and name HB1 ))
      2.900     1.400     1.400 peak  3138 weight  0.10000E+01 volume  0.24340E-02 ppm1      0.390 ppm2      4.120 CV     1
 ASSI {  714}
   (  segid "SH2 " and resid 58   and name HD1%)
   (( segid "SH2 " and resid 43   and name HB2 ))
      3.100     1.400     1.400 peak   714 weight  0.10000E+01 volume  0.27044E-02 ppm1      0.390 ppm2      2.760 CV     1
 ASSI {  711}
   (  segid "SH2 " and resid 58   and name HD1%)
   (( segid "SH2 " and resid 58   and name HA  ))
      2.700     1.200     1.200 peak   711 weight  0.10000E+01 volume  0.46506E-02 ppm1      0.390 ppm2      4.310 CV     1
 ASSI {  705}
   (  segid "SH2 " and resid 58   and name HD1%)
   (( segid "SH2 " and resid 59   and name HN  ))
      3.400     1.300     1.300 peak   705 weight  0.10000E+01 volume  0.33868E-02 ppm1      0.390 ppm2      8.820 CV     1
 ASSI { 2063}
   (( segid "SH2 " and resid 90   and name HG1 ))
   (( segid "SH2 " and resid 91   and name HN  ))
      4.500     1.900     1.500 peak  2063 weight  0.10000E+01 volume  0.97561E-03 ppm1      1.990 ppm2      8.980 CV     1
 ASSI { 2064}
   (( segid "SH2 " and resid 90   and name HG2 ))
   (( segid "SH2 " and resid 91   and name HN  ))
      4.300     1.900     1.700 peak  2064 weight  0.10000E+01 volume  0.96803E-03 ppm1      1.910 ppm2      8.990 CV     1
 ASSI { 2065}
   (( segid "SH2 " and resid 90   and name HG2 ))
   (( segid "SH2 " and resid 90   and name HN  ))
      4.100     1.800     1.800 peak  2065 weight  0.10000E+01 volume  0.11020E-02 ppm1      1.930 ppm2      7.650 CV     1
 ASSI { 2076}
   (( segid "SH2 " and resid 90   and name HG2 ))
   (( segid "SH2 " and resid 90   and name HA  ))
      3.300     1.700     1.700 peak  2076 weight  0.10000E+01 volume  0.15039E-02 ppm1      1.910 ppm2      5.170 CV     1
 ASSI {  465}
   (( segid "SH2 " and resid 34   and name HA  ))
   (  segid "SH2 " and resid 46   and name HD1%)
      3.400     1.600     1.600 peak   465 weight  0.10000E+01 volume  0.17894E-02 ppm1      5.810 ppm2      0.610 CV     1
 ASSI {  913}
   (( segid "SH2 " and resid 109  and name HA  ))
   (  segid "SH2 " and resid 109  and name HG2%)
      3.500     1.500     1.500 peak   913 weight  0.10000E+01 volume  0.20397E-02 ppm1      5.150 ppm2      1.220 CV     1
 ASSI {  459}
   (( segid "SH2 " and resid 34   and name HA  ))
   (( segid "SH2 " and resid 46   and name HA  ))
      2.600     1.500     1.500 peak   459 weight  0.10000E+01 volume  0.23278E-02 ppm1      5.810 ppm2      5.150 CV     1
 ASSI {  462}
   (( segid "SH2 " and resid 34   and name HA  ))
   (( segid "SH2 " and resid 34   and name HB  ))
      2.900     1.800     1.800 peak   462 weight  0.10000E+01 volume  0.10868E-02 ppm1      5.810 ppm2      2.690 CV     1
 ASSI {  583}
   (  segid "SH2 " and resid 11   and name HD% )
   (( segid "SH2 " and resid 12   and name HN  ))
      3.400     1.900     1.900 peak   583 weight  0.10000E+01 volume  0.97307E-03 ppm1      7.070 ppm2     -0.680 CV     1
 ASSI {  909}
   (( segid "SH2 " and resid 109  and name HA  ))
   (( segid "SH2 " and resid 110  and name HN  ))
      2.300     1.000     1.000 peak   909 weight  0.10000E+01 volume  0.71273E-02 ppm1      5.150 ppm2      7.230 CV     1
 ASSI {  912}
   (( segid "SH2 " and resid 109  and name HA  ))
   (( segid "SH2 " and resid 109  and name HB  ))
      2.500     1.200     1.200 peak   912 weight  0.10000E+01 volume  0.45242E-02 ppm1      5.140 ppm2      4.030 CV     1
 ASSI {  830}
   (( segid "SH2 " and resid 103  and name HA  ))
   (( segid "SH2 " and resid 104  and name HN  ))
      3.200     1.700     1.700 peak   830 weight  0.10000E+01 volume  0.15342E-02 ppm1      4.080 ppm2      7.540 CV     1
 ASSI {  836}
   (( segid "SH2 " and resid 103  and name HA  ))
   (( segid "SH2 " and resid 103  and name HB  ))
      2.600     1.200     1.200 peak   836 weight  0.10000E+01 volume  0.43979E-02 ppm1      4.080 ppm2      1.560 CV     1
 ASSI {  834}
   (( segid "SH2 " and resid 103  and name HA  ))
   (  segid "SH2 " and resid 103  and name HD1%)
      3.600     1.600     1.600 peak   834 weight  0.10000E+01 volume  0.18729E-02 ppm1      4.080 ppm2      0.680 CV     1
 ASSI {  831}
   (( segid "SH2 " and resid 103  and name HA  ))
   (( segid "SH2 " and resid 103  and name HN  ))
      2.700     1.300     1.300 peak   831 weight  0.10000E+01 volume  0.30330E-02 ppm1      4.080 ppm2      6.750 CV     1
 ASSI { 1666}
   (( segid "SH2 " and resid 103  and name HA  ))
   (  segid "SH2 " and resid 110  and name HG2%)
      3.000     1.500     1.500 peak  1666 weight  0.10000E+01 volume  0.21206E-02 ppm1      4.090 ppm2      0.130 CV     1
 ASSI {  833}
   (( segid "SH2 " and resid 103  and name HA  ))
   (  segid "SH2 " and resid 103  and name HG2%)
      2.600     1.200     1.200 peak   833 weight  0.10000E+01 volume  0.47264E-02 ppm1      4.080 ppm2      0.460 CV     1
 ASSI {  573}
   (  segid "SH2 " and resid 11   and name HD% )
   (( segid "SH2 " and resid 12   and name HA  ))
      4.000     2.200     2.000 peak   573 weight  0.10000E+01 volume  0.65460E-03 ppm1      7.050 ppm2      4.170 CV     1
 ASSI {  466}
   (( segid "SH2 " and resid 34   and name HA  ))
   (( segid "SH2 " and resid 35   and name HN  ))
      2.200     1.200     1.200 peak   466 weight  0.10000E+01 volume  0.49792E-02 ppm1      5.810 ppm2     -0.410 CV     1
 ASSI {  574}
   (  segid "SH2 " and resid 11   and name HD% )
   (( segid "SH2 " and resid 13   and name HA1 ))
      4.000     2.100     2.000 peak   574 weight  0.10000E+01 volume  0.70266E-03 ppm1      7.050 ppm2      3.590 CV     1
 ASSI {  467}
   (( segid "SH2 " and resid 34   and name HA  ))
   (( segid "SH2 " and resid 34   and name HN  ))
      2.900     1.700     1.700 peak   467 weight  0.10000E+01 volume  0.14634E-02 ppm1      5.810 ppm2     -0.660 CV     1
 ASSI { 1276}
   (  segid "SH2 " and resid 11   and name HD% )
   (( segid "SH2 " and resid 10   and name HE3 ))
      3.800     1.500     1.500 peak  1276 weight  0.10000E+01 volume  0.20852E-02 ppm1      7.040 ppm2      7.450 CV     1
 ASSI { 1275}
   (  segid "SH2 " and resid 101  and name HD% )
   (( segid "SH2 " and resid 101  and name HA  ))
      2.900     1.500     1.500 peak  1275 weight  0.10000E+01 volume  0.23076E-02 ppm1      7.030 ppm2      4.900 CV     1
 ASSI {  576}
   (  segid "SH2 " and resid 11   and name HD% )
   (( segid "SH2 " and resid 11   and name HB2 ))
      2.800     1.200     1.200 peak   576 weight  0.10000E+01 volume  0.43220E-02 ppm1      7.050 ppm2      2.460 CV     1
 ASSI {  569}
   (  segid "SH2 " and resid 11   and name HD% )
   (( segid "SH2 " and resid 11   and name HA  ))
      2.500     1.400     1.400 peak   569 weight  0.10000E+01 volume  0.25275E-02 ppm1      7.050 ppm2      5.680 CV     1
 ASSI {  578}
   (  segid "SH2 " and resid 11   and name HD% )
   (  segid "SH2 " and resid 34   and name HG2%)
      3.000     1.200     1.200 peak   578 weight  0.10000E+01 volume  0.41704E-02 ppm1      7.050 ppm2      1.330 CV     1
 ASSI {  903}
   (( segid "SH2 " and resid 108  and name HA  ))
   (( segid "SH2 " and resid 108  and name HN  ))
      2.900     1.500     1.500 peak   903 weight  0.10000E+01 volume  0.20397E-02 ppm1      4.370 ppm2      8.470 CV     1
 ASSI { 3211}
   (( segid "SH2 " and resid 108  and name HA  ))
   (  segid "SH2 " and resid 105  and name HD% )
      3.500     3.500     2.500 peak  3211 weight  0.10000E+01 volume  0.12132E-02 ppm1      4.370 ppm2      6.840 CV     1
 ASSI {  210}
   (( segid "SH2 " and resid 17   and name HA  ))
   (( segid "SH2 " and resid 17   and name HB2 ))
      3.000     1.500     1.500 peak   210 weight  0.10000E+01 volume  0.23607E-02 ppm1      3.500 ppm2      1.240 CV     1
 ASSI {  212}
   (( segid "SH2 " and resid 17   and name HA  ))
   (( segid "SH2 " and resid 17   and name HB1 ))
      2.800     1.500     1.500 peak   212 weight  0.10000E+01 volume  0.21585E-02 ppm1      3.490 ppm2      1.570 CV     1
 ASSI {  213}
   (( segid "SH2 " and resid 17   and name HA  ))
   (( segid "SH2 " and resid 17   and name HG2 ))
      2.700     1.500     1.500 peak   213 weight  0.10000E+01 volume  0.22621E-02 ppm1      3.490 ppm2      2.020 CV     1
 OR {  213}
   (( segid "SH2 " and resid 17   and name HA  ))
   (( segid "SH2 " and resid 17   and name HG1 ))
 ASSI { 1626}
   (( segid "SH2 " and resid 38   and name HA  ))
   (( segid "SH2 " and resid 39   and name HN  ))
      3.400     1.800     1.800 peak  1626 weight  0.10000E+01 volume  0.11778E-02 ppm1      4.440 ppm2      7.450 CV     1
 ASSI { 2589}
   (( segid "SH2 " and resid 101  and name HB2 ))
   (  segid "SH2 " and resid 101  and name HD% )
      3.100     1.500     1.500 peak  2589 weight  0.10000E+01 volume  0.19916E-02 ppm1      2.170 ppm2      7.030 CV     1
 ASSI { 2084}
   (( segid "SH2 " and resid 101  and name HB1 ))
   (( segid "SH2 " and resid 101  and name HB2 ))
      2.000     1.200     1.200 peak  2084 weight  0.10000E+01 volume  0.42209E-02 ppm1      3.310 ppm2      2.170 CV     1
 ASSI { 1713}
   (( segid "SH2 " and resid 101  and name HB2 ))
   (( segid "SH2 " and resid 106  and name HB2 ))
      3.600     3.600     2.400 peak  1713 weight  0.10000E+01 volume  0.14483E-02 ppm1      2.170 ppm2      1.290 CV     1
 ASSI { 2538}
   (( segid "SH2 " and resid 48   and name HB  ))
   (  segid "SH2 " and resid 111  and name HD1%)
      3.700     1.800     1.800 peak  2538 weight  0.10000E+01 volume  0.11500E-02 ppm1      1.830 ppm2      0.280 CV     1
 ASSI { 2590}
   (( segid "SH2 " and resid 101  and name HB1 ))
   (  segid "SH2 " and resid 101  and name HD% )
      2.600     1.500     1.500 peak  2590 weight  0.10000E+01 volume  0.21180E-02 ppm1      3.310 ppm2      7.030 CV     1
 ASSI { 2082}
   (( segid "SH2 " and resid 101  and name HB1 ))
   (  segid "SH2 " and resid 111  and name HD2%)
      2.700     1.600     1.600 peak  2082 weight  0.10000E+01 volume  0.16403E-02 ppm1      3.310 ppm2     -0.010 CV     1
 ASSI { 2083}
   (( segid "SH2 " and resid 101  and name HB1 ))
   (( segid "SH2 " and resid 106  and name HB2 ))
      2.800     1.600     1.600 peak  2083 weight  0.10000E+01 volume  0.16075E-02 ppm1      3.310 ppm2      1.290 CV     1
 ASSI { 1715}
   (( segid "SH2 " and resid 101  and name HB2 ))
   (  segid "SH2 " and resid 111  and name HD2%)
      3.000     1.600     1.600 peak  1715 weight  0.10000E+01 volume  0.16252E-02 ppm1      2.170 ppm2     -0.020 CV     1
 ASSI { 1718}
   (( segid "SH2 " and resid 48   and name HB  ))
   (( segid "SH2 " and resid 32   and name HA  ))
      4.500     2.000     1.500 peak  1718 weight  0.10000E+01 volume  0.81383E-03 ppm1      1.840 ppm2      5.970 CV     1
 ASSI {  208}
   (( segid "SH2 " and resid 17   and name HA  ))
   (( segid "SH2 " and resid 17   and name HN  ))
      2.800     1.500     1.500 peak   208 weight  0.10000E+01 volume  0.21509E-02 ppm1      3.490 ppm2     -0.780 CV     1
 ASSI { 1714}
   (( segid "SH2 " and resid 101  and name HB2 ))
   (  segid "SH2 " and resid 106  and name HD1%)
      4.100     2.000     1.900 peak  1714 weight  0.10000E+01 volume  0.86438E-03 ppm1      2.180 ppm2      0.360 CV     1
 ASSI { 2735}
   (  segid "SH2 " and resid 57   and name HD% )
   (( segid "SH2 " and resid 46   and name HB2 ))
      3.700     2.000     2.000 peak  2735 weight  0.10000E+01 volume  0.88465E-03 ppm1      6.720 ppm2      1.240 CV     1
 ASSI { 2733}
   (  segid "SH2 " and resid 57   and name HD% )
   (  segid "SH2 " and resid 46   and name HD2%)
      4.300     1.800     1.700 peak  2733 weight  0.10000E+01 volume  0.11904E-02 ppm1      6.720 ppm2      0.370 CV     1
 ASSI { 2726}
   (  segid "SH2 " and resid 57   and name HD% )
   (( segid "PEP " and resid 224  and name HD1 ))
      2.600     1.500     1.500 peak  2726 weight  0.10000E+01 volume  0.19639E-02 ppm1      6.710 ppm2      3.820 CV     1
 ASSI { 2724}
   (  segid "SH2 " and resid 57   and name HD% )
   (( segid "SH2 " and resid 57   and name HA  ))
      3.300     1.800     1.800 peak  2724 weight  0.10000E+01 volume  0.12435E-02 ppm1      6.720 ppm2      4.900 CV     1
 ASSI { 2723}
   (  segid "SH2 " and resid 57   and name HD% )
   (  segid "SH2 " and resid 57   and name HE% )
      2.500     1.200     1.200 peak  2723 weight  0.10000E+01 volume  0.46759E-02 ppm1      6.730 ppm2      6.380 CV     1
 ASSI { 2773}
   (  segid "SH2 " and resid 105  and name HD% )
   (( segid "SH2 " and resid 105  and name HB1 ))
      3.400     2.000     2.000 peak  2773 weight  0.10000E+01 volume  0.87955E-03 ppm1      6.850 ppm2      2.740 CV     1
 ASSI { 2090}
   (( segid "SH2 " and resid 45   and name HB  ))
   (( segid "SH2 " and resid 35   and name HH12))
      3.900     2.100     2.100 peak  2090 weight  0.10000E+01 volume  0.68494E-03 ppm1      1.980 ppm2      5.820 CV     1
 ASSI {  598}
   (( segid "SH2 " and resid 45   and name HB  ))
   (( segid "SH2 " and resid 45   and name HA  ))
      3.200     2.000     2.000 peak   598 weight  0.10000E+01 volume  0.81893E-03 ppm1      1.960 ppm2      4.760 CV     1
 ASSI {  600}
   (( segid "SH2 " and resid 45   and name HB  ))
   (  segid "SH2 " and resid 45   and name HG2%)
      2.500     1.400     1.400 peak   600 weight  0.10000E+01 volume  0.29066E-02 ppm1      1.960 ppm2      0.890 CV     1
 ASSI { 2752}
   (  segid "SH2 " and resid 112  and name HD1%)
   (( segid "SH2 " and resid 28   and name HD2 ))
      2.900     1.600     1.600 peak  2752 weight  0.10000E+01 volume  0.15923E-02 ppm1      0.800 ppm2      3.140 CV     1
 OR { 2752}
   (  segid "SH2 " and resid 112  and name HD1%)
   (( segid "SH2 " and resid 28   and name HD1 ))
 ASSI { 3155}
   (  segid "SH2 " and resid 112  and name HD1%)
   (  segid "SH2 " and resid 109  and name HG2%)
      2.000     2.000     4.000 peak  3155 weight  0.10000E+01 volume  0.86948E-02 ppm1      0.810 ppm2      1.250 CV     1
 ASSI {  943}
   (  segid "SH2 " and resid 112  and name HD1%)
   (( segid "SH2 " and resid 112  and name HA  ))
      3.300     1.000     1.000 peak   943 weight  0.10000E+01 volume  0.72790E-02 ppm1      0.810 ppm2      4.380 CV     1
 ASSI { 2751}
   (  segid "SH2 " and resid 112  and name HD1%)
   (( segid "SH2 " and resid 30   and name HA1 ))
      2.400     1.300     1.300 peak  2751 weight  0.10000E+01 volume  0.38418E-02 ppm1      0.800 ppm2      4.730 CV     1
 ASSI { 2784}
   (  segid "SH2 " and resid 112  and name HD1%)
   (( segid "SH2 " and resid 28   and name HB1 ))
      3.400     3.400     2.600 peak  2784 weight  0.10000E+01 volume  0.22040E-02 ppm1      0.810 ppm2      1.770 CV     1
 ASSI {  944}
   (  segid "SH2 " and resid 112  and name HD1%)
   (( segid "SH2 " and resid 30   and name HA2 ))
      4.500     2.100     1.500 peak   944 weight  0.10000E+01 volume  0.71783E-03 ppm1      0.810 ppm2      3.580 CV     1
 ASSI { 2788}
   (  segid "SH2 " and resid 112  and name HD1%)
   (( segid "SH2 " and resid 112  and name HN  ))
      4.500     1.900     1.500 peak  2788 weight  0.10000E+01 volume  0.10388E-02 ppm1      0.810 ppm2     -0.920 CV     1
 ASSI {  647}
   (( segid "SH2 " and resid 48   and name HA  ))
   (( segid "SH2 " and resid 48   and name HN  ))
      3.000     1.800     1.800 peak   647 weight  0.10000E+01 volume  0.11778E-02 ppm1      4.980 ppm2      8.780 CV     1
 ASSI {  649}
   (( segid "SH2 " and resid 48   and name HA  ))
   (( segid "SH2 " and resid 32   and name HA  ))
      2.300     1.200     1.200 peak   649 weight  0.10000E+01 volume  0.40440E-02 ppm1      4.990 ppm2      5.980 CV     1
 ASSI { 2555}
   (( segid "SH2 " and resid 48   and name HA  ))
   (  segid "SH2 " and resid 24   and name HD2%)
      2.500     1.300     1.300 peak  2555 weight  0.10000E+01 volume  0.33110E-02 ppm1      4.990 ppm2      0.540 CV     1
 ASSI {  652}
   (( segid "SH2 " and resid 48   and name HA  ))
   (( segid "SH2 " and resid 32   and name HB1 ))
      3.200     1.900     1.900 peak   652 weight  0.10000E+01 volume  0.10287E-02 ppm1      4.990 ppm2      3.230 CV     1
 ASSI {  654}
   (( segid "SH2 " and resid 48   and name HA  ))
   (( segid "SH2 " and resid 48   and name HB  ))
      2.700     1.400     1.400 peak   654 weight  0.10000E+01 volume  0.27044E-02 ppm1      4.990 ppm2      1.830 CV     1
 ASSI { 2105}
   (( segid "SH2 " and resid 68   and name HA  ))
   (( segid "SH2 " and resid 68   and name HB  ))
      2.600     1.400     1.400 peak  2105 weight  0.10000E+01 volume  0.24315E-02 ppm1      4.430 ppm2      2.030 CV     1
 ASSI { 2104}
   (( segid "SH2 " and resid 68   and name HA  ))
   (  segid "SH2 " and resid 68   and name HG2%)
      2.600     1.400     1.400 peak  2104 weight  0.10000E+01 volume  0.28308E-02 ppm1      4.430 ppm2      0.920 CV     1
 OR { 2104}
   (( segid "SH2 " and resid 68   and name HA  ))
   (  segid "SH2 " and resid 68   and name HG1%)
 ASSI { 2100}
   (( segid "SH2 " and resid 18   and name HA  ))
   (( segid "SH2 " and resid 18   and name HB2 ))
      2.600     1.100     1.100 peak  2100 weight  0.10000E+01 volume  0.51561E-02 ppm1      3.940 ppm2      2.060 CV     1
 ASSI { 2099}
   (( segid "SH2 " and resid 18   and name HA  ))
   (( segid "SH2 " and resid 18   and name HG1 ))
      2.700     1.300     1.300 peak  2099 weight  0.10000E+01 volume  0.31594E-02 ppm1      3.940 ppm2      2.410 CV     1
 OR { 2099}
   (( segid "SH2 " and resid 18   and name HA  ))
   (( segid "SH2 " and resid 18   and name HG2 ))
 ASSI { 2101}
   (( segid "SH2 " and resid 18   and name HA  ))
   (( segid "SH2 " and resid 18   and name HB1 ))
      2.500     1.100     1.100 peak  2101 weight  0.10000E+01 volume  0.63439E-02 ppm1      3.940 ppm2      1.950 CV     1
 ASSI { 2103}
   (( segid "SH2 " and resid 18   and name HA  ))
   (  segid "SH2 " and resid 21   and name HG2%)
      2.900     2.900     3.100 peak  2103 weight  0.10000E+01 volume  0.23430E-02 ppm1      3.940 ppm2      0.980 CV     1
 ASSI {  226}
   (( segid "SH2 " and resid 18   and name HA  ))
   (( segid "SH2 " and resid 22   and name HN  ))
      3.000     1.500     1.500 peak   226 weight  0.10000E+01 volume  0.21964E-02 ppm1      3.950 ppm2      7.650 CV     1
 ASSI { 1686}
   (( segid "SH2 " and resid 105  and name HA  ))
   (( segid "SH2 " and resid 110  and name HA  ))
      3.000     1.600     1.600 peak  1686 weight  0.10000E+01 volume  0.18375E-02 ppm1      3.790 ppm2      4.670 CV     1
 ASSI { 1580}
   (( segid "SH2 " and resid 47   and name HA  ))
   (  segid "SH2 " and resid 45   and name HG1%)
      3.800     1.900     1.900 peak  1580 weight  0.10000E+01 volume  0.10641E-02 ppm1      5.750 ppm2      1.190 CV     1
 ASSI {  853}
   (( segid "SH2 " and resid 105  and name HA  ))
   (( segid "SH2 " and resid 105  and name HB2 ))
      3.100     1.400     1.400 peak   853 weight  0.10000E+01 volume  0.25780E-02 ppm1      3.790 ppm2      2.490 CV     1
 ASSI { 2757}
   (( segid "SH2 " and resid 105  and name HA  ))
   (( segid "SH2 " and resid 106  and name HN  ))
      2.300     1.100     1.100 peak  2757 weight  0.10000E+01 volume  0.66728E-02 ppm1      3.790 ppm2      7.890 CV     1
 ASSI {  224}
   (( segid "SH2 " and resid 19   and name HA  ))
   (( segid "SH2 " and resid 20   and name HN  ))
      3.200     1.600     1.600 peak   224 weight  0.10000E+01 volume  0.17794E-02 ppm1      3.950 ppm2      8.240 CV     1
 ASSI {  848}
   (( segid "SH2 " and resid 105  and name HA  ))
   (( segid "SH2 " and resid 105  and name HN  ))
      3.200     1.700     1.700 peak   848 weight  0.10000E+01 volume  0.14204E-02 ppm1      3.800 ppm2      8.110 CV     1
 ASSI {  222}
   (( segid "SH2 " and resid 19   and name HA  ))
   (  segid "SH2 " and resid 22   and name HB% )
      2.400     1.100     1.100 peak   222 weight  0.10000E+01 volume  0.64452E-02 ppm1      3.950 ppm2      1.440 CV     1
 ASSI {  227}
   (( segid "SH2 " and resid 19   and name HA  ))
   (( segid "SH2 " and resid 23   and name HN  ))
      3.700     2.100     2.100 peak   227 weight  0.10000E+01 volume  0.74307E-03 ppm1      3.950 ppm2      7.330 CV     1
 ASSI { 3159}
   (( segid "SH2 " and resid 105  and name HA  ))
   (  segid "SH2 " and resid 105  and name HD% )
      3.400     1.800     1.800 peak  3159 weight  0.10000E+01 volume  0.12739E-02 ppm1      3.800 ppm2      6.830 CV     1
 ASSI {  636}
   (( segid "SH2 " and resid 47   and name HA  ))
   (( segid "SH2 " and resid 48   and name HN  ))
      2.300     1.100     1.100 peak   636 weight  0.10000E+01 volume  0.55858E-02 ppm1      5.740 ppm2      8.780 CV     1
 ASSI {  698}
   (( segid "SH2 " and resid 58   and name HA  ))
   (( segid "SH2 " and resid 59   and name HN  ))
      2.100     1.100     1.100 peak   698 weight  0.10000E+01 volume  0.65715E-02 ppm1      4.310 ppm2      8.820 CV     1
 ASSI {  702}
   (( segid "SH2 " and resid 58   and name HA  ))
   (  segid "SH2 " and resid 58   and name HG2%)
      3.100     1.300     1.300 peak   702 weight  0.10000E+01 volume  0.33616E-02 ppm1      4.310 ppm2      0.980 CV     1
 ASSI { 2601}
   (( segid "SH2 " and resid 47   and name HA  ))
   (  segid "SH2 " and resid 24   and name HD2%)
      3.600     1.800     1.800 peak  2601 weight  0.10000E+01 volume  0.12132E-02 ppm1      5.740 ppm2      0.560 CV     1
 ASSI {  638}
   (( segid "SH2 " and resid 47   and name HA  ))
   (( segid "SH2 " and resid 56   and name HA  ))
      2.500     1.400     1.400 peak   638 weight  0.10000E+01 volume  0.29824E-02 ppm1      5.740 ppm2      4.930 CV     1
 ASSI { 1351}
   (( segid "SH2 " and resid 47   and name HA  ))
   (  segid "SH2 " and resid 54   and name HG1%)
      3.800     3.800     2.200 peak  1351 weight  0.10000E+01 volume  0.13850E-02 ppm1      5.740 ppm2      0.900 CV     1
 ASSI { 1186}
   (( segid "SH2 " and resid 47   and name HA  ))
   (  segid "SH2 " and resid 54   and name HG2%)
      3.400     1.700     1.700 peak  1186 weight  0.10000E+01 volume  0.13320E-02 ppm1      5.750 ppm2      0.380 CV     1
 ASSI { 1196}
   (( segid "SH2 " and resid 86   and name HA  ))
   (  segid "SH2 " and resid 86   and name HG2%)
      3.100     1.400     1.400 peak  1196 weight  0.10000E+01 volume  0.28561E-02 ppm1      4.830 ppm2      1.280 CV     1
 ASSI { 1187}
   (( segid "SH2 " and resid 47   and name HA  ))
   (( segid "SH2 " and resid 47   and name HB2 ))
      2.900     1.600     1.600 peak  1187 weight  0.10000E+01 volume  0.16050E-02 ppm1      5.750 ppm2      3.400 CV     1
 ASSI { 1184}
   (( segid "SH2 " and resid 47   and name HA  ))
   (( segid "SH2 " and resid 47   and name HB1 ))
      2.800     1.500     1.500 peak  1184 weight  0.10000E+01 volume  0.20321E-02 ppm1      5.740 ppm2      3.500 CV     1
 ASSI { 1194}
   (( segid "SH2 " and resid 99   and name HA  ))
   (( segid "SH2 " and resid 102  and name HD1 ))
      3.000     1.400     1.400 peak  1194 weight  0.10000E+01 volume  0.29066E-02 ppm1      3.680 ppm2      1.890 CV     1
 OR { 1194}
   (( segid "SH2 " and resid 99   and name HA  ))
   (( segid "SH2 " and resid 102  and name HD2 ))
 ASSI { 1193}
   (( segid "SH2 " and resid 99   and name HA  ))
   (( segid "SH2 " and resid 102  and name HG2 ))
      4.000     1.700     1.700 peak  1193 weight  0.10000E+01 volume  0.13269E-02 ppm1      3.680 ppm2      1.210 CV     1
 OR { 1193}
   (( segid "SH2 " and resid 99   and name HA  ))
   (( segid "SH2 " and resid 102  and name HG1 ))
 ASSI { 1191}
   (( segid "SH2 " and resid 99   and name HA  ))
   (( segid "SH2 " and resid 99   and name HB1 ))
      2.300     1.000     1.000 peak  1191 weight  0.10000E+01 volume  0.87451E-02 ppm1      3.680 ppm2      1.990 CV     1
 OR { 1191}
   (( segid "SH2 " and resid 99   and name HA  ))
   (( segid "SH2 " and resid 99   and name HB2 ))
 ASSI { 1192}
   (( segid "SH2 " and resid 99   and name HA  ))
   (( segid "SH2 " and resid 102  and name HB1 ))
      2.500     1.200     1.200 peak  1192 weight  0.10000E+01 volume  0.40693E-02 ppm1      3.680 ppm2      1.580 CV     1
 OR { 1192}
   (( segid "SH2 " and resid 99   and name HA  ))
   (( segid "SH2 " and resid 102  and name HB2 ))
 ASSI {  814}
   (( segid "SH2 " and resid 99   and name HA  ))
   (( segid "SH2 " and resid 99   and name HN  ))
      2.600     1.300     1.300 peak   814 weight  0.10000E+01 volume  0.33363E-02 ppm1      3.680 ppm2      7.780 CV     1
 ASSI {  700}
   (( segid "SH2 " and resid 58   and name HA  ))
   (( segid "SH2 " and resid 45   and name HA  ))
      2.800     1.500     1.500 peak   700 weight  0.10000E+01 volume  0.20927E-02 ppm1      4.330 ppm2      4.760 CV     1
 ASSI {  645}
   (( segid "SH2 " and resid 47   and name HA  ))
   (( segid "SH2 " and resid 47   and name HN  ))
      2.900     1.600     1.600 peak   645 weight  0.10000E+01 volume  0.17137E-02 ppm1      5.740 ppm2     -0.930 CV     1
 ASSI {  704}
   (( segid "SH2 " and resid 58   and name HA  ))
   (( segid "SH2 " and resid 46   and name HN  ))
      4.000     2.100     2.000 peak   704 weight  0.10000E+01 volume  0.66473E-03 ppm1      4.290 ppm2     -0.830 CV     1
 ASSI { 2109}
   (( segid "SH2 " and resid 35   and name HB2 ))
   (( segid "SH2 " and resid 35   and name HB1 ))
      2.100     1.500     1.500 peak  2109 weight  0.10000E+01 volume  0.20877E-02 ppm1      1.450 ppm2      2.410 CV     1
 ASSI {  520}
   (( segid "SH2 " and resid 35   and name HB2 ))
   (  segid "SH2 " and resid 33   and name HD2%)
      4.600     1.800     1.400 peak   520 weight  0.10000E+01 volume  0.12309E-02 ppm1      1.450 ppm2      0.630 CV     1
 ASSI {  514}
   (( segid "SH2 " and resid 35   and name HB1 ))
   (( segid "SH2 " and resid 36   and name HN  ))
      3.900     1.800     1.800 peak   514 weight  0.10000E+01 volume  0.12461E-02 ppm1      2.410 ppm2      9.000 CV     1
 ASSI { 2118}
   (( segid "SH2 " and resid 35   and name HB2 ))
   (( segid "SH2 " and resid 35   and name HG1 ))
      3.100     1.800     1.800 peak  2118 weight  0.10000E+01 volume  0.10944E-02 ppm1      1.460 ppm2      1.650 CV     1
 OR { 2118}
   (( segid "SH2 " and resid 35   and name HB2 ))
   (( segid "SH2 " and resid 35   and name HG2 ))
 ASSI {  519}
   (( segid "SH2 " and resid 35   and name HB2 ))
   (( segid "SH2 " and resid 35   and name HD2 ))
      3.000     2.100     2.100 peak   519 weight  0.10000E+01 volume  0.75066E-03 ppm1      1.450 ppm2      3.540 CV     1
 OR {  519}
   (( segid "SH2 " and resid 35   and name HB2 ))
   (( segid "SH2 " and resid 35   and name HD1 ))
 ASSI {  518}
   (( segid "SH2 " and resid 35   and name HB1 ))
   (( segid "SH2 " and resid 35   and name HD1 ))
      3.200     1.800     1.800 peak   518 weight  0.10000E+01 volume  0.12461E-02 ppm1      2.390 ppm2      3.560 CV     1
 OR {  518}
   (( segid "SH2 " and resid 35   and name HB1 ))
   (( segid "SH2 " and resid 35   and name HD2 ))
 ASSI { 2113}
   (( segid "SH2 " and resid 27   and name HG1 ))
   (  segid "SH2 " and resid 31   and name HG2%)
      2.700     1.200     1.200 peak  2113 weight  0.10000E+01 volume  0.40440E-02 ppm1      2.340 ppm2      0.930 CV     1
 OR { 2113}
   (( segid "SH2 " and resid 27   and name HG2 ))
   (  segid "SH2 " and resid 31   and name HG2%)
 ASSI { 2110}
   (( segid "SH2 " and resid 54   and name HB  ))
   (( segid "SH2 " and resid 54   and name HA  ))
      2.800     1.700     1.700 peak  2110 weight  0.10000E+01 volume  0.14028E-02 ppm1      1.910 ppm2      4.770 CV     1
 ASSI {  764}
   (( segid "SH2 " and resid 94   and name HA  ))
   (  segid "SH2 " and resid 94   and name HD1%)
      3.200     1.100     1.100 peak   764 weight  0.10000E+01 volume  0.53078E-02 ppm1      4.020 ppm2      0.580 CV     1
 ASSI {  767}
   (( segid "SH2 " and resid 94   and name HA  ))
   (( segid "SH2 " and resid 94   and name HB1 ))
      2.500     1.400     1.400 peak   767 weight  0.10000E+01 volume  0.29319E-02 ppm1      4.010 ppm2      1.170 CV     1
 OR {  767}
   (( segid "SH2 " and resid 94   and name HA  ))
   (( segid "SH2 " and resid 94   and name HB2 ))
 ASSI {  761}
   (( segid "SH2 " and resid 94   and name HA  ))
   (( segid "SH2 " and resid 97   and name HN  ))
      3.200     1.700     1.700 peak   761 weight  0.10000E+01 volume  0.14104E-02 ppm1      4.010 ppm2      7.000 CV     1
 ASSI {  763}
   (( segid "SH2 " and resid 94   and name HA  ))
   (  segid "SH2 " and resid 94   and name HD2%)
      2.900     1.800     1.800 peak   763 weight  0.10000E+01 volume  0.11904E-02 ppm1      4.030 ppm2      0.370 CV     1
 ASSI {  788}
   (( segid "SH2 " and resid 97   and name HA  ))
   (( segid "SH2 " and resid 97   and name HB2 ))
      2.800     1.500     1.500 peak   788 weight  0.10000E+01 volume  0.20195E-02 ppm1      1.950 ppm2      1.690 CV     1
 OR {  788}
   (( segid "SH2 " and resid 97   and name HA  ))
   (( segid "SH2 " and resid 97   and name HB1 ))
 ASSI {  783}
   (( segid "SH2 " and resid 97   and name HA  ))
   (( segid "SH2 " and resid 101  and name HN  ))
      3.500     1.900     1.900 peak   783 weight  0.10000E+01 volume  0.92761E-03 ppm1      1.950 ppm2      7.470 CV     1
 ASSI { 2125}
   (( segid "SH2 " and resid 97   and name HA  ))
   (( segid "SH2 " and resid 100  and name HB2 ))
      3.200     1.800     1.800 peak  2125 weight  0.10000E+01 volume  0.10969E-02 ppm1      1.940 ppm2      2.900 CV     1
 ASSI { 1660}
   (( segid "SH2 " and resid 94   and name HA  ))
   (( segid "SH2 " and resid 97   and name HB2 ))
      2.500     1.500     1.500 peak  1660 weight  0.10000E+01 volume  0.23000E-02 ppm1      4.020 ppm2      1.680 CV     1
 OR { 1660}
   (( segid "SH2 " and resid 94   and name HA  ))
   (( segid "SH2 " and resid 97   and name HB1 ))
 ASSI {  789}
   (( segid "SH2 " and resid 97   and name HA  ))
   (  segid "SH2 " and resid 97   and name HD1%)
      2.900     1.500     1.500 peak   789 weight  0.10000E+01 volume  0.22444E-02 ppm1      1.940 ppm2      0.700 CV     1
 ASSI { 1621}
   (( segid "SH2 " and resid 102  and name HA  ))
   (( segid "SH2 " and resid 111  and name HN  ))
      2.300     1.400     1.400 peak  1621 weight  0.10000E+01 volume  0.28561E-02 ppm1      4.550 ppm2      8.940 CV     1
 ASSI {  784}
   (( segid "SH2 " and resid 97   and name HA  ))
   (( segid "SH2 " and resid 97   and name HN  ))
      2.600     1.300     1.300 peak   784 weight  0.10000E+01 volume  0.36396E-02 ppm1      1.940 ppm2      6.990 CV     1
 ASSI {  790}
   (( segid "SH2 " and resid 97   and name HA  ))
   (  segid "SH2 " and resid 97   and name HD2%)
      2.800     1.600     1.600 peak   790 weight  0.10000E+01 volume  0.17692E-02 ppm1      1.940 ppm2      0.510 CV     1
 ASSI { 2463}
   (( segid "SH2 " and resid 102  and name HA  ))
   (( segid "SH2 " and resid 102  and name HB2 ))
      2.500     1.300     1.300 peak  2463 weight  0.10000E+01 volume  0.34374E-02 ppm1      4.550 ppm2      1.630 CV     1
 OR { 2463}
   (( segid "SH2 " and resid 102  and name HA  ))
   (( segid "SH2 " and resid 102  and name HB1 ))
 ASSI { 2684}
   (( segid "SH2 " and resid 16   and name HA  ))
   (( segid "SH2 " and resid 17   and name HB1 ))
      5.000     1.800     1.000 peak  2684 weight  0.10000E+01 volume  0.12284E-02 ppm1      4.380 ppm2      1.560 CV     1
 ASSI {  206}
   (( segid "SH2 " and resid 16   and name HA  ))
   (( segid "SH2 " and resid 16   and name HN  ))
      2.900     1.500     1.500 peak   206 weight  0.10000E+01 volume  0.21155E-02 ppm1      4.370 ppm2      8.940 CV     1
 ASSI { 2685}
   (( segid "SH2 " and resid 16   and name HA  ))
   (( segid "SH2 " and resid 17   and name HG1 ))
      4.600     2.200     1.400 peak  2685 weight  0.10000E+01 volume  0.61673E-03 ppm1      4.360 ppm2      2.060 CV     1
 OR { 2685}
   (( segid "SH2 " and resid 16   and name HA  ))
   (( segid "SH2 " and resid 17   and name HG2 ))
 ASSI { 2686}
   (( segid "SH2 " and resid 16   and name HA  ))
   (( segid "SH2 " and resid 17   and name HA  ))
      4.300     2.200     1.700 peak  2686 weight  0.10000E+01 volume  0.63190E-03 ppm1      4.380 ppm2      3.500 CV     1
 ASSI { 2127}
   (( segid "SH2 " and resid 54   and name HB  ))
   (  segid "SH2 " and resid 54   and name HG2%)
      2.400     1.200     1.200 peak  2127 weight  0.10000E+01 volume  0.40693E-02 ppm1      1.920 ppm2      0.370 CV     1
 ASSI {  534}
   (( segid "SH2 " and resid 37   and name HA  ))
   (( segid "SH2 " and resid 38   and name HN  ))
      2.700     1.600     1.600 peak   534 weight  0.10000E+01 volume  0.15898E-02 ppm1      4.460 ppm2      1.010 CV     1
 ASSI {  470}
   (( segid "SH2 " and resid 34   and name HB  ))
   (  segid "SH2 " and resid 59   and name HD1%)
      4.700     2.200     1.300 peak   470 weight  0.10000E+01 volume  0.62935E-03 ppm1      2.710 ppm2      0.690 CV     1
 ASSI {  977}
   (( segid "SH2 " and resid 34   and name HB  ))
   (( segid "SH2 " and resid 10   and name HZ3 ))
      3.900     1.800     1.800 peak   977 weight  0.10000E+01 volume  0.12688E-02 ppm1      2.710 ppm2      6.760 CV     1
 ASSI {  975}
   (( segid "SH2 " and resid 34   and name HB  ))
   (( segid "SH2 " and resid 10   and name HE3 ))
      3.300     1.400     1.400 peak   975 weight  0.10000E+01 volume  0.25098E-02 ppm1      2.700 ppm2      7.480 CV     1
 ASSI {  976}
   (( segid "SH2 " and resid 34   and name HB  ))
   (  segid "SH2 " and resid 44   and name HD% )
      4.400     1.700     1.600 peak   976 weight  0.10000E+01 volume  0.13396E-02 ppm1      2.700 ppm2      7.050 CV     1
 ASSI { 2129}
   (( segid "SH2 " and resid 85   and name HB1 ))
   (( segid "SH2 " and resid 85   and name HN  ))
      2.800     1.600     1.600 peak  2129 weight  0.10000E+01 volume  0.18046E-02 ppm1      1.850 ppm2      8.990 CV     1
 ASSI { 2134}
   (( segid "SH2 " and resid 85   and name HB1 ))
   (( segid "SH2 " and resid 85   and name HD2 ))
      2.900     1.700     1.700 peak  2134 weight  0.10000E+01 volume  0.15013E-02 ppm1      1.850 ppm2      3.140 CV     1
 OR { 2134}
   (( segid "SH2 " and resid 85   and name HB1 ))
   (( segid "SH2 " and resid 85   and name HD1 ))
 ASSI { 2128}
   (( segid "SH2 " and resid 85   and name HB1 ))
   (( segid "SH2 " and resid 85   and name HA  ))
      3.200     1.600     1.600 peak  2128 weight  0.10000E+01 volume  0.16201E-02 ppm1      1.860 ppm2      5.330 CV     1
 ASSI { 2136}
   (( segid "SH2 " and resid 85   and name HB2 ))
   (( segid "SH2 " and resid 60   and name HB2 ))
      4.700     2.200     1.300 peak  2136 weight  0.10000E+01 volume  0.61163E-03 ppm1      1.650 ppm2      2.870 CV     1
 ASSI { 2150}
   (( segid "SH2 " and resid 12   and name HA  ))
   (( segid "SH2 " and resid 12   and name HB2 ))
      3.000     1.400     1.400 peak  2150 weight  0.10000E+01 volume  0.26033E-02 ppm1      4.200 ppm2      2.620 CV     1
 ASSI {  340}
   (( segid "SH2 " and resid 25   and name HA  ))
   (( segid "SH2 " and resid 25   and name HB2 ))
      2.500     1.200     1.200 peak   340 weight  0.10000E+01 volume  0.47264E-02 ppm1      3.890 ppm2      2.140 CV     1
 OR {  340}
   (( segid "SH2 " and resid 25   and name HA  ))
   (( segid "SH2 " and resid 25   and name HB1 ))
 ASSI { 2153}
   (( segid "SH2 " and resid 12   and name HA  ))
   (( segid "SH2 " and resid 12   and name HB1 ))
      2.500     1.300     1.300 peak  2153 weight  0.10000E+01 volume  0.34121E-02 ppm1      4.210 ppm2      3.610 CV     1
 ASSI { 2157}
   (( segid "SH2 " and resid 25   and name HA  ))
   (( segid "SH2 " and resid 26   and name HN  ))
      2.200     1.000     1.000 peak  2157 weight  0.10000E+01 volume  0.69252E-02 ppm1      3.890 ppm2      8.950 CV     1
 ASSI { 2633}
   (( segid "SH2 " and resid 25   and name HA  ))
   (  segid "SH2 " and resid 54   and name HG1%)
      2.800     2.800     3.200 peak  2633 weight  0.10000E+01 volume  0.43726E-02 ppm1      3.890 ppm2      0.940 CV     1
 ASSI {  339}
   (( segid "SH2 " and resid 25   and name HA  ))
   (( segid "SH2 " and resid 25   and name HG1 ))
      3.200     1.700     1.700 peak   339 weight  0.10000E+01 volume  0.14710E-02 ppm1      3.890 ppm2      2.370 CV     1
 OR {  339}
   (( segid "SH2 " and resid 25   and name HA  ))
   (( segid "SH2 " and resid 25   and name HG2 ))
 ASSI {  338}
   (( segid "SH2 " and resid 25   and name HA  ))
   (( segid "SH2 " and resid 25   and name HE21))
      3.200     2.000     2.000 peak   338 weight  0.10000E+01 volume  0.86693E-03 ppm1      3.880 ppm2      7.360 CV     1
 ASSI { 2154}
   (( segid "SH2 " and resid 12   and name HA  ))
   (( segid "SH2 " and resid 12   and name HD1 ))
      3.400     1.900     1.900 peak  2154 weight  0.10000E+01 volume  0.10515E-02 ppm1      4.210 ppm2      7.450 CV     1
 ASSI { 2152}
   (( segid "SH2 " and resid 12   and name HA  ))
   (( segid "SH2 " and resid 13   and name HN  ))
      2.900     1.700     1.700 peak  2152 weight  0.10000E+01 volume  0.15190E-02 ppm1      4.210 ppm2      5.280 CV     1
 ASSI { 2155}
   (( segid "SH2 " and resid 12   and name HA  ))
   (( segid "SH2 " and resid 12   and name HE3 ))
      3.500     1.900     1.900 peak  2155 weight  0.10000E+01 volume  0.10363E-02 ppm1      4.210 ppm2      7.600 CV     1
 ASSI {  792}
   (( segid "SH2 " and resid 98   and name HA  ))
   (( segid "SH2 " and resid 101  and name HN  ))
      3.400     2.100     2.100 peak   792 weight  0.10000E+01 volume  0.69507E-03 ppm1      3.390 ppm2      7.410 CV     1
 ASSI {  795}
   (( segid "SH2 " and resid 98   and name HA  ))
   (( segid "SH2 " and resid 98   and name HB1 ))
      2.500     1.500     1.500 peak   795 weight  0.10000E+01 volume  0.20852E-02 ppm1      3.370 ppm2      1.470 CV     1
 ASSI {  796}
   (( segid "SH2 " and resid 98   and name HA  ))
   (( segid "SH2 " and resid 98   and name HB2 ))
      2.800     1.300     1.300 peak   796 weight  0.10000E+01 volume  0.31088E-02 ppm1      3.370 ppm2      0.690 CV     1
 ASSI {  791}
   (( segid "SH2 " and resid 98   and name HA  ))
   (( segid "SH2 " and resid 98   and name HN  ))
      2.700     1.500     1.500 peak   791 weight  0.10000E+01 volume  0.20574E-02 ppm1      3.370 ppm2      7.830 CV     1
 ASSI { 3165}
   (( segid "SH2 " and resid 85   and name HB2 ))
   (( segid "SH2 " and resid 85   and name HA  ))
      2.600     1.500     1.500 peak  3165 weight  0.10000E+01 volume  0.19892E-02 ppm1      1.650 ppm2      5.320 CV     1
 ASSI { 2144}
   (( segid "SH2 " and resid 85   and name HB2 ))
   (( segid "SH2 " and resid 85   and name HD2 ))
      3.300     1.600     1.600 peak  2144 weight  0.10000E+01 volume  0.18173E-02 ppm1      1.650 ppm2      3.110 CV     1
 OR { 2144}
   (( segid "SH2 " and resid 85   and name HB2 ))
   (( segid "SH2 " and resid 85   and name HD1 ))
 ASSI { 2151}
   (( segid "SH2 " and resid 12   and name HA  ))
   (( segid "SH2 " and resid 12   and name HN  ))
      2.900     1.600     1.600 peak  2151 weight  0.10000E+01 volume  0.18476E-02 ppm1      4.210 ppm2     -0.680 CV     1
 ASSI { 3164}
   (( segid "SH2 " and resid 85   and name HB2 ))
   (( segid "SH2 " and resid 90   and name HA  ))
      3.400     3.400     2.600 peak  3164 weight  0.10000E+01 volume  0.32099E-02 ppm1      1.650 ppm2      5.170 CV     1
 ASSI { 3162}
   (( segid "SH2 " and resid 90   and name HB2 ))
   (( segid "SH2 " and resid 89   and name HA  ))
      4.200     1.800     1.800 peak  3162 weight  0.10000E+01 volume  0.11348E-02 ppm1      1.640 ppm2      4.170 CV     1
 ASSI { 2176}
   (( segid "SH2 " and resid 98   and name HA  ))
   (( segid "SH2 " and resid 98   and name HG  ))
      2.900     1.500     1.500 peak  2176 weight  0.10000E+01 volume  0.19916E-02 ppm1      3.370 ppm2      1.210 CV     1
 ASSI {  101}
   (( segid "SH2 " and resid 50   and name HA  ))
   (( segid "SH2 " and resid 51   and name HN  ))
      2.700     1.300     1.300 peak   101 weight  0.10000E+01 volume  0.34374E-02 ppm1      4.170 ppm2      8.950 CV     1
 ASSI {  684}
   (( segid "SH2 " and resid 50   and name HA  ))
   (( segid "SH2 " and resid 29   and name HD2 ))
      3.000     1.600     1.600 peak   684 weight  0.10000E+01 volume  0.17541E-02 ppm1      4.170 ppm2      7.050 CV     1
 ASSI { 3191}
   (( segid "SH2 " and resid 50   and name HA  ))
   (  segid "SH2 " and resid 109  and name HG2%)
      3.000     1.600     1.600 peak  3191 weight  0.10000E+01 volume  0.18425E-02 ppm1      4.170 ppm2      1.220 CV     1
 ASSI { 3192}
   (( segid "SH2 " and resid 50   and name HA  ))
   (  segid "SH2 " and resid 48   and name HG1%)
      3.800     2.000     2.000 peak  3192 weight  0.10000E+01 volume  0.86693E-03 ppm1      4.170 ppm2      0.920 CV     1
 OR { 3192}
   (( segid "SH2 " and resid 50   and name HA  ))
   (  segid "SH2 " and resid 48   and name HG2%)
 ASSI { 3189}
   (( segid "SH2 " and resid 50   and name HA  ))
   (( segid "SH2 " and resid 50   and name HB2 ))
      2.400     1.000     1.000 peak  3189 weight  0.10000E+01 volume  0.79617E-02 ppm1      4.180 ppm2      1.980 CV     1
 ASSI {  300}
   (( segid "SH2 " and resid 23   and name HA  ))
   (  segid "SH2 " and resid 23   and name HD1%)
      4.200     1.600     1.600 peak   300 weight  0.10000E+01 volume  0.16581E-02 ppm1      4.020 ppm2      0.000 CV     1
 ASSI {  301}
   (( segid "SH2 " and resid 23   and name HA  ))
   (  segid "SH2 " and resid 23   and name HD2%)
      2.300     0.900     0.900 peak   301 weight  0.10000E+01 volume  0.97058E-02 ppm1      4.020 ppm2      0.670 CV     1
 ASSI { 1597}
   (( segid "SH2 " and resid 10   and name HD1 ))
   (( segid "SH2 " and resid 10   and name HA  ))
      4.500     2.000     1.500 peak  1597 weight  0.10000E+01 volume  0.78859E-03 ppm1      7.370 ppm2      5.070 CV     1
 ASSI { 2629}
   (( segid "SH2 " and resid 10   and name HD1 ))
   (( segid "SH2 " and resid 114  and name HB1 ))
      3.800     1.700     1.700 peak  2629 weight  0.10000E+01 volume  0.13977E-02 ppm1      7.360 ppm2      1.830 CV     1
 OR { 2629}
   (( segid "SH2 " and resid 10   and name HD1 ))
   (( segid "SH2 " and resid 114  and name HB2 ))
 ASSI { 2556}
   (( segid "SH2 " and resid 10   and name HD1 ))
   (( segid "SH2 " and resid 10   and name HB2 ))
      3.700     1.600     1.600 peak  2556 weight  0.10000E+01 volume  0.17187E-02 ppm1      7.370 ppm2      3.010 CV     1
 ASSI { 2505}
   (( segid "SH2 " and resid 10   and name HD1 ))
   (  segid "SH2 " and resid 98   and name HD1%)
      3.700     2.100     2.100 peak  2505 weight  0.10000E+01 volume  0.75570E-03 ppm1      7.370 ppm2     -0.450 CV     1
 ASSI {  155}
   (( segid "SH2 " and resid 14   and name HA  ))
   (( segid "SH2 " and resid 36   and name HB1 ))
      3.200     1.500     1.500 peak   155 weight  0.10000E+01 volume  0.19209E-02 ppm1      4.300 ppm2      2.770 CV     1
 ASSI {  559}
   (( segid "SH2 " and resid 44   and name HA  ))
   (( segid "SH2 " and resid 44   and name HB2 ))
      3.200     1.700     1.700 peak   559 weight  0.10000E+01 volume  0.13472E-02 ppm1      5.370 ppm2      2.660 CV     1
 ASSI {  558}
   (( segid "SH2 " and resid 44   and name HA  ))
   (( segid "SH2 " and resid 44   and name HB1 ))
      2.700     1.500     1.500 peak   558 weight  0.10000E+01 volume  0.20245E-02 ppm1      5.380 ppm2      3.160 CV     1
 ASSI { 1611}
   (( segid "SH2 " and resid 44   and name HA  ))
   (  segid "SH2 " and resid 45   and name HG2%)
      3.300     2.000     2.000 peak  1611 weight  0.10000E+01 volume  0.89223E-03 ppm1      5.380 ppm2      0.870 CV     1
 ASSI { 1401}
   (( segid "SH2 " and resid 14   and name HA  ))
   (( segid "SH2 " and resid 15   and name HB1 ))
      3.300     3.300     2.700 peak  1401 weight  0.10000E+01 volume  0.37912E-02 ppm1      4.300 ppm2      1.740 CV     1
 ASSI {  557}
   (( segid "SH2 " and resid 44   and name HA  ))
   (  segid "SH2 " and resid 44   and name HD% )
      2.800     1.500     1.500 peak   557 weight  0.10000E+01 volume  0.21560E-02 ppm1      5.380 ppm2      7.040 CV     1
 ASSI {  298}
   (( segid "SH2 " and resid 28   and name HA  ))
   (( segid "SH2 " and resid 28   and name HN  ))
      2.700     1.300     1.300 peak   298 weight  0.10000E+01 volume  0.31341E-02 ppm1      3.950 ppm2      8.860 CV     1
 ASSI {   66}
   (( segid "SH2 " and resid 11   and name HA  ))
   (( segid "SH2 " and resid 34   and name HB  ))
      3.900     1.600     1.600 peak    66 weight  0.10000E+01 volume  0.15746E-02 ppm1      5.670 ppm2      2.680 CV     1
 ASSI { 1803}
   (( segid "SH2 " and resid 68   and name HB  ))
   (  segid "SH2 " and resid 68   and name HG1%)
      2.300     1.000     1.000 peak  1803 weight  0.10000E+01 volume  0.69507E-02 ppm1      2.040 ppm2      0.890 CV     1
 OR { 1803}
   (( segid "SH2 " and resid 68   and name HB  ))
   (  segid "SH2 " and resid 68   and name HG2%)
 ASSI { 1362}
   (  segid "SH2 " and resid 100  and name HD% )
   (  segid "SH2 " and resid 100  and name HE% )
      2.500     1.200     1.200 peak  1362 weight  0.10000E+01 volume  0.43726E-02 ppm1      5.710 ppm2      6.880 CV     1
 ASSI { 1005}
   (  segid "SH2 " and resid 100  and name HD% )
   (( segid "SH2 " and resid 100  and name HB2 ))
      3.500     1.900     1.900 peak  1005 weight  0.10000E+01 volume  0.91244E-03 ppm1      5.710 ppm2      2.900 CV     1
 ASSI { 1006}
   (( segid "SH2 " and resid 11   and name HA  ))
   (( segid "SH2 " and resid 11   and name HB1 ))
      3.100     1.500     1.500 peak  1006 weight  0.10000E+01 volume  0.23076E-02 ppm1      5.670 ppm2      2.450 CV     1
 ASSI {  861}
   (( segid "SH2 " and resid 106  and name HA  ))
   (( segid "PEP " and resid 224  and name HB1 ))
      3.400     1.400     1.400 peak   861 weight  0.10000E+01 volume  0.29319E-02 ppm1      4.100 ppm2      2.300 CV     1
 OR {  861}
   (( segid "SH2 " and resid 106  and name HA  ))
   (( segid "PEP " and resid 224  and name HB2 ))
 ASSI { 1003}
   (( segid "SH2 " and resid 11   and name HA  ))
   (( segid "SH2 " and resid 10   and name HE3 ))
      2.600     1.500     1.500 peak  1003 weight  0.10000E+01 volume  0.20751E-02 ppm1      5.670 ppm2      7.460 CV     1
 ASSI {  864}
   (( segid "SH2 " and resid 106  and name HA  ))
   (( segid "SH2 " and resid 106  and name HB2 ))
      2.800     1.400     1.400 peak   864 weight  0.10000E+01 volume  0.25780E-02 ppm1      4.110 ppm2      1.240 CV     1
 ASSI {  858}
   (( segid "SH2 " and resid 106  and name HA  ))
   (( segid "SH2 " and resid 107  and name HN  ))
      3.700     1.900     1.900 peak   858 weight  0.10000E+01 volume  0.10540E-02 ppm1      4.120 ppm2      8.470 CV     1
 ASSI {  899}
   (( segid "SH2 " and resid 107  and name HA  ))
   (( segid "SH2 " and resid 107  and name HN  ))
      2.800     1.400     1.400 peak   899 weight  0.10000E+01 volume  0.25528E-02 ppm1      5.090 ppm2      8.460 CV     1
 ASSI {  902}
   (( segid "SH2 " and resid 107  and name HA  ))
   (( segid "SH2 " and resid 107  and name HB2 ))
      2.900     1.400     1.400 peak   902 weight  0.10000E+01 volume  0.24845E-02 ppm1      5.090 ppm2      2.790 CV     1
 ASSI {  901}
   (( segid "SH2 " and resid 107  and name HA  ))
   (( segid "SH2 " and resid 107  and name HB1 ))
      2.700     1.300     1.300 peak   901 weight  0.10000E+01 volume  0.36901E-02 ppm1      5.090 ppm2      2.920 CV     1
 ASSI { 3295}
   (( segid "SH2 " and resid 56   and name HB1 ))
   (( segid "SH2 " and resid 56   and name HD2 ))
      3.100     1.800     1.800 peak  3295 weight  0.10000E+01 volume  0.10969E-02 ppm1      3.060 ppm2      7.060 CV     1
 ASSI { 1008}
   (( segid "SH2 " and resid 11   and name HA  ))
   (( segid "SH2 " and resid 12   and name HN  ))
      2.200     1.200     1.200 peak  1008 weight  0.10000E+01 volume  0.50550E-02 ppm1      5.680 ppm2     -0.670 CV     1
 ASSI { 1337}
   (( segid "SH2 " and resid 56   and name HB2 ))
   (( segid "SH2 " and resid 56   and name HA  ))
      3.100     1.900     1.900 peak  1337 weight  0.10000E+01 volume  0.10540E-02 ppm1      2.730 ppm2      4.920 CV     1
 ASSI { 1338}
   (( segid "SH2 " and resid 56   and name HB2 ))
   (  segid "SH2 " and resid 45   and name HG1%)
      2.600     1.600     1.600 peak  1338 weight  0.10000E+01 volume  0.16681E-02 ppm1      2.720 ppm2      1.190 CV     1
 ASSI { 1336}
   (( segid "SH2 " and resid 56   and name HB1 ))
   (( segid "SH2 " and resid 56   and name HA  ))
      2.900     1.900     1.900 peak  1336 weight  0.10000E+01 volume  0.10262E-02 ppm1      3.050 ppm2      4.920 CV     1
 ASSI { 3171}
   (( segid "SH2 " and resid 56   and name HB2 ))
   (( segid "SH2 " and resid 56   and name HD2 ))
      3.700     1.700     1.700 peak  3171 weight  0.10000E+01 volume  0.13648E-02 ppm1      2.720 ppm2      7.060 CV     1
 ASSI { 2194}
   (( segid "SH2 " and resid 115  and name HB  ))
   (  segid "SH2 " and resid 115  and name HG1%)
      2.100     0.900     0.900 peak  2194 weight  0.10000E+01 volume  0.97307E-02 ppm1      1.660 ppm2      0.930 CV     1
 ASSI { 2195}
   (( segid "SH2 " and resid 115  and name HB  ))
   (  segid "SH2 " and resid 115  and name HG2%)
      2.300     1.200     1.200 peak  2195 weight  0.10000E+01 volume  0.47264E-02 ppm1      1.660 ppm2      0.820 CV     1
 ASSI { 2188}
   (( segid "SH2 " and resid 83   and name HB2 ))
   (( segid "SH2 " and resid 83   and name HN  ))
      2.400     1.100     1.100 peak  2188 weight  0.10000E+01 volume  0.58639E-02 ppm1      1.660 ppm2      8.250 CV     1
 OR { 2188}
   (( segid "SH2 " and resid 83   and name HB1 ))
   (( segid "SH2 " and resid 83   and name HN  ))
 ASSI { 2187}
   (( segid "SH2 " and resid 83   and name HB1 ))
   (( segid "SH2 " and resid 84   and name HN  ))
      3.500     1.800     1.800 peak  2187 weight  0.10000E+01 volume  0.12006E-02 ppm1      1.660 ppm2      8.700 CV     1
 OR { 2187}
   (( segid "SH2 " and resid 83   and name HB2 ))
   (( segid "SH2 " and resid 84   and name HN  ))
 ASSI { 2191}
   (( segid "SH2 " and resid 83   and name HB1 ))
   (( segid "SH2 " and resid 83   and name HA  ))
      2.900     1.500     1.500 peak  2191 weight  0.10000E+01 volume  0.22520E-02 ppm1      1.680 ppm2      4.570 CV     1
 OR { 2191}
   (( segid "SH2 " and resid 83   and name HB2 ))
   (( segid "SH2 " and resid 83   and name HA  ))
 ASSI { 2193}
   (( segid "SH2 " and resid 83   and name HB1 ))
   (( segid "SH2 " and resid 83   and name HD1 ))
      3.000     1.500     1.500 peak  2193 weight  0.10000E+01 volume  0.22116E-02 ppm1      1.670 ppm2      3.080 CV     1
 OR { 2193}
   (( segid "SH2 " and resid 83   and name HB2 ))
   (( segid "SH2 " and resid 83   and name HD2 ))
 OR { 2193}
   (( segid "SH2 " and resid 83   and name HB2 ))
   (( segid "SH2 " and resid 83   and name HD1 ))
 OR { 2193}
   (( segid "SH2 " and resid 83   and name HB1 ))
   (( segid "SH2 " and resid 83   and name HD2 ))
 ASSI { 3355}
   (( segid "SH2 " and resid 32   and name HA  ))
   (  segid "SH2 " and resid 111  and name HD1%)
      5.000     2.000     1.000 peak  3355 weight  0.10000E+01 volume  0.79362E-03 ppm1      5.970 ppm2      0.260 CV     1
 ASSI { 3354}
   (( segid "SH2 " and resid 32   and name HA  ))
   (( segid "SH2 " and resid 33   and name HG  ))
      3.800     2.100     2.100 peak  3354 weight  0.10000E+01 volume  0.69003E-03 ppm1      5.980 ppm2      1.630 CV     1
 ASSI {  415}
   (( segid "SH2 " and resid 32   and name HA  ))
   (( segid "SH2 " and resid 32   and name HB2 ))
      2.500     1.400     1.400 peak   415 weight  0.10000E+01 volume  0.28055E-02 ppm1      5.980 ppm2      2.660 CV     1
 ASSI {  418}
   (( segid "SH2 " and resid 32   and name HA  ))
   (  segid "SH2 " and resid 48   and name HG1%)
      3.300     1.400     1.400 peak   418 weight  0.10000E+01 volume  0.24163E-02 ppm1      5.970 ppm2      0.900 CV     1
 ASSI {  414}
   (( segid "SH2 " and resid 32   and name HA  ))
   (( segid "SH2 " and resid 32   and name HB1 ))
      2.500     1.300     1.300 peak   414 weight  0.10000E+01 volume  0.30835E-02 ppm1      5.980 ppm2      3.240 CV     1
 ASSI {  410}
   (( segid "SH2 " and resid 32   and name HA  ))
   (  segid "SH2 " and resid 32   and name HD% )
      4.000     2.000     2.000 peak   410 weight  0.10000E+01 volume  0.86693E-03 ppm1      5.970 ppm2      6.730 CV     1
 ASSI {  407}
   (( segid "SH2 " and resid 32   and name HA  ))
   (( segid "SH2 " and resid 49   and name HN  ))
      3.600     1.800     1.800 peak   407 weight  0.10000E+01 volume  0.12890E-02 ppm1      5.970 ppm2      8.620 CV     1
 ASSI {  408}
   (( segid "SH2 " and resid 32   and name HA  ))
   (( segid "SH2 " and resid 32   and name HN  ))
      3.000     1.800     1.800 peak   408 weight  0.10000E+01 volume  0.11526E-02 ppm1      5.970 ppm2      7.870 CV     1
 ASSI { 3356}
   (( segid "SH2 " and resid 32   and name HA  ))
   (  segid "SH2 " and resid 24   and name HD2%)
      2.400     1.200     1.200 peak  3356 weight  0.10000E+01 volume  0.43726E-02 ppm1      5.970 ppm2      0.540 CV     1
 ASSI {  409}
   (( segid "SH2 " and resid 32   and name HA  ))
   (  segid "SH2 " and resid 32   and name HE% )
      4.500     2.100     1.500 peak   409 weight  0.10000E+01 volume  0.75824E-03 ppm1      5.960 ppm2      7.620 CV     1
 ASSI {  411}
   (( segid "SH2 " and resid 32   and name HA  ))
   (( segid "SH2 " and resid 31   and name HA  ))
      4.200     2.200     1.800 peak   411 weight  0.10000E+01 volume  0.61673E-03 ppm1      5.990 ppm2      5.290 CV     1
 ASSI {  421}
   (( segid "SH2 " and resid 32   and name HA  ))
   (( segid "SH2 " and resid 33   and name HN  ))
      2.400     1.200     1.200 peak   421 weight  0.10000E+01 volume  0.44990E-02 ppm1      5.970 ppm2     -0.670 CV     1
 ASSI { 1199}
   (( segid "SH2 " and resid 29   and name HA  ))
   (( segid "SH2 " and resid 29   and name HN  ))
      2.400     1.300     1.300 peak  1199 weight  0.10000E+01 volume  0.32857E-02 ppm1      4.600 ppm2      8.170 CV     1
 ASSI { 1214}
   (( segid "SH2 " and resid 24   and name HA  ))
   (( segid "SH2 " and resid 27   and name HE21))
      4.400     2.100     1.600 peak  1214 weight  0.10000E+01 volume  0.69252E-03 ppm1      4.160 ppm2      7.550 CV     1
 ASSI { 1204}
   (( segid "SH2 " and resid 24   and name HA  ))
   (( segid "SH2 " and resid 24   and name HB2 ))
      2.900     1.600     1.600 peak  1204 weight  0.10000E+01 volume  0.16581E-02 ppm1      4.170 ppm2      1.480 CV     1
 ASSI { 1211}
   (( segid "SH2 " and resid 117  and name HA  ))
   (( segid "SH2 " and resid 117  and name HN  ))
      3.500     2.000     2.000 peak  1211 weight  0.10000E+01 volume  0.88714E-03 ppm1      4.370 ppm2      8.100 CV     1
 ASSI { 1230}
   (( segid "SH2 " and resid 53   and name HB1 ))
   (( segid "SH2 " and resid 53   and name HA  ))
      2.600     1.400     1.400 peak  1230 weight  0.10000E+01 volume  0.29824E-02 ppm1      2.020 ppm2      5.170 CV     1
 OR { 1230}
   (( segid "SH2 " and resid 53   and name HB2 ))
   (( segid "SH2 " and resid 53   and name HA  ))
 ASSI { 1231}
   (( segid "SH2 " and resid 53   and name HB2 ))
   (( segid "SH2 " and resid 53   and name HD1 ))
      3.000     1.700     1.700 peak  1231 weight  0.10000E+01 volume  0.15064E-02 ppm1      2.030 ppm2      3.200 CV     1
 OR { 1231}
   (( segid "SH2 " and resid 53   and name HB2 ))
   (( segid "SH2 " and resid 53   and name HD2 ))
 OR { 1231}
   (( segid "SH2 " and resid 53   and name HB1 ))
   (( segid "SH2 " and resid 53   and name HD1 ))
 ASSI { 1239}
   (( segid "SH2 " and resid 21   and name HB  ))
   (  segid "SH2 " and resid 21   and name HG2%)
      2.300     1.000     1.000 peak  1239 weight  0.10000E+01 volume  0.72541E-02 ppm1      2.200 ppm2      0.970 CV     1
 ASSI { 1221}
   (( segid "SH2 " and resid 21   and name HB  ))
   (( segid "SH2 " and resid 22   and name HN  ))
      2.600     1.400     1.400 peak  1221 weight  0.10000E+01 volume  0.27802E-02 ppm1      2.200 ppm2      7.640 CV     1
 ASSI { 2408}
   (( segid "SH2 " and resid 14   and name HD1 ))
   (( segid "SH2 " and resid 15   and name HN  ))
      3.600     2.900     2.400 peak  2408 weight  0.10000E+01 volume  0.24755E-03 ppm1      3.260 ppm2      7.720 CV     1
 OR { 2408}
   (( segid "SH2 " and resid 14   and name HD2 ))
   (( segid "SH2 " and resid 15   and name HN  ))
 ASSI { 1301}
   (  segid "SH2 " and resid 15   and name HD2%)
   (( segid "SH2 " and resid 15   and name HN  ))
      4.600     2.000     1.400 peak  1301 weight  0.10000E+01 volume  0.84423E-03 ppm1      0.500 ppm2      7.720 CV     1
 ASSI { 1288}
   (( segid "SH2 " and resid 14   and name HN  ))
   (( segid "SH2 " and resid 15   and name HN  ))
      3.200     2.100     2.100 peak  1288 weight  0.10000E+01 volume  0.75106E-03 ppm1      8.540 ppm2      7.720 CV     1
 ASSI { 1300}
   (  segid "SH2 " and resid 15   and name HD1%)
   (( segid "SH2 " and resid 15   and name HN  ))
      4.300     1.900     1.700 peak  1300 weight  0.10000E+01 volume  0.97641E-03 ppm1      1.020 ppm2      7.720 CV     1
 ASSI { 1292}
   (( segid "SH2 " and resid 14   and name HA  ))
   (( segid "SH2 " and resid 15   and name HN  ))
      2.400     1.000     1.000 peak  1292 weight  0.10000E+01 volume  0.76911E-02 ppm1      4.300 ppm2      7.720 CV     1
 ASSI { 1299}
   (( segid "SH2 " and resid 15   and name HB2 ))
   (( segid "SH2 " and resid 15   and name HN  ))
      2.300     1.200     1.200 peak  1299 weight  0.10000E+01 volume  0.45966E-02 ppm1      1.540 ppm2      7.720 CV     1
 ASSI { 3978}
   (( segid "SH2 " and resid 36   and name HB2 ))
   (( segid "SH2 " and resid 15   and name HN  ))
      3.500     1.700     1.700 peak  3978 weight  0.10000E+01 volume  0.15262E-02 ppm1      2.390 ppm2      7.720 CV     1
 ASSI { 2409}
   (( segid "SH2 " and resid 36   and name HB1 ))
   (( segid "SH2 " and resid 15   and name HN  ))
      4.400     2.300     1.600 peak  2409 weight  0.10000E+01 volume  0.51373E-03 ppm1      2.780 ppm2      7.720 CV     1
 ASSI { 1298}
   (( segid "SH2 " and resid 15   and name HB1 ))
   (( segid "SH2 " and resid 15   and name HN  ))
      2.800     1.600     1.600 peak  1298 weight  0.10000E+01 volume  0.16824E-02 ppm1      1.740 ppm2      7.720 CV     1
 ASSI { 3472}
   (( segid "SH2 " and resid 14   and name HG2 ))
   (( segid "SH2 " and resid 15   and name HN  ))
      4.100     2.000     1.900 peak  3472 weight  0.10000E+01 volume  0.88329E-03 ppm1      1.930 ppm2      7.720 CV     1
 OR { 3472}
   (( segid "SH2 " and resid 14   and name HG1 ))
   (( segid "SH2 " and resid 15   and name HN  ))
 ASSI { 2406}
   (( segid "SH2 " and resid 35   and name HA  ))
   (( segid "SH2 " and resid 15   and name HN  ))
      4.400     2.500     1.600 peak  2406 weight  0.10000E+01 volume  0.41760E-03 ppm1      5.370 ppm2      7.720 CV     1
 ASSI { 2413}
   (( segid "SH2 " and resid 36   and name HN  ))
   (( segid "SH2 " and resid 15   and name HN  ))
      3.300     1.900     1.900 peak  2413 weight  0.10000E+01 volume  0.10065E-02 ppm1      9.020 ppm2      7.720 CV     1
 ASSI { 2412}
   (( segid "SH2 " and resid 16   and name HN  ))
   (( segid "SH2 " and resid 15   and name HN  ))
      4.000     1.900     1.900 peak  2412 weight  0.10000E+01 volume  0.10065E-02 ppm1      8.930 ppm2      7.720 CV     1
 ASSI { 1270}
   (( segid "SH2 " and resid 34   and name HA  ))
   (( segid "SH2 " and resid 46   and name HN  ))
      4.600     2.900     1.400 peak  1270 weight  0.10000E+01 volume  0.25056E-03 ppm1      5.830 ppm2      9.190 CV     1
 ASSI { 1267}
   (( segid "SH2 " and resid 59   and name HN  ))
   (( segid "SH2 " and resid 46   and name HN  ))
      4.500     2.500     1.500 peak  1267 weight  0.10000E+01 volume  0.41159E-03 ppm1      8.820 ppm2      9.190 CV     1
 ASSI { 1271}
   (( segid "SH2 " and resid 46   and name HA  ))
   (( segid "SH2 " and resid 46   and name HN  ))
      3.000     1.900     1.900 peak  1271 weight  0.10000E+01 volume  0.10815E-02 ppm1      5.160 ppm2      9.190 CV     1
 ASSI { 1266}
   (( segid "SH2 " and resid 57   and name HN  ))
   (( segid "SH2 " and resid 46   and name HN  ))
      2.900     1.800     1.800 peak  1266 weight  0.10000E+01 volume  0.11717E-02 ppm1      9.350 ppm2      9.190 CV     1
 ASSI { 1274}
   (( segid "SH2 " and resid 57   and name HB1 ))
   (( segid "SH2 " and resid 46   and name HN  ))
      4.000     2.000     2.000 peak  1274 weight  0.10000E+01 volume  0.88629E-03 ppm1      2.970 ppm2      9.190 CV     1
 ASSI { 1275}
   (( segid "SH2 " and resid 57   and name HB2 ))
   (( segid "SH2 " and resid 46   and name HN  ))
      3.200     2.100     2.100 peak  1275 weight  0.10000E+01 volume  0.72705E-03 ppm1      2.820 ppm2      9.190 CV     1
 ASSI { 1281}
   (  segid "SH2 " and resid 59   and name HD1%)
   (( segid "SH2 " and resid 46   and name HN  ))
      2.800     1.600     1.600 peak  1281 weight  0.10000E+01 volume  0.15983E-02 ppm1      0.730 ppm2      9.190 CV     1
 ASSI { 1272}
   (( segid "SH2 " and resid 45   and name HA  ))
   (( segid "SH2 " and resid 46   and name HN  ))
      2.100     1.100     1.100 peak  1272 weight  0.10000E+01 volume  0.58582E-02 ppm1      4.770 ppm2      9.190 CV     1
 ASSI { 1269}
   (  segid "SH2 " and resid 57   and name HD% )
   (( segid "SH2 " and resid 46   and name HN  ))
      4.600     2.500     1.400 peak  1269 weight  0.10000E+01 volume  0.43262E-03 ppm1      6.720 ppm2      9.190 CV     1
 ASSI { 1282}
   (  segid "SH2 " and resid 46   and name HD2%)
   (( segid "SH2 " and resid 46   and name HN  ))
      3.400     2.000     2.000 peak  1282 weight  0.10000E+01 volume  0.88023E-03 ppm1      0.390 ppm2      9.190 CV     1
 ASSI { 1279}
   (( segid "SH2 " and resid 46   and name HB2 ))
   (( segid "SH2 " and resid 46   and name HN  ))
      2.000     1.200     1.200 peak  1279 weight  0.10000E+01 volume  0.42661E-02 ppm1      1.200 ppm2      9.190 CV     1
 ASSI { 1278}
   (( segid "SH2 " and resid 46   and name HB1 ))
   (( segid "SH2 " and resid 46   and name HN  ))
      3.900     2.000     2.000 peak  1278 weight  0.10000E+01 volume  0.85023E-03 ppm1      1.350 ppm2      9.190 CV     1
 ASSI { 1283}
   (  segid "SH2 " and resid 46   and name HD1%)
   (( segid "SH2 " and resid 46   and name HN  ))
      4.900     2.300     1.100 peak  1283 weight  0.10000E+01 volume  0.57382E-03 ppm1      0.590 ppm2      9.190 CV     1
 ASSI { 4382}
   (( segid "SH2 " and resid 108  and name HN  ))
   (( segid "SH2 " and resid 50   and name HB2 ))
      4.100     2.300     1.900 peak  4382 weight  0.10000E+01 volume  0.55880E-03 ppm1      8.480 ppm2      1.980 CV     1
 ASSI { 4384}
   (( segid "SH2 " and resid 108  and name HN  ))
   (( segid "SH2 " and resid 106  and name HB1 ))
      4.500     2.300     1.500 peak  4384 weight  0.10000E+01 volume  0.50773E-03 ppm1      8.470 ppm2      1.680 CV     1
 ASSI { 4381}
   (( segid "SH2 " and resid 108  and name HN  ))
   (( segid "SH2 " and resid 50   and name HB1 ))
      3.800     2.200     2.200 peak  4381 weight  0.10000E+01 volume  0.65494E-03 ppm1      8.480 ppm2      2.100 CV     1
 ASSI { 1256}
   (( segid "SH2 " and resid 107  and name HB2 ))
   (( segid "SH2 " and resid 108  and name HN  ))
      2.700     1.300     1.300 peak  1256 weight  0.10000E+01 volume  0.35150E-02 ppm1      2.790 ppm2      8.480 CV     1
 ASSI { 1260}
   (( segid "SH2 " and resid 107  and name HA  ))
   (( segid "SH2 " and resid 108  and name HN  ))
      3.300     1.800     1.800 peak  1260 weight  0.10000E+01 volume  0.11266E-02 ppm1      5.110 ppm2      8.480 CV     1
 ASSI { 1257}
   (( segid "SH2 " and resid 107  and name HB1 ))
   (( segid "SH2 " and resid 108  and name HN  ))
      3.000     1.400     1.400 peak  1257 weight  0.10000E+01 volume  0.25687E-02 ppm1      2.920 ppm2      8.480 CV     1
 ASSI { 2764}
   (( segid "SH2 " and resid 35   and name HH21))
   (( segid "SH2 " and resid 35   and name HE  ))
      3.700     3.000     2.300 peak  2764 weight  0.10000E+01 volume  0.22532E-03 ppm1      9.600 ppm2      6.430 CV     1
 ASSI { 1251}
   (( segid "SH2 " and resid 35   and name HH12))
   (( segid "SH2 " and resid 35   and name HE  ))
      4.400     2.300     1.600 peak  1251 weight  0.10000E+01 volume  0.50472E-03 ppm1      5.820 ppm2      6.430 CV     1
 ASSI { 2761}
   (( segid "SH2 " and resid 35   and name HB2 ))
   (( segid "SH2 " and resid 35   and name HE  ))
      4.500     2.100     1.500 peak  2761 weight  0.10000E+01 volume  0.76011E-03 ppm1      1.420 ppm2      6.430 CV     1
 ASSI { 2890}
   (( segid "SH2 " and resid 12   and name HN  ))
   (  segid "SH2 " and resid 115  and name HG2%)
      5.900     3.400     0.100 peak  2890 weight  0.10000E+01 volume  0.15292E-03 ppm1      9.330 ppm2      0.820 CV     1
 ASSI { 3999}
   (( segid "SH2 " and resid 12   and name HN  ))
   (  segid "SH2 " and resid 15   and name HD1%)
      5.900     3.000     0.100 peak  3999 weight  0.10000E+01 volume  0.23884E-03 ppm1      9.340 ppm2      1.030 CV     1
 ASSI { 3995}
   (( segid "SH2 " and resid 12   and name HN  ))
   (  segid "SH2 " and resid 34   and name HG1%)
      4.100     2.800     1.900 peak  3995 weight  0.10000E+01 volume  0.27309E-03 ppm1      9.340 ppm2      1.200 CV     1
 ASSI { 1233}
   (( segid "SH2 " and resid 12   and name HB2 ))
   (( segid "SH2 " and resid 12   and name HN  ))
      2.600     1.500     1.500 peak  1233 weight  0.10000E+01 volume  0.19558E-02 ppm1      2.630 ppm2      9.340 CV     1
 ASSI { 1238}
   (( segid "SH2 " and resid 13   and name HN  ))
   (( segid "SH2 " and resid 12   and name HN  ))
      3.500     1.500     1.500 peak  1238 weight  0.10000E+01 volume  0.20249E-02 ppm1      5.290 ppm2      9.340 CV     1
 ASSI { 4001}
   (( segid "SH2 " and resid 12   and name HN  ))
   (  segid "SH2 " and resid 33   and name HD2%)
      4.800     2.300     1.200 peak  4001 weight  0.10000E+01 volume  0.50773E-03 ppm1      9.330 ppm2      0.630 CV     1
 ASSI { 1235}
   (( segid "SH2 " and resid 12   and name HB1 ))
   (( segid "SH2 " and resid 12   and name HN  ))
      3.800     1.700     1.700 peak  1235 weight  0.10000E+01 volume  0.14811E-02 ppm1      3.620 ppm2      9.340 CV     1
 ASSI { 1234}
   (( segid "SH2 " and resid 13   and name HA2 ))
   (( segid "SH2 " and resid 12   and name HN  ))
      4.200     2.800     1.800 peak  1234 weight  0.10000E+01 volume  0.30043E-03 ppm1      3.330 ppm2      9.340 CV     1
 ASSI { 1221}
   (( segid "SH2 " and resid 38   and name HA  ))
   (( segid "SH2 " and resid 38   and name HN  ))
      2.800     1.400     1.400 peak  1221 weight  0.10000E+01 volume  0.26558E-02 ppm1      4.470 ppm2     11.040 CV     1
 ASSI { 4003}
   (( segid "SH2 " and resid 38   and name HN  ))
   (( segid "SH2 " and resid 37   and name HB1 ))
      5.000     2.800     1.000 peak  4003 weight  0.10000E+01 volume  0.27429E-03 ppm1     11.020 ppm2      3.260 CV     1
 ASSI { 4005}
   (  segid "SH2 " and resid 45   and name HG2%)
   (( segid "SH2 " and resid 38   and name HN  ))
      4.900     2.300     1.100 peak  4005 weight  0.10000E+01 volume  0.51674E-03 ppm1      0.900 ppm2     11.030 CV     1
 ASSI { 4004}
   (( segid "SH2 " and resid 38   and name HN  ))
   (  segid "SH2 " and resid 39   and name HG2%)
      5.300     3.000     0.700 peak  4004 weight  0.10000E+01 volume  0.23133E-03 ppm1     11.040 ppm2      1.260 CV     1
 ASSI { 4002}
   (( segid "SH2 " and resid 14   and name HN  ))
   (  segid "SH2 " and resid 11   and name HE% )
      4.900     2.800     1.100 peak  4002 weight  0.10000E+01 volume  0.28420E-03 ppm1      8.560 ppm2      6.960 CV     1
 ASSI { 1215}
   (( segid "SH2 " and resid 14   and name HG1 ))
   (( segid "SH2 " and resid 14   and name HN  ))
      3.300     1.300     1.300 peak  1215 weight  0.10000E+01 volume  0.33648E-02 ppm1      1.940 ppm2      8.540 CV     1
 OR { 1215}
   (( segid "SH2 " and resid 14   and name HG2 ))
   (( segid "SH2 " and resid 14   and name HN  ))
 ASSI { 2403}
   (( segid "SH2 " and resid 14   and name HB2 ))
   (( segid "SH2 " and resid 14   and name HN  ))
      2.800     1.300     1.300 peak  2403 weight  0.10000E+01 volume  0.36953E-02 ppm1      1.640 ppm2      8.540 CV     1
 OR { 2403}
   (( segid "SH2 " and resid 14   and name HB1 ))
   (( segid "SH2 " and resid 14   and name HN  ))
 ASSI { 2892}
   (( segid "SH2 " and resid 13   and name HA2 ))
   (( segid "SH2 " and resid 14   and name HN  ))
      2.400     1.300     1.300 peak  2892 weight  0.10000E+01 volume  0.33347E-02 ppm1      3.330 ppm2      8.540 CV     1
 ASSI { 2893}
   (( segid "SH2 " and resid 13   and name HA1 ))
   (( segid "SH2 " and resid 14   and name HN  ))
      3.000     1.100     1.100 peak  2893 weight  0.10000E+01 volume  0.63088E-02 ppm1      3.610 ppm2      8.540 CV     1
 ASSI { 1211}
   (( segid "SH2 " and resid 14   and name HA  ))
   (( segid "SH2 " and resid 14   and name HN  ))
      2.700     1.500     1.500 peak  1211 weight  0.10000E+01 volume  0.23764E-02 ppm1      4.300 ppm2      8.540 CV     1
 ASSI { 2263}
   (( segid "SH2 " and resid 36   and name HB2 ))
   (( segid "SH2 " and resid 14   and name HN  ))
      3.800     2.800     2.200 peak  2263 weight  0.10000E+01 volume  0.28932E-03 ppm1      2.360 ppm2      8.540 CV     1
 ASSI { 4008}
   (( segid "SH2 " and resid 36   and name HN  ))
   (( segid "SH2 " and resid 14   and name HN  ))
      4.100     2.800     1.900 peak  4008 weight  0.10000E+01 volume  0.29172E-03 ppm1      9.020 ppm2      8.540 CV     1
 ASSI { 3406}
   (( segid "SH2 " and resid 44   and name HB1 ))
   (( segid "SH2 " and resid 59   and name HN  ))
      4.400     2.400     1.600 peak  3406 weight  0.10000E+01 volume  0.46567E-03 ppm1      3.170 ppm2      8.820 CV     1
 ASSI { 1199}
   (( segid "SH2 " and resid 59   and name HA  ))
   (( segid "SH2 " and resid 59   and name HN  ))
      3.000     1.900     1.900 peak  1199 weight  0.10000E+01 volume  0.93135E-03 ppm1      4.490 ppm2      8.820 CV     1
 ASSI { 1203}
   (( segid "SH2 " and resid 59   and name HB  ))
   (( segid "SH2 " and resid 59   and name HN  ))
      2.500     1.400     1.400 peak  1203 weight  0.10000E+01 volume  0.24185E-02 ppm1      1.720 ppm2      8.820 CV     1
 ASSI { 1205}
   (  segid "SH2 " and resid 59   and name HG2%)
   (( segid "SH2 " and resid 59   and name HN  ))
      3.600     1.500     1.500 peak  1205 weight  0.10000E+01 volume  0.21030E-02 ppm1      0.730 ppm2      8.820 CV     1
 ASSI { 3407}
   (( segid "SH2 " and resid 44   and name HB2 ))
   (( segid "SH2 " and resid 59   and name HN  ))
      4.500     2.400     1.500 peak  3407 weight  0.10000E+01 volume  0.46266E-03 ppm1      2.680 ppm2      8.820 CV     1
 ASSI { 4013}
   (( segid "SH2 " and resid 59   and name HN  ))
   (  segid "SH2 " and resid 44   and name HD% )
      5.300     2.700     0.700 peak  4013 weight  0.10000E+01 volume  0.30644E-03 ppm1      8.820 ppm2      7.060 CV     1
 ASSI { 4017}
   (( segid "SH2 " and resid 47   and name HN  ))
   (( segid "SH2 " and resid 33   and name HG  ))
      3.700     2.000     2.000 peak  4017 weight  0.10000E+01 volume  0.88329E-03 ppm1      9.080 ppm2      1.620 CV     1
 ASSI { 1188}
   (( segid "SH2 " and resid 46   and name HB1 ))
   (( segid "SH2 " and resid 47   and name HN  ))
      3.400     1.800     1.800 peak  1188 weight  0.10000E+01 volume  0.11536E-02 ppm1      1.380 ppm2      9.080 CV     1
 ASSI { 3905}
   (( segid "SH2 " and resid 47   and name HN  ))
   (  segid "SH2 " and resid 48   and name HG2%)
      4.000     2.200     2.000 peak  3905 weight  0.10000E+01 volume  0.62788E-03 ppm1      9.080 ppm2      0.900 CV     1
 OR { 3905}
   (( segid "SH2 " and resid 47   and name HN  ))
   (  segid "SH2 " and resid 48   and name HG1%)
 ASSI { 1180}
   (( segid "SH2 " and resid 46   and name HA  ))
   (( segid "SH2 " and resid 47   and name HN  ))
      2.100     1.000     1.000 peak  1180 weight  0.10000E+01 volume  0.77211E-02 ppm1      5.160 ppm2      9.080 CV     1
 ASSI { 3904}
   (( segid "SH2 " and resid 47   and name HN  ))
   (  segid "SH2 " and resid 46   and name HD1%)
      2.900     1.300     1.300 peak  3904 weight  0.10000E+01 volume  0.34850E-02 ppm1      9.080 ppm2      0.580 CV     1
 ASSI { 3906}
   (( segid "SH2 " and resid 32   and name HA  ))
   (( segid "SH2 " and resid 47   and name HN  ))
      4.500     2.400     1.500 peak  3906 weight  0.10000E+01 volume  0.46266E-03 ppm1      5.980 ppm2      9.080 CV     1
 ASSI { 2170}
   (( segid "SH2 " and resid 47   and name HN  ))
   (( segid "SH2 " and resid 33   and name HN  ))
      2.900     1.600     1.600 peak  2170 weight  0.10000E+01 volume  0.15923E-02 ppm1      9.080 ppm2      9.340 CV     1
 ASSI { 1183}
   (( segid "SH2 " and resid 47   and name HB1 ))
   (( segid "SH2 " and resid 47   and name HN  ))
      3.400     1.700     1.700 peak  1183 weight  0.10000E+01 volume  0.15532E-02 ppm1      3.500 ppm2      9.080 CV     1
 ASSI { 1193}
   (  segid "SH2 " and resid 46   and name HD2%)
   (( segid "SH2 " and resid 47   and name HN  ))
      4.600     2.000     1.400 peak  1193 weight  0.10000E+01 volume  0.77811E-03 ppm1      0.390 ppm2      9.080 CV     1
 ASSI { 1179}
   (( segid "SH2 " and resid 34   and name HA  ))
   (( segid "SH2 " and resid 47   and name HN  ))
      2.900     1.600     1.600 peak  1179 weight  0.10000E+01 volume  0.19017E-02 ppm1      5.790 ppm2      9.080 CV     1
 ASSI { 4015}
   (( segid "SH2 " and resid 47   and name HN  ))
   (( segid "SH2 " and resid 32   and name HB2 ))
      4.000     2.600     2.000 peak  4015 weight  0.10000E+01 volume  0.37253E-03 ppm1      9.080 ppm2      2.680 CV     1
 ASSI { 1173}
   (( segid "SH2 " and resid 35   and name HN  ))
   (( segid "SH2 " and resid 47   and name HN  ))
      4.200     2.400     1.800 peak  1173 weight  0.10000E+01 volume  0.48069E-03 ppm1      9.600 ppm2      9.070 CV     1
 ASSI { 1184}
   (( segid "SH2 " and resid 47   and name HB2 ))
   (( segid "SH2 " and resid 47   and name HN  ))
      2.600     1.500     1.500 peak  1184 weight  0.10000E+01 volume  0.21480E-02 ppm1      3.400 ppm2      9.080 CV     1
 ASSI { 1175}
   (( segid "SH2 " and resid 48   and name HN  ))
   (( segid "SH2 " and resid 47   and name HN  ))
      4.400     2.200     1.600 peak  1175 weight  0.10000E+01 volume  0.57982E-03 ppm1      8.780 ppm2      9.080 CV     1
 ASSI { 4365}
   (( segid "SH2 " and resid 29   and name HD2 ))
   (( segid "SH2 " and resid 51   and name HN  ))
      3.900     2.300     2.100 peak  4365 weight  0.10000E+01 volume  0.55580E-03 ppm1      7.060 ppm2      8.960 CV     1
 ASSI { 1169}
   (( segid "SH2 " and resid 50   and name HB1 ))
   (( segid "SH2 " and resid 51   and name HN  ))
      2.600     1.800     1.800 peak  1169 weight  0.10000E+01 volume  0.12108E-02 ppm1      2.100 ppm2      8.960 CV     1
 ASSI { 1168}
   (( segid "SH2 " and resid 51   and name HB2 ))
   (( segid "SH2 " and resid 51   and name HN  ))
      3.200     2.000     2.000 peak  1168 weight  0.10000E+01 volume  0.82617E-03 ppm1      2.710 ppm2      8.960 CV     1
 ASSI { 1165}
   (( segid "SH2 " and resid 51   and name HA  ))
   (( segid "SH2 " and resid 51   and name HN  ))
      2.100     1.000     1.000 peak  1165 weight  0.10000E+01 volume  0.84423E-02 ppm1      4.210 ppm2      8.960 CV     1
 ASSI { 1167}
   (( segid "SH2 " and resid 51   and name HB1 ))
   (( segid "SH2 " and resid 51   and name HN  ))
      3.400     1.900     1.900 peak  1167 weight  0.10000E+01 volume  0.93435E-03 ppm1      3.010 ppm2      8.960 CV     1
 ASSI { 1939}
   (( segid "SH2 " and resid 52   and name HN  ))
   (( segid "SH2 " and resid 51   and name HN  ))
      3.500     1.900     1.900 peak  1939 weight  0.10000E+01 volume  0.10335E-02 ppm1     -0.740 ppm2      8.960 CV     1
 ASSI { 3419}
   (( segid "SH2 " and resid 32   and name HN  ))
   (( segid "SH2 " and resid 31   and name HN  ))
      4.200     2.100     1.800 peak  3419 weight  0.10000E+01 volume  0.72705E-03 ppm1      7.880 ppm2      8.140 CV     1
 ASSI { 3533}
   (( segid "SH2 " and resid 49   and name HN  ))
   (( segid "SH2 " and resid 31   and name HN  ))
      3.600     1.900     1.900 peak  3533 weight  0.10000E+01 volume  0.97041E-03 ppm1      8.620 ppm2      8.140 CV     1
 ASSI { 3622}
   (( segid "SH2 " and resid 49   and name HB2 ))
   (( segid "SH2 " and resid 31   and name HN  ))
      4.100     1.600     1.600 peak  3622 weight  0.10000E+01 volume  0.16674E-02 ppm1      3.960 ppm2      8.140 CV     1
 ASSI { 3418}
   (( segid "SH2 " and resid 31   and name HA  ))
   (( segid "SH2 " and resid 31   and name HN  ))
      2.800     1.500     1.500 peak  3418 weight  0.10000E+01 volume  0.20189E-02 ppm1      5.310 ppm2      8.140 CV     1
 ASSI { 4027}
   (( segid "SH2 " and resid 31   and name HN  ))
   (( segid "SH2 " and resid 112  and name HN  ))
      4.500     2.700     1.500 peak  4027 weight  0.10000E+01 volume  0.31545E-03 ppm1      8.130 ppm2      9.100 CV     1
 ASSI { 3840}
   (  segid "SH2 " and resid 24   and name HD2%)
   (( segid "SH2 " and resid 31   and name HN  ))
      5.500     2.200     0.500 peak  3840 weight  0.10000E+01 volume  0.59788E-03 ppm1      0.540 ppm2      8.140 CV     1
 ASSI { 3554}
   (( segid "SH2 " and resid 49   and name HB1 ))
   (( segid "SH2 " and resid 31   and name HN  ))
      3.000     1.500     1.500 peak  3554 weight  0.10000E+01 volume  0.23764E-02 ppm1      4.370 ppm2      8.140 CV     1
 ASSI { 3545}
   (( segid "SH2 " and resid 31   and name HB  ))
   (( segid "SH2 " and resid 31   and name HN  ))
      2.400     1.100     1.100 peak  3545 weight  0.10000E+01 volume  0.58282E-02 ppm1      2.120 ppm2      8.140 CV     1
 ASSI { 1147}
   (( segid "SH2 " and resid 30   and name HA2 ))
   (( segid "SH2 " and resid 31   and name HN  ))
      3.400     1.900     1.900 peak  1147 weight  0.10000E+01 volume  0.99141E-03 ppm1      3.580 ppm2      8.140 CV     1
 ASSI { 1159}
   (( segid "SH2 " and resid 30   and name HN  ))
   (( segid "SH2 " and resid 31   and name HN  ))
      2.500     1.300     1.300 peak  1159 weight  0.10000E+01 volume  0.32446E-02 ppm1      9.420 ppm2      8.140 CV     1
 ASSI { 3551}
   (( segid "SH2 " and resid 29   and name HA  ))
   (( segid "SH2 " and resid 31   and name HN  ))
      3.100     1.600     1.600 peak  3551 weight  0.10000E+01 volume  0.17846E-02 ppm1      4.590 ppm2      8.140 CV     1
 ASSI { 3701}
   (( segid "SH2 " and resid 29   and name HB1 ))
   (( segid "SH2 " and resid 31   and name HN  ))
      4.800     2.400     1.200 peak  3701 weight  0.10000E+01 volume  0.45365E-03 ppm1      3.150 ppm2      8.140 CV     1
 OR { 3701}
   (( segid "SH2 " and resid 29   and name HB2 ))
   (( segid "SH2 " and resid 31   and name HN  ))
 ASSI { 4023}
   (( segid "SH2 " and resid 31   and name HN  ))
   (( segid "SH2 " and resid 48   and name HA  ))
      4.800     2.800     1.200 peak  4023 weight  0.10000E+01 volume  0.29382E-03 ppm1      8.140 ppm2      5.010 CV     1
 ASSI { 4025}
   (( segid "SH2 " and resid 31   and name HN  ))
   (( segid "SH2 " and resid 29   and name HD2 ))
      5.200     2.800     0.800 peak  4025 weight  0.10000E+01 volume  0.27099E-03 ppm1      8.140 ppm2      7.060 CV     1
 ASSI { 4024}
   (( segid "SH2 " and resid 31   and name HN  ))
   (( segid "SH2 " and resid 113  and name HN  ))
      4.400     2.800     1.600 peak  4024 weight  0.10000E+01 volume  0.29953E-03 ppm1      8.130 ppm2      7.220 CV     1
 ASSI { 4026}
   (( segid "SH2 " and resid 31   and name HN  ))
   (( segid "SH2 " and resid 28   and name HN  ))
      4.800     2.900     1.200 peak  4026 weight  0.10000E+01 volume  0.26588E-03 ppm1      8.130 ppm2      8.850 CV     1
 ASSI { 3835}
   (( segid "SH2 " and resid 112  and name HB  ))
   (( segid "SH2 " and resid 31   and name HN  ))
      4.000     2.100     2.000 peak  3835 weight  0.10000E+01 volume  0.66994E-03 ppm1      1.610 ppm2      8.140 CV     1
 ASSI { 4031}
   (( segid "SH2 " and resid 88   and name HN  ))
   (( segid "SH2 " and resid 89   and name HG1 ))
      3.800     2.100     2.100 peak  4031 weight  0.10000E+01 volume  0.72105E-03 ppm1      8.590 ppm2      2.170 CV     1
 OR { 4031}
   (( segid "SH2 " and resid 88   and name HN  ))
   (( segid "SH2 " and resid 89   and name HG2 ))
 ASSI { 1126}
   (( segid "SH2 " and resid 88   and name HA  ))
   (( segid "SH2 " and resid 88   and name HN  ))
      2.900     1.400     1.400 peak  1126 weight  0.10000E+01 volume  0.27519E-02 ppm1      4.680 ppm2      8.590 CV     1
 ASSI { 3212}
   (( segid "SH2 " and resid 87   and name HN  ))
   (( segid "SH2 " and resid 88   and name HN  ))
      4.700     1.900     1.300 peak  3212 weight  0.10000E+01 volume  0.99141E-03 ppm1      9.360 ppm2      8.590 CV     1
 ASSI { 4029}
   (( segid "SH2 " and resid 88   and name HN  ))
   (( segid "SH2 " and resid 87   and name HA1 ))
      2.200     1.100     1.100 peak  4029 weight  0.10000E+01 volume  0.58882E-02 ppm1      8.590 ppm2      4.000 CV     1
 ASSI { 4030}
   (( segid "SH2 " and resid 88   and name HN  ))
   (( segid "SH2 " and resid 87   and name HA2 ))
      3.200     1.300     1.300 peak  4030 weight  0.10000E+01 volume  0.34850E-02 ppm1      8.600 ppm2      3.760 CV     1
 ASSI { 1125}
   (( segid "SH2 " and resid 89   and name HN  ))
   (( segid "SH2 " and resid 88   and name HN  ))
      2.800     1.400     1.400 peak  1125 weight  0.10000E+01 volume  0.29923E-02 ppm1      8.270 ppm2      8.600 CV     1
 ASSI { 1113}
   (( segid "SH2 " and resid 57   and name HB1 ))
   (( segid "SH2 " and resid 57   and name HN  ))
      3.500     1.500     1.500 peak  1113 weight  0.10000E+01 volume  0.23824E-02 ppm1      2.960 ppm2      9.360 CV     1
 ASSI { 4045}
   (  segid "SH2 " and resid 46   and name HD2%)
   (( segid "SH2 " and resid 57   and name HN  ))
      4.500     2.200     1.500 peak  4045 weight  0.10000E+01 volume  0.62488E-03 ppm1      0.390 ppm2      9.360 CV     1
 ASSI { 4043}
   (  segid "SH2 " and resid 45   and name HG1%)
   (( segid "SH2 " and resid 57   and name HN  ))
      2.800     1.400     1.400 peak  4043 weight  0.10000E+01 volume  0.24786E-02 ppm1      1.200 ppm2      9.360 CV     1
 ASSI { 1112}
   (( segid "SH2 " and resid 56   and name HA  ))
   (( segid "SH2 " and resid 57   and name HN  ))
      2.100     1.100     1.100 peak  1112 weight  0.10000E+01 volume  0.69400E-02 ppm1      4.920 ppm2      9.360 CV     1
 ASSI { 1114}
   (( segid "SH2 " and resid 57   and name HB2 ))
   (( segid "SH2 " and resid 57   and name HN  ))
      2.600     1.600     1.600 peak  1114 weight  0.10000E+01 volume  0.18236E-02 ppm1      2.820 ppm2      9.360 CV     1
 ASSI { 1109}
   (  segid "SH2 " and resid 57   and name HD% )
   (( segid "SH2 " and resid 57   and name HN  ))
      2.500     1.300     1.300 peak  1109 weight  0.10000E+01 volume  0.30945E-02 ppm1      6.710 ppm2      9.360 CV     1
 ASSI { 1105}
   (( segid "SH2 " and resid 56   and name HN  ))
   (( segid "SH2 " and resid 57   and name HN  ))
      4.000     2.400     2.000 peak  1105 weight  0.10000E+01 volume  0.49571E-03 ppm1      8.490 ppm2      9.360 CV     1
 ASSI { 4041}
   (( segid "SH2 " and resid 47   and name HA  ))
   (( segid "SH2 " and resid 57   and name HN  ))
      3.700     1.700     1.700 peak  4041 weight  0.10000E+01 volume  0.14601E-02 ppm1      5.750 ppm2      9.360 CV     1
 ASSI { 1110}
   (  segid "SH2 " and resid 57   and name HE% )
   (( segid "SH2 " and resid 57   and name HN  ))
      5.000     2.400     1.000 peak  1110 weight  0.10000E+01 volume  0.44163E-03 ppm1      6.380 ppm2      9.360 CV     1
 ASSI { 4044}
   (  segid "SH2 " and resid 45   and name HG2%)
   (( segid "SH2 " and resid 57   and name HN  ))
      4.500     2.100     1.500 peak  4044 weight  0.10000E+01 volume  0.72705E-03 ppm1      0.920 ppm2      9.360 CV     1
 ASSI { 1104}
   (( segid "SH2 " and resid 48   and name HN  ))
   (( segid "SH2 " and resid 57   and name HN  ))
      5.200     2.800     0.800 peak  1104 weight  0.10000E+01 volume  0.29833E-03 ppm1      8.790 ppm2      9.360 CV     1
 ASSI { 1099}
   (( segid "SH2 " and resid 27   and name HE21))
   (( segid "SH2 " and resid 28   and name HN  ))
      4.900     3.000     1.100 peak  1099 weight  0.10000E+01 volume  0.23854E-03 ppm1      7.560 ppm2      8.860 CV     1
 ASSI { 4389}
   (( segid "SH2 " and resid 28   and name HN  ))
   (( segid "SH2 " and resid 27   and name HN  ))
      4.300     2.000     1.700 peak  4389 weight  0.10000E+01 volume  0.78711E-03 ppm1      8.870 ppm2      7.870 CV     1
 ASSI { 1090}
   (( segid "SH2 " and resid 28   and name HD2 ))
   (( segid "SH2 " and resid 28   and name HN  ))
      4.700     1.900     1.300 peak  1090 weight  0.10000E+01 volume  0.93435E-03 ppm1      3.150 ppm2      8.870 CV     1
 OR { 1090}
   (( segid "SH2 " and resid 28   and name HD1 ))
   (( segid "SH2 " and resid 28   and name HN  ))
 ASSI { 3508}
   (( segid "SH2 " and resid 29   and name HN  ))
   (( segid "SH2 " and resid 28   and name HN  ))
      4.400     1.900     1.600 peak  3508 weight  0.10000E+01 volume  0.94335E-03 ppm1      8.170 ppm2      8.870 CV     1
 ASSI { 4049}
   (( segid "SH2 " and resid 28   and name HN  ))
   (( segid "SH2 " and resid 27   and name HG2 ))
      3.500     1.200     1.200 peak  4049 weight  0.10000E+01 volume  0.41459E-02 ppm1      8.870 ppm2      2.320 CV     1
 OR { 4049}
   (( segid "SH2 " and resid 28   and name HN  ))
   (( segid "SH2 " and resid 27   and name HG1 ))
 ASSI { 3509}
   (( segid "SH2 " and resid 28   and name HB1 ))
   (( segid "SH2 " and resid 28   and name HN  ))
      2.300     1.000     1.000 peak  3509 weight  0.10000E+01 volume  0.78411E-02 ppm1      1.780 ppm2      8.870 CV     1
 ASSI { 1094}
   (( segid "SH2 " and resid 28   and name HB2 ))
   (( segid "SH2 " and resid 28   and name HN  ))
      2.500     1.400     1.400 peak  1094 weight  0.10000E+01 volume  0.27099E-02 ppm1      1.630 ppm2      8.870 CV     1
 ASSI { 4050}
   (( segid "SH2 " and resid 28   and name HN  ))
   (( segid "SH2 " and resid 31   and name HB  ))
      3.200     3.200     2.800 peak  4050 weight  0.10000E+01 volume  0.19438E-02 ppm1      8.870 ppm2      2.090 CV     1
 ASSI { 1060}
   (( segid "SH2 " and resid 56   and name HN  ))
   (( segid "SH2 " and resid 55   and name HN  ))
      3.900     1.700     1.700 peak  1060 weight  0.10000E+01 volume  0.13159E-02 ppm1      8.510 ppm2      9.040 CV     1
 ASSI { 3404}
   (( segid "SH2 " and resid 55   and name HB1 ))
   (( segid "SH2 " and resid 55   and name HN  ))
      3.200     1.500     1.500 peak  3404 weight  0.10000E+01 volume  0.20700E-02 ppm1      3.650 ppm2      9.040 CV     1
 ASSI { 1067}
   (( segid "SH2 " and resid 55   and name HB2 ))
   (( segid "SH2 " and resid 55   and name HN  ))
      2.800     1.700     1.700 peak  1067 weight  0.10000E+01 volume  0.14962E-02 ppm1      3.210 ppm2      9.040 CV     1
 ASSI { 2610}
   (( segid "SH2 " and resid 55   and name HN  ))
   (( segid "SH2 " and resid 49   and name HB2 ))
      5.100     2.700     0.900 peak  2610 weight  0.10000E+01 volume  0.30343E-03 ppm1      9.040 ppm2      3.920 CV     1
 ASSI { 3610}
   (( segid "SH2 " and resid 48   and name HN  ))
   (( segid "SH2 " and resid 55   and name HN  ))
      2.800     1.600     1.600 peak  3610 weight  0.10000E+01 volume  0.17815E-02 ppm1      8.780 ppm2      9.050 CV     1
 ASSI { 4057}
   (( segid "SH2 " and resid 85   and name HD1 ))
   (( segid "SH2 " and resid 86   and name HN  ))
      5.000     2.900     1.000 peak  4057 weight  0.10000E+01 volume  0.26528E-03 ppm1      3.150 ppm2      8.600 CV     1
 OR { 4057}
   (( segid "SH2 " and resid 85   and name HD2 ))
   (( segid "SH2 " and resid 86   and name HN  ))
 ASSI { 3612}
   (( segid "SH2 " and resid 55   and name HN  ))
   (  segid "SH2 " and resid 57   and name HE% )
      4.800     2.400     1.200 peak  3612 weight  0.10000E+01 volume  0.43863E-03 ppm1      9.040 ppm2      6.370 CV     1
 ASSI { 3400}
   (( segid "SH2 " and resid 47   and name HA  ))
   (( segid "SH2 " and resid 55   and name HN  ))
      4.500     2.500     1.500 peak  3400 weight  0.10000E+01 volume  0.43562E-03 ppm1      5.750 ppm2      9.050 CV     1
 ASSI { 2999}
   (( segid "SH2 " and resid 60   and name HN  ))
   (( segid "SH2 " and resid 87   and name HN  ))
      4.700     2.500     1.300 peak  2999 weight  0.10000E+01 volume  0.41760E-03 ppm1      9.040 ppm2      9.370 CV     1
 ASSI { 1567}
   (( segid "SH2 " and resid 86   and name HA  ))
   (( segid "SH2 " and resid 86   and name HN  ))
      2.800     1.700     1.700 peak  1567 weight  0.10000E+01 volume  0.15442E-02 ppm1      4.840 ppm2      8.600 CV     1
 ASSI { 4060}
   (( segid "SH2 " and resid 86   and name HN  ))
   (  segid "SH2 " and resid 97   and name HD1%)
      4.700     2.100     1.300 peak  4060 weight  0.10000E+01 volume  0.69400E-03 ppm1      8.600 ppm2      0.720 CV     1
 ASSI { 4061}
   (( segid "SH2 " and resid 86   and name HN  ))
   (  segid "SH2 " and resid 97   and name HD2%)
      4.800     2.400     1.200 peak  4061 weight  0.10000E+01 volume  0.44764E-03 ppm1      8.610 ppm2      0.500 CV     1
 ASSI { 4055}
   (( segid "SH2 " and resid 86   and name HN  ))
   (  segid "SH2 " and resid 91   and name HD% )
      4.100     2.200     1.900 peak  4055 weight  0.10000E+01 volume  0.57982E-03 ppm1      8.600 ppm2      6.950 CV     1
 ASSI { 1068}
   (( segid "SH2 " and resid 60   and name HB1 ))
   (( segid "SH2 " and resid 60   and name HN  ))
      3.600     1.500     1.500 peak  1068 weight  0.10000E+01 volume  0.23644E-02 ppm1      2.870 ppm2      9.060 CV     1
 ASSI { 1069}
   (( segid "SH2 " and resid 60   and name HB2 ))
   (( segid "SH2 " and resid 60   and name HN  ))
      2.400     1.300     1.300 peak  1069 weight  0.10000E+01 volume  0.34549E-02 ppm1      2.540 ppm2      9.060 CV     1
 ASSI { 1082}
   (( segid "SH2 " and resid 85   and name HB1 ))
   (( segid "SH2 " and resid 86   and name HN  ))
      3.500     1.500     1.500 peak  1082 weight  0.10000E+01 volume  0.21150E-02 ppm1      1.860 ppm2      8.600 CV     1
 ASSI { 1079}
   (( segid "SH2 " and resid 87   and name HN  ))
   (( segid "SH2 " and resid 86   and name HN  ))
      4.100     2.400     1.900 peak  1079 weight  0.10000E+01 volume  0.48670E-03 ppm1      9.360 ppm2      8.600 CV     1
 ASSI { 1061}
   (( segid "SH2 " and resid 60   and name HD21))
   (( segid "SH2 " and resid 60   and name HN  ))
      3.900     2.600     2.100 peak  1061 weight  0.10000E+01 volume  0.38155E-03 ppm1      7.430 ppm2      9.070 CV     1
 ASSI { 1083}
   (( segid "SH2 " and resid 85   and name HG2 ))
   (( segid "SH2 " and resid 86   and name HN  ))
      2.700     1.500     1.500 peak  1083 weight  0.10000E+01 volume  0.23884E-02 ppm1      1.490 ppm2      8.600 CV     1
 OR { 1083}
   (( segid "SH2 " and resid 85   and name HG1 ))
   (( segid "SH2 " and resid 86   and name HN  ))
 ASSI { 1051}
   (( segid "SH2 " and resid 35   and name HD2 ))
   (( segid "SH2 " and resid 35   and name HN  ))
      4.700     2.500     1.300 peak  1051 weight  0.10000E+01 volume  0.40257E-03 ppm1      3.560 ppm2      9.610 CV     1
 OR { 1051}
   (( segid "SH2 " and resid 35   and name HD1 ))
   (( segid "SH2 " and resid 35   and name HN  ))
 ASSI { 1077}
   (( segid "SH2 " and resid 89   and name HN  ))
   (( segid "SH2 " and resid 86   and name HN  ))
      3.300     1.900     1.900 peak  1077 weight  0.10000E+01 volume  0.91929E-03 ppm1      8.270 ppm2      8.600 CV     1
 ASSI { 1042}
   (( segid "SH2 " and resid 45   and name HN  ))
   (( segid "SH2 " and resid 35   and name HN  ))
      2.700     1.700     1.700 peak  1042 weight  0.10000E+01 volume  0.14751E-02 ppm1      9.780 ppm2      9.600 CV     1
 ASSI { 1049}
   (( segid "SH2 " and resid 45   and name HA  ))
   (( segid "SH2 " and resid 35   and name HN  ))
      4.400     2.700     1.600 peak  1049 weight  0.10000E+01 volume  0.31545E-03 ppm1      4.770 ppm2      9.600 CV     1
 ASSI { 1048}
   (( segid "SH2 " and resid 46   and name HA  ))
   (( segid "SH2 " and resid 35   and name HN  ))
      3.900     2.100     2.100 peak  1048 weight  0.10000E+01 volume  0.67900E-03 ppm1      5.160 ppm2      9.600 CV     1
 ASSI { 1057}
   (  segid "SH2 " and resid 34   and name HG1%)
   (( segid "SH2 " and resid 35   and name HN  ))
      3.800     1.700     1.700 peak  1057 weight  0.10000E+01 volume  0.14421E-02 ppm1      1.200 ppm2      9.600 CV     1
 ASSI { 1053}
   (( segid "SH2 " and resid 35   and name HB1 ))
   (( segid "SH2 " and resid 35   and name HN  ))
      3.400     2.200     2.200 peak  1053 weight  0.10000E+01 volume  0.60388E-03 ppm1      2.410 ppm2      9.600 CV     1
 ASSI { 1052}
   (( segid "SH2 " and resid 34   and name HB  ))
   (( segid "SH2 " and resid 35   and name HN  ))
      4.600     2.300     1.400 peak  1052 weight  0.10000E+01 volume  0.55880E-03 ppm1      2.690 ppm2      9.600 CV     1
 ASSI { 4053}
   (( segid "SH2 " and resid 45   and name HB  ))
   (( segid "SH2 " and resid 35   and name HN  ))
      3.000     1.800     1.800 peak  4053 weight  0.10000E+01 volume  0.11867E-02 ppm1      1.970 ppm2      9.600 CV     1
 ASSI { 4052}
   (( segid "SH2 " and resid 35   and name HN  ))
   (  segid "SH2 " and resid 44   and name HD% )
      4.000     2.400     2.000 peak  4052 weight  0.10000E+01 volume  0.45365E-03 ppm1      9.600 ppm2      7.050 CV     1
 ASSI { 4054}
   (  segid "SH2 " and resid 46   and name HD2%)
   (( segid "SH2 " and resid 35   and name HN  ))
      5.000     2.900     1.000 peak  4054 weight  0.10000E+01 volume  0.26438E-03 ppm1      0.370 ppm2      9.600 CV     1
 ASSI { 4066}
   (  segid "SH2 " and resid 45   and name HG2%)
   (( segid "SH2 " and resid 35   and name HN  ))
      4.400     2.600     1.600 peak  4066 weight  0.10000E+01 volume  0.34549E-03 ppm1      0.890 ppm2      9.600 CV     1
 ASSI { 4064}
   (( segid "SH2 " and resid 44   and name HB1 ))
   (( segid "SH2 " and resid 35   and name HN  ))
      4.900     2.800     1.100 peak  4064 weight  0.10000E+01 volume  0.27369E-03 ppm1      3.200 ppm2      9.610 CV     1
 ASSI { 1041}
   (( segid "SH2 " and resid 17   and name HN  ))
   (( segid "SH2 " and resid 16   and name HN  ))
      4.700     2.300     1.300 peak  1041 weight  0.10000E+01 volume  0.52876E-03 ppm1      9.230 ppm2      8.930 CV     1
 ASSI { 1028}
   (( segid "SH2 " and resid 15   and name HB2 ))
   (( segid "SH2 " and resid 16   and name HN  ))
      4.000     1.700     1.700 peak  1028 weight  0.10000E+01 volume  0.13129E-02 ppm1      1.540 ppm2      8.930 CV     1
 ASSI { 1029}
   (  segid "SH2 " and resid 15   and name HD1%)
   (( segid "SH2 " and resid 16   and name HN  ))
      3.400     1.400     1.400 peak  1029 weight  0.10000E+01 volume  0.25867E-02 ppm1      1.020 ppm2      8.930 CV     1
 ASSI { 1034}
   (( segid "SH2 " and resid 16   and name HB2 ))
   (( segid "SH2 " and resid 16   and name HN  ))
      2.600     1.400     1.400 peak  1034 weight  0.10000E+01 volume  0.27820E-02 ppm1      4.070 ppm2      8.930 CV     1
 OR { 1034}
   (( segid "SH2 " and resid 16   and name HB1 ))
   (( segid "SH2 " and resid 16   and name HN  ))
 ASSI { 2419}
   (( segid "SH2 " and resid 16   and name HN  ))
   (( segid "SH2 " and resid 15   and name HB1 ))
      3.400     1.500     1.500 peak  2419 weight  0.10000E+01 volume  0.20279E-02 ppm1      8.940 ppm2      1.750 CV     1
 ASSI { 1737}
   (( segid "SH2 " and resid 20   and name HN  ))
   (( segid "SH2 " and resid 16   and name HN  ))
      4.600     2.700     1.400 peak  1737 weight  0.10000E+01 volume  0.31545E-03 ppm1      8.250 ppm2      8.940 CV     1
 ASSI { 4071}
   (( segid "SH2 " and resid 115  and name HN  ))
   (( segid "SH2 " and resid 116  and name HN  ))
      3.000     1.800     1.800 peak  4071 weight  0.10000E+01 volume  0.12378E-02 ppm1      8.280 ppm2      8.540 CV     1
 ASSI { 4073}
   (( segid "SH2 " and resid 37   and name HN  ))
   (( segid "SH2 " and resid 36   and name HN  ))
      4.800     2.400     1.200 peak  4073 weight  0.10000E+01 volume  0.44163E-03 ppm1      8.060 ppm2      9.010 CV     1
 ASSI { 1000}
   (( segid "SH2 " and resid 35   and name HN  ))
   (( segid "SH2 " and resid 36   and name HN  ))
      4.100     2.300     1.900 peak  1000 weight  0.10000E+01 volume  0.50472E-03 ppm1      9.600 ppm2      9.010 CV     1
 ASSI { 2554}
   (( segid "SH2 " and resid 13   and name HA1 ))
   (( segid "SH2 " and resid 36   and name HN  ))
      4.700     2.100     1.300 peak  2554 weight  0.10000E+01 volume  0.73906E-03 ppm1      3.590 ppm2      9.010 CV     1
 ASSI { 1500}
   (( segid "SH2 " and resid 35   and name HG1 ))
   (( segid "SH2 " and resid 36   and name HN  ))
      3.700     1.800     1.800 peak  1500 weight  0.10000E+01 volume  0.10906E-02 ppm1      1.690 ppm2      9.010 CV     1
 OR { 1500}
   (( segid "SH2 " and resid 35   and name HG2 ))
   (( segid "SH2 " and resid 36   and name HN  ))
 ASSI { 1012}
   (( segid "SH2 " and resid 36   and name HB1 ))
   (( segid "SH2 " and resid 36   and name HN  ))
      3.500     1.400     1.400 peak  1012 weight  0.10000E+01 volume  0.24065E-02 ppm1      2.780 ppm2      9.010 CV     1
 ASSI { 1005}
   (( segid "SH2 " and resid 35   and name HA  ))
   (( segid "SH2 " and resid 36   and name HN  ))
      2.300     1.100     1.100 peak  1005 weight  0.10000E+01 volume  0.52575E-02 ppm1      5.370 ppm2      9.010 CV     1
 ASSI { 1015}
   (( segid "SH2 " and resid 35   and name HB2 ))
   (( segid "SH2 " and resid 36   and name HN  ))
      2.600     1.500     1.500 peak  1015 weight  0.10000E+01 volume  0.22022E-02 ppm1      1.470 ppm2      9.010 CV     1
 ASSI { 1013}
   (( segid "SH2 " and resid 36   and name HB2 ))
   (( segid "SH2 " and resid 36   and name HN  ))
      2.200     1.200     1.200 peak  1013 weight  0.10000E+01 volume  0.51373E-02 ppm1      2.380 ppm2      9.010 CV     1
 ASSI { 2547}
   (( segid "SH2 " and resid 14   and name HA  ))
   (( segid "SH2 " and resid 36   and name HN  ))
      3.700     1.600     1.600 peak  2547 weight  0.10000E+01 volume  0.15953E-02 ppm1      4.300 ppm2      9.010 CV     1
 ASSI { 2901}
   (  segid "SH2 " and resid 11   and name HE% )
   (( segid "SH2 " and resid 36   and name HN  ))
      3.600     2.000     2.000 peak  2901 weight  0.10000E+01 volume  0.80517E-03 ppm1      6.960 ppm2      9.020 CV     1
 ASSI { 1006}
   (( segid "SH2 " and resid 36   and name HA  ))
   (( segid "SH2 " and resid 36   and name HN  ))
      2.900     1.600     1.600 peak  1006 weight  0.10000E+01 volume  0.17665E-02 ppm1      4.900 ppm2      9.010 CV     1
 ASSI { 2553}
   (( segid "SH2 " and resid 13   and name HA2 ))
   (( segid "SH2 " and resid 36   and name HN  ))
      3.600     2.300     2.300 peak  2553 weight  0.10000E+01 volume  0.54077E-03 ppm1      3.320 ppm2      9.010 CV     1
 ASSI { 4074}
   (( segid "SH2 " and resid 91   and name HB2 ))
   (( segid "SH2 " and resid 97   and name HN  ))
      4.100     2.400     1.900 peak  4074 weight  0.10000E+01 volume  0.49872E-03 ppm1      2.410 ppm2      7.000 CV     1
 ASSI { 1996}
   (( segid "SH2 " and resid 97   and name HN  ))
   (( segid "SH2 " and resid 98   and name HG  ))
      3.900     1.700     1.700 peak  1996 weight  0.10000E+01 volume  0.14751E-02 ppm1      7.000 ppm2      1.230 CV     1
 ASSI { 2662}
   (( segid "SH2 " and resid 97   and name HN  ))
   (  segid "SH2 " and resid 46   and name HD2%)
      5.300     2.800     0.700 peak  2662 weight  0.10000E+01 volume  0.27790E-03 ppm1      7.000 ppm2      0.400 CV     1
 ASSI { 3620}
   (( segid "SH2 " and resid 91   and name HB1 ))
   (( segid "SH2 " and resid 97   and name HN  ))
      3.600     2.400     2.400 peak  3620 weight  0.10000E+01 volume  0.48670E-03 ppm1      3.300 ppm2      7.000 CV     1
 ASSI {  972}
   (  segid "SH2 " and resid 97   and name HD1%)
   (( segid "SH2 " and resid 97   and name HN  ))
      4.000     1.600     1.600 peak   972 weight  0.10000E+01 volume  0.16493E-02 ppm1      0.710 ppm2      7.000 CV     1
 ASSI {  979}
   (( segid "SH2 " and resid 96   and name HA  ))
   (( segid "SH2 " and resid 97   and name HN  ))
      2.900     1.500     1.500 peak   979 weight  0.10000E+01 volume  0.23884E-02 ppm1      4.020 ppm2      7.000 CV     1
 ASSI {  983}
   (( segid "SH2 " and resid 98   and name HN  ))
   (( segid "SH2 " and resid 97   and name HN  ))
      2.700     1.400     1.400 peak   983 weight  0.10000E+01 volume  0.25266E-02 ppm1      7.840 ppm2      7.000 CV     1
 ASSI {  975}
   (( segid "SH2 " and resid 97   and name HB2 ))
   (( segid "SH2 " and resid 97   and name HN  ))
      2.400     1.300     1.300 peak   975 weight  0.10000E+01 volume  0.33648E-02 ppm1      1.700 ppm2      7.000 CV     1
 OR {  975}
   (( segid "SH2 " and resid 97   and name HB1 ))
   (( segid "SH2 " and resid 97   and name HN  ))
 ASSI {  971}
   (  segid "SH2 " and resid 97   and name HD2%)
   (( segid "SH2 " and resid 97   and name HN  ))
      3.900     1.800     1.800 peak   971 weight  0.10000E+01 volume  0.11446E-02 ppm1      0.520 ppm2      7.000 CV     1
 ASSI { 4079}
   (( segid "SH2 " and resid 97   and name HN  ))
   (( segid "SH2 " and resid 91   and name HA  ))
      5.100     2.800     0.900 peak  4079 weight  0.10000E+01 volume  0.27159E-03 ppm1      7.000 ppm2      4.750 CV     1
 ASSI { 4078}
   (( segid "SH2 " and resid 97   and name HN  ))
   (  segid "SH2 " and resid 98   and name HD1%)
      5.100     2.900     0.900 peak  4078 weight  0.10000E+01 volume  0.25777E-03 ppm1      6.990 ppm2     -0.440 CV     1
 ASSI {  978}
   (( segid "SH2 " and resid 95   and name HD2 ))
   (( segid "SH2 " and resid 97   and name HN  ))
      4.100     2.400     1.900 peak   978 weight  0.10000E+01 volume  0.44163E-03 ppm1      3.800 ppm2      7.000 CV     1
 OR {  978}
   (( segid "SH2 " and resid 95   and name HD1 ))
   (( segid "SH2 " and resid 97   and name HN  ))
 ASSI { 3901}
   (( segid "SH2 " and resid 10   and name HA  ))
   (( segid "SH2 " and resid 115  and name HN  ))
      4.200     2.600     1.800 peak  3901 weight  0.10000E+01 volume  0.36352E-03 ppm1      5.040 ppm2      8.250 CV     1
 ASSI { 4082}
   (( segid "SH2 " and resid 115  and name HN  ))
   (( segid "SH2 " and resid 33   and name HN  ))
      4.200     2.700     1.800 peak  4082 weight  0.10000E+01 volume  0.30644E-03 ppm1      8.250 ppm2      9.340 CV     1
 ASSI { 2720}
   (( segid "SH2 " and resid 32   and name HA  ))
   (( segid "SH2 " and resid 115  and name HN  ))
      4.400     2.900     1.600 peak  2720 weight  0.10000E+01 volume  0.25627E-03 ppm1      6.000 ppm2      8.240 CV     1
 ASSI {  959}
   (  segid "SH2 " and resid 32   and name HE% )
   (( segid "SH2 " and resid 32   and name HN  ))
      3.300     1.600     1.600 peak   959 weight  0.10000E+01 volume  0.17815E-02 ppm1      7.620 ppm2      7.880 CV     1
 ASSI { 4081}
   (( segid "SH2 " and resid 32   and name HN  ))
   (( segid "SH2 " and resid 112  and name HN  ))
      4.500     2.900     1.500 peak  4081 weight  0.10000E+01 volume  0.26889E-03 ppm1      7.880 ppm2      9.100 CV     1
 ASSI {  986}
   (( segid "SH2 " and resid 31   and name HA  ))
   (( segid "SH2 " and resid 115  and name HN  ))
      4.200     2.300     1.800 peak   986 weight  0.10000E+01 volume  0.57382E-03 ppm1      5.300 ppm2      8.240 CV     1
 ASSI { 4077}
   (( segid "SH2 " and resid 32   and name HN  ))
   (  segid "SH2 " and resid 24   and name HD2%)
      3.800     2.000     2.000 peak  4077 weight  0.10000E+01 volume  0.89529E-03 ppm1      7.880 ppm2      0.550 CV     1
 OR { 4077}
   (( segid "SH2 " and resid 32   and name HN  ))
   (  segid "SH2 " and resid 24   and name HD1%)
 ASSI {  964}
   (( segid "SH2 " and resid 33   and name HN  ))
   (( segid "SH2 " and resid 32   and name HN  ))
      4.300     2.400     1.700 peak   964 weight  0.10000E+01 volume  0.44464E-03 ppm1      9.340 ppm2      7.880 CV     1
 ASSI { 2053}
   (( segid "SH2 " and resid 114  and name HB2 ))
   (( segid "SH2 " and resid 115  and name HN  ))
      2.800     1.400     1.400 peak  2053 weight  0.10000E+01 volume  0.24755E-02 ppm1      1.850 ppm2      8.250 CV     1
 OR { 2053}
   (( segid "SH2 " and resid 114  and name HB1 ))
   (( segid "SH2 " and resid 115  and name HN  ))
 ASSI { 1924}
   (  segid "SH2 " and resid 32   and name HD% )
   (( segid "SH2 " and resid 32   and name HN  ))
      2.900     1.700     1.700 peak  1924 weight  0.10000E+01 volume  0.14301E-02 ppm1      6.740 ppm2      7.880 CV     1
 ASSI { 3676}
   (( segid "SH2 " and resid 32   and name HN  ))
   (( segid "SH2 " and resid 115  and name HN  ))
      3.200     1.700     1.700 peak  3676 weight  0.10000E+01 volume  0.15172E-02 ppm1      7.880 ppm2      8.250 CV     1
 ASSI {  993}
   (( segid "SH2 " and resid 115  and name HB  ))
   (( segid "SH2 " and resid 115  and name HN  ))
      2.900     1.200     1.200 peak   993 weight  0.10000E+01 volume  0.50773E-02 ppm1      1.670 ppm2      8.250 CV     1
 ASSI { 3009}
   (( segid "SH2 " and resid 115  and name HN  ))
   (( segid "SH2 " and resid 12   and name HZ2 ))
      6.000     2.800     0.000 peak  3009 weight  0.10000E+01 volume  0.29743E-03 ppm1      8.250 ppm2      7.140 CV     1
 ASSI { 4084}
   (( segid "SH2 " and resid 31   and name HB  ))
   (( segid "SH2 " and resid 32   and name HN  ))
      4.600     2.000     1.400 peak  4084 weight  0.10000E+01 volume  0.81117E-03 ppm1      2.140 ppm2      7.890 CV     1
 ASSI { 2524}
   (( segid "SH2 " and resid 106  and name HA  ))
   (( segid "SH2 " and resid 106  and name HN  ))
      2.700     1.300     1.300 peak  2524 weight  0.10000E+01 volume  0.35451E-02 ppm1      4.070 ppm2      7.890 CV     1
 ASSI { 2526}
   (( segid "SH2 " and resid 32   and name HN  ))
   (( segid "SH2 " and resid 114  and name HA  ))
      3.400     2.300     2.300 peak  2526 weight  0.10000E+01 volume  0.54378E-03 ppm1      7.890 ppm2      4.390 CV     1
 ASSI { 1913}
   (  segid "SH2 " and resid 31   and name HG1%)
   (( segid "SH2 " and resid 32   and name HN  ))
      3.300     1.400     1.400 peak  1913 weight  0.10000E+01 volume  0.27670E-02 ppm1      1.060 ppm2      7.890 CV     1
 ASSI { 4086}
   (( segid "SH2 " and resid 106  and name HN  ))
   (( segid "SH2 " and resid 104  and name HB1 ))
      4.000     3.100     2.000 peak  4086 weight  0.10000E+01 volume  0.21060E-03 ppm1      7.890 ppm2      3.000 CV     1
 ASSI {  949}
   (( segid "SH2 " and resid 105  and name HB1 ))
   (( segid "SH2 " and resid 106  and name HN  ))
      3.600     1.700     1.700 peak   949 weight  0.10000E+01 volume  0.13639E-02 ppm1      2.740 ppm2      7.890 CV     1
 ASSI {  952}
   (( segid "SH2 " and resid 106  and name HB1 ))
   (( segid "SH2 " and resid 106  and name HN  ))
      3.300     1.400     1.400 peak   952 weight  0.10000E+01 volume  0.28450E-02 ppm1      1.680 ppm2      7.890 CV     1
 ASSI {  953}
   (( segid "SH2 " and resid 106  and name HB2 ))
   (( segid "SH2 " and resid 106  and name HN  ))
      2.400     1.400     1.400 peak   953 weight  0.10000E+01 volume  0.25777E-02 ppm1      1.250 ppm2      7.890 CV     1
 ASSI { 2522}
   (( segid "SH2 " and resid 106  and name HN  ))
   (( segid "SH2 " and resid 110  and name HA  ))
      3.300     3.300     2.700 peak  2522 weight  0.10000E+01 volume  0.12378E-02 ppm1      7.890 ppm2      4.690 CV     1
 ASSI { 4087}
   (( segid "SH2 " and resid 106  and name HN  ))
   (( segid "SH2 " and resid 107  and name HN  ))
      3.300     1.600     1.600 peak  4087 weight  0.10000E+01 volume  0.16764E-02 ppm1      7.890 ppm2      8.460 CV     1
 ASSI { 4089}
   (( segid "SH2 " and resid 83   and name HN  ))
   (( segid "SH2 " and resid 84   and name HN  ))
      4.700     2.500     1.300 peak  4089 weight  0.10000E+01 volume  0.42360E-03 ppm1      8.260 ppm2      8.700 CV     1
 ASSI {  950}
   (( segid "SH2 " and resid 105  and name HB2 ))
   (( segid "SH2 " and resid 106  and name HN  ))
      3.600     1.700     1.700 peak   950 weight  0.10000E+01 volume  0.15442E-02 ppm1      2.500 ppm2      7.890 CV     1
 ASSI { 4101}
   (( segid "SH2 " and resid 65   and name HN  ))
   (( segid "SH2 " and resid 64   and name HB1 ))
      3.600     2.100     2.100 peak  4101 weight  0.10000E+01 volume  0.68200E-03 ppm1      8.450 ppm2      2.230 CV     1
 OR { 4101}
   (( segid "SH2 " and resid 65   and name HN  ))
   (( segid "SH2 " and resid 64   and name HB2 ))
 ASSI { 4102}
   (( segid "SH2 " and resid 65   and name HN  ))
   (( segid "SH2 " and resid 65   and name HG1 ))
      3.500     1.400     1.400 peak  4102 weight  0.10000E+01 volume  0.27009E-02 ppm1      8.450 ppm2      1.700 CV     1
 OR { 4102}
   (( segid "SH2 " and resid 65   and name HN  ))
   (( segid "SH2 " and resid 65   and name HG2 ))
 ASSI { 3948}
   (( segid "SH2 " and resid 64   and name HA  ))
   (( segid "SH2 " and resid 65   and name HN  ))
      2.200     1.200     1.200 peak  3948 weight  0.10000E+01 volume  0.50472E-02 ppm1      4.420 ppm2      8.450 CV     1
 ASSI { 4103}
   (( segid "SH2 " and resid 65   and name HN  ))
   (( segid "SH2 " and resid 64   and name HG2 ))
      4.300     1.700     1.700 peak  4103 weight  0.10000E+01 volume  0.13910E-02 ppm1      8.460 ppm2      1.850 CV     1
 ASSI { 4100}
   (( segid "SH2 " and resid 65   and name HN  ))
   (( segid "SH2 " and resid 65   and name HD1 ))
      5.400     3.000     0.600 peak  4100 weight  0.10000E+01 volume  0.22262E-03 ppm1      8.460 ppm2      3.180 CV     1
 OR { 4100}
   (( segid "SH2 " and resid 65   and name HN  ))
   (( segid "SH2 " and resid 65   and name HD2 ))
 ASSI { 4104}
   (( segid "SH2 " and resid 65   and name HN  ))
   (( segid "SH2 " and resid 64   and name HG1 ))
      5.300     2.600     0.700 peak  4104 weight  0.10000E+01 volume  0.34249E-03 ppm1      8.460 ppm2      2.000 CV     1
 ASSI { 4099}
   (( segid "SH2 " and resid 65   and name HN  ))
   (( segid "SH2 " and resid 64   and name HD2 ))
      4.900     2.700     1.100 peak  4099 weight  0.10000E+01 volume  0.32146E-03 ppm1      8.460 ppm2      3.600 CV     1
 OR { 4099}
   (( segid "SH2 " and resid 65   and name HN  ))
   (( segid "SH2 " and resid 64   and name HD1 ))
 ASSI { 3879}
   (( segid "SH2 " and resid 84   and name HN  ))
   (( segid "SH2 " and resid 83   and name HD1 ))
      4.700     2.600     1.300 peak  3879 weight  0.10000E+01 volume  0.36652E-03 ppm1      8.700 ppm2      3.090 CV     1
 OR { 3879}
   (( segid "SH2 " and resid 84   and name HN  ))
   (( segid "SH2 " and resid 83   and name HD2 ))
 ASSI { 4095}
   (( segid "SH2 " and resid 84   and name HN  ))
   (( segid "SH2 " and resid 84   and name HB2 ))
      2.600     1.300     1.300 peak  4095 weight  0.10000E+01 volume  0.33949E-02 ppm1      8.700 ppm2      1.590 CV     1
 OR { 4095}
   (( segid "SH2 " and resid 84   and name HN  ))
   (( segid "SH2 " and resid 84   and name HB1 ))
 ASSI { 4091}
   (( segid "SH2 " and resid 84   and name HN  ))
   (( segid "SH2 " and resid 91   and name HN  ))
      3.200     1.800     1.800 peak  4091 weight  0.10000E+01 volume  0.11266E-02 ppm1      8.700 ppm2      9.000 CV     1
 ASSI { 4097}
   (( segid "SH2 " and resid 84   and name HN  ))
   (( segid "SH2 " and resid 84   and name HG  ))
      3.500     2.000     2.000 peak  4097 weight  0.10000E+01 volume  0.88629E-03 ppm1      8.700 ppm2      1.200 CV     1
 ASSI { 4093}
   (( segid "SH2 " and resid 83   and name HA  ))
   (( segid "SH2 " and resid 84   and name HN  ))
      2.400     1.200     1.200 peak  4093 weight  0.10000E+01 volume  0.44464E-02 ppm1      4.560 ppm2      8.700 CV     1
 ASSI { 4094}
   (( segid "SH2 " and resid 84   and name HN  ))
   (( segid "SH2 " and resid 62   and name HB2 ))
      4.600     3.000     1.400 peak  4094 weight  0.10000E+01 volume  0.21932E-03 ppm1      8.710 ppm2      3.870 CV     1
 OR { 4094}
   (( segid "SH2 " and resid 84   and name HN  ))
   (( segid "SH2 " and resid 62   and name HB1 ))
 ASSI { 3880}
   (( segid "SH2 " and resid 84   and name HN  ))
   (( segid "SH2 " and resid 91   and name HB2 ))
      4.100     2.600     1.900 peak  3880 weight  0.10000E+01 volume  0.35150E-03 ppm1      8.700 ppm2      2.410 CV     1
 ASSI {  900}
   (( segid "SH2 " and resid 35   and name HH22))
   (( segid "SH2 " and resid 17   and name HN  ))
      5.100     2.800     0.900 peak   900 weight  0.10000E+01 volume  0.28300E-03 ppm1      5.920 ppm2      9.240 CV     1
 ASSI {  907}
   (( segid "SH2 " and resid 16   and name HB1 ))
   (( segid "SH2 " and resid 17   and name HN  ))
      3.100     1.600     1.600 peak   907 weight  0.10000E+01 volume  0.19108E-02 ppm1      4.070 ppm2      9.240 CV     1
 OR {  907}
   (( segid "SH2 " and resid 16   and name HB2 ))
   (( segid "SH2 " and resid 17   and name HN  ))
 ASSI {  911}
   (( segid "SH2 " and resid 17   and name HB1 ))
   (( segid "SH2 " and resid 17   and name HN  ))
      3.500     1.400     1.400 peak   911 weight  0.10000E+01 volume  0.28992E-02 ppm1      1.580 ppm2      9.230 CV     1
 ASSI { 2623}
   (( segid "SH2 " and resid 16   and name HA  ))
   (( segid "SH2 " and resid 17   and name HN  ))
      2.200     1.000     1.000 peak  2623 weight  0.10000E+01 volume  0.82617E-02 ppm1      4.380 ppm2      9.230 CV     1
 ASSI {  912}
   (( segid "SH2 " and resid 17   and name HB2 ))
   (( segid "SH2 " and resid 17   and name HN  ))
      3.000     2.100     2.100 peak   912 weight  0.10000E+01 volume  0.75406E-03 ppm1      1.250 ppm2      9.240 CV     1
 ASSI {  910}
   (( segid "SH2 " and resid 17   and name HG1 ))
   (( segid "SH2 " and resid 17   and name HN  ))
      3.000     1.400     1.400 peak   910 weight  0.10000E+01 volume  0.26738E-02 ppm1      2.050 ppm2      9.230 CV     1
 OR {  910}
   (( segid "SH2 " and resid 17   and name HG2 ))
   (( segid "SH2 " and resid 17   and name HN  ))
 ASSI {  909}
   (( segid "SH2 " and resid 17   and name HD1 ))
   (( segid "SH2 " and resid 17   and name HN  ))
      4.600     2.200     1.400 peak   909 weight  0.10000E+01 volume  0.60688E-03 ppm1      2.840 ppm2      9.240 CV     1
 OR {  909}
   (( segid "SH2 " and resid 17   and name HD2 ))
   (( segid "SH2 " and resid 17   and name HN  ))
 ASSI { 4118}
   (( segid "SH2 " and resid 11   and name HA  ))
   (( segid "SH2 " and resid 11   and name HN  ))
      2.900     1.700     1.700 peak  4118 weight  0.10000E+01 volume  0.14181E-02 ppm1      5.690 ppm2      7.670 CV     1
 ASSI { 4114}
   (( segid "SH2 " and resid 11   and name HN  ))
   (( segid "SH2 " and resid 12   and name HN  ))
      4.100     2.200     1.900 peak  4114 weight  0.10000E+01 volume  0.59788E-03 ppm1      7.670 ppm2      9.350 CV     1
 ASSI {  886}
   (( segid "SH2 " and resid 10   and name HA  ))
   (( segid "SH2 " and resid 11   and name HN  ))
      3.300     1.800     1.800 peak   886 weight  0.10000E+01 volume  0.11446E-02 ppm1      5.070 ppm2      7.670 CV     1
 ASSI { 3976}
   (( segid "SH2 " and resid 11   and name HN  ))
   (( segid "SH2 " and resid 10   and name HE3 ))
      3.200     1.900     1.900 peak  3976 weight  0.10000E+01 volume  0.10665E-02 ppm1      7.670 ppm2      7.480 CV     1
 ASSI {  892}
   (( segid "SH2 " and resid 11   and name HB2 ))
   (( segid "SH2 " and resid 11   and name HN  ))
      2.600     1.100     1.100 peak   892 weight  0.10000E+01 volume  0.54077E-02 ppm1      2.460 ppm2      7.670 CV     1
 ASSI { 4120}
   (( segid "SH2 " and resid 10   and name HB1 ))
   (( segid "SH2 " and resid 11   and name HN  ))
      4.200     2.300     1.800 peak  4120 weight  0.10000E+01 volume  0.54678E-03 ppm1      3.820 ppm2      7.670 CV     1
 ASSI { 4116}
   (( segid "SH2 " and resid 11   and name HN  ))
   (( segid "SH2 " and resid 10   and name HN  ))
      2.300     1.200     1.200 peak  4116 weight  0.10000E+01 volume  0.50472E-02 ppm1      7.670 ppm2      6.740 CV     1
 ASSI { 4122}
   (( segid "SH2 " and resid 10   and name HB2 ))
   (( segid "SH2 " and resid 11   and name HN  ))
      4.100     2.400     1.900 peak  4122 weight  0.10000E+01 volume  0.45064E-03 ppm1      3.010 ppm2      7.670 CV     1
 ASSI { 4119}
   (( segid "SH2 " and resid 11   and name HN  ))
   (( segid "SH2 " and resid 9    and name HA  ))
      4.000     1.700     1.700 peak  4119 weight  0.10000E+01 volume  0.13189E-02 ppm1      7.670 ppm2      4.160 CV     1
 ASSI { 1697}
   (( segid "SH2 " and resid 82   and name HA  ))
   (( segid "SH2 " and resid 83   and name HN  ))
      2.900     1.400     1.400 peak  1697 weight  0.10000E+01 volume  0.29682E-02 ppm1      4.360 ppm2      8.260 CV     1
 ASSI {  858}
   (( segid "SH2 " and resid 93   and name HA  ))
   (( segid "SH2 " and resid 94   and name HN  ))
      2.600     1.400     1.400 peak   858 weight  0.10000E+01 volume  0.28420E-02 ppm1      4.570 ppm2      9.380 CV     1
 ASSI { 2748}
   (( segid "SH2 " and resid 94   and name HA  ))
   (( segid "SH2 " and resid 94   and name HN  ))
      2.500     1.400     1.400 peak  2748 weight  0.10000E+01 volume  0.28090E-02 ppm1      4.030 ppm2      9.380 CV     1
 ASSI {  861}
   (( segid "SH2 " and resid 95   and name HD2 ))
   (( segid "SH2 " and resid 94   and name HN  ))
      2.600     1.500     1.500 peak   861 weight  0.10000E+01 volume  0.19348E-02 ppm1      3.810 ppm2      9.380 CV     1
 OR {  861}
   (( segid "SH2 " and resid 95   and name HD1 ))
   (( segid "SH2 " and resid 94   and name HN  ))
 ASSI { 3248}
   (( segid "SH2 " and resid 94   and name HN  ))
   (  segid "SH2 " and resid 94   and name HD2%)
      4.500     2.100     1.500 peak  3248 weight  0.10000E+01 volume  0.70300E-03 ppm1      9.380 ppm2      0.370 CV     1
 ASSI {  876}
   (( segid "SH2 " and resid 60   and name HB2 ))
   (( segid "SH2 " and resid 85   and name HN  ))
      3.800     2.300     2.200 peak   876 weight  0.10000E+01 volume  0.55279E-03 ppm1      2.540 ppm2      8.970 CV     1
 ASSI {  872}
   (( segid "SH2 " and resid 85   and name HG2 ))
   (( segid "SH2 " and resid 85   and name HN  ))
      4.100     1.900     1.900 peak   872 weight  0.10000E+01 volume  0.97041E-03 ppm1      1.520 ppm2      8.970 CV     1
 OR {  872}
   (( segid "SH2 " and resid 85   and name HG1 ))
   (( segid "SH2 " and resid 85   and name HN  ))
 ASSI {  868}
   (  segid "SH2 " and resid 84   and name HD1%)
   (( segid "SH2 " and resid 85   and name HN  ))
      3.500     1.800     1.800 peak   868 weight  0.10000E+01 volume  0.12858E-02 ppm1      0.730 ppm2      8.980 CV     1
 ASSI {  871}
   (( segid "SH2 " and resid 85   and name HB2 ))
   (( segid "SH2 " and resid 85   and name HN  ))
      3.100     1.600     1.600 peak   871 weight  0.10000E+01 volume  0.18236E-02 ppm1      1.640 ppm2      8.980 CV     1
 ASSI { 1703}
   (( segid "SH2 " and resid 85   and name HD2 ))
   (( segid "SH2 " and resid 85   and name HN  ))
      5.300     3.000     0.700 peak  1703 weight  0.10000E+01 volume  0.23764E-03 ppm1      3.160 ppm2      8.970 CV     1
 OR { 1703}
   (( segid "SH2 " and resid 85   and name HD1 ))
   (( segid "SH2 " and resid 85   and name HN  ))
 ASSI { 3244}
   (( segid "SH2 " and resid 94   and name HN  ))
   (( segid "SH2 " and resid 96   and name HN  ))
      4.600     2.900     1.400 peak  3244 weight  0.10000E+01 volume  0.25777E-03 ppm1      9.370 ppm2      7.290 CV     1
 ASSI { 4126}
   (( segid "SH2 " and resid 84   and name HG  ))
   (( segid "SH2 " and resid 85   and name HN  ))
      4.500     2.100     1.500 peak  4126 weight  0.10000E+01 volume  0.75406E-03 ppm1      1.200 ppm2      8.970 CV     1
 ASSI {  869}
   (  segid "SH2 " and resid 84   and name HD2%)
   (( segid "SH2 " and resid 85   and name HN  ))
      4.200     1.900     1.800 peak   869 weight  0.10000E+01 volume  0.96135E-03 ppm1      0.900 ppm2      8.980 CV     1
 ASSI {  878}
   (( segid "SH2 " and resid 86   and name HN  ))
   (( segid "SH2 " and resid 85   and name HN  ))
      4.300     2.400     1.700 peak   878 weight  0.10000E+01 volume  0.48670E-03 ppm1      8.600 ppm2      8.970 CV     1
 ASSI { 4125}
   (( segid "SH2 " and resid 53   and name HN  ))
   (( segid "SH2 " and resid 51   and name HN  ))
      3.900     2.300     2.100 peak  4125 weight  0.10000E+01 volume  0.54077E-03 ppm1      8.060 ppm2      8.960 CV     1
 ASSI {  847}
   (( segid "SH2 " and resid 53   and name HB1 ))
   (( segid "SH2 " and resid 53   and name HN  ))
      3.200     1.500     1.500 peak   847 weight  0.10000E+01 volume  0.20880E-02 ppm1      2.030 ppm2      8.060 CV     1
 OR {  847}
   (( segid "SH2 " and resid 53   and name HB2 ))
   (( segid "SH2 " and resid 53   and name HN  ))
 ASSI {  842}
   (( segid "SH2 " and resid 52   and name HA  ))
   (( segid "SH2 " and resid 53   and name HN  ))
      2.800     1.200     1.200 peak   842 weight  0.10000E+01 volume  0.40859E-02 ppm1      4.300 ppm2      8.060 CV     1
 ASSI { 3715}
   (( segid "SH2 " and resid 53   and name HN  ))
   (( segid "SH2 " and resid 53   and name HG1 ))
      2.500     1.200     1.200 peak  3715 weight  0.10000E+01 volume  0.42060E-02 ppm1      8.060 ppm2      1.670 CV     1
 OR { 3715}
   (( segid "SH2 " and resid 53   and name HN  ))
   (( segid "SH2 " and resid 53   and name HG2 ))
 ASSI { 3869}
   (( segid "SH2 " and resid 50   and name HN  ))
   (( segid "SH2 " and resid 53   and name HN  ))
      2.800     1.400     1.400 peak  3869 weight  0.10000E+01 volume  0.29382E-02 ppm1      8.510 ppm2      8.060 CV     1
 ASSI {  840}
   (( segid "SH2 " and resid 53   and name HA  ))
   (( segid "SH2 " and resid 53   and name HN  ))
      2.500     1.200     1.200 peak   840 weight  0.10000E+01 volume  0.48369E-02 ppm1      5.180 ppm2      8.060 CV     1
 ASSI { 3290}
   (( segid "SH2 " and resid 51   and name HB2 ))
   (( segid "SH2 " and resid 53   and name HN  ))
      4.000     2.000     2.000 peak  3290 weight  0.10000E+01 volume  0.87123E-03 ppm1      2.710 ppm2      8.060 CV     1
 ASSI { 1952}
   (( segid "SH2 " and resid 60   and name HB1 ))
   (( segid "SH2 " and resid 85   and name HN  ))
      4.200     2.400     1.800 peak  1952 weight  0.10000E+01 volume  0.46867E-03 ppm1      2.870 ppm2      8.960 CV     1
 ASSI {  844}
   (( segid "SH2 " and resid 53   and name HD2 ))
   (( segid "SH2 " and resid 53   and name HN  ))
      4.700     2.200     1.300 peak   844 weight  0.10000E+01 volume  0.61288E-03 ppm1      3.200 ppm2      8.060 CV     1
 OR {  844}
   (( segid "SH2 " and resid 53   and name HD1 ))
   (( segid "SH2 " and resid 53   and name HN  ))
 ASSI { 3289}
   (( segid "SH2 " and resid 51   and name HB1 ))
   (( segid "SH2 " and resid 53   and name HN  ))
      4.200     2.100     1.800 peak  3289 weight  0.10000E+01 volume  0.74506E-03 ppm1      3.010 ppm2      8.070 CV     1
 ASSI { 1700}
   (( segid "SH2 " and resid 62   and name HB1 ))
   (( segid "SH2 " and resid 83   and name HN  ))
      3.200     3.200     2.800 peak  1700 weight  0.10000E+01 volume  0.18446E-02 ppm1      3.850 ppm2      8.260 CV     1
 OR { 1700}
   (( segid "SH2 " and resid 62   and name HB2 ))
   (( segid "SH2 " and resid 83   and name HN  ))
 ASSI { 1698}
   (( segid "SH2 " and resid 83   and name HD1 ))
   (( segid "SH2 " and resid 83   and name HN  ))
      4.700     2.400     1.300 peak  1698 weight  0.10000E+01 volume  0.44163E-03 ppm1      3.090 ppm2      8.260 CV     1
 OR { 1698}
   (( segid "SH2 " and resid 83   and name HD2 ))
   (( segid "SH2 " and resid 83   and name HN  ))
 ASSI { 2231}
   (( segid "SH2 " and resid 52   and name HN  ))
   (( segid "SH2 " and resid 53   and name HN  ))
      2.500     1.200     1.200 peak  2231 weight  0.10000E+01 volume  0.39657E-02 ppm1     -0.740 ppm2      8.070 CV     1
 ASSI { 4395}
   (( segid "SH2 " and resid 54   and name HN  ))
   (  segid "SH2 " and resid 24   and name HD2%)
      6.000     3.100     0.000 peak  4395 weight  0.10000E+01 volume  0.20159E-03 ppm1      7.930 ppm2      0.550 CV     1
 OR { 4395}
   (( segid "SH2 " and resid 54   and name HN  ))
   (  segid "SH2 " and resid 24   and name HD1%)
 ASSI { 4394}
   (( segid "SH2 " and resid 54   and name HN  ))
   (( segid "SH2 " and resid 21   and name HA  ))
      6.000     2.600     0.000 peak  4394 weight  0.10000E+01 volume  0.36052E-03 ppm1      7.920 ppm2      3.510 CV     1
 ASSI { 2434}
   (( segid "SH2 " and resid 20   and name HN  ))
   (  segid "SH2 " and resid 33   and name HD1%)
      5.000     2.400     1.000 peak  2434 weight  0.10000E+01 volume  0.45365E-03 ppm1      8.240 ppm2     -0.100 CV     1
 ASSI { 4134}
   (( segid "SH2 " and resid 54   and name HN  ))
   (  segid "SH2 " and resid 21   and name HG1%)
      5.000     2.100     1.000 peak  4134 weight  0.10000E+01 volume  0.67294E-03 ppm1      7.930 ppm2      1.240 CV     1
 ASSI {  811}
   (( segid "SH2 " and resid 54   and name HA  ))
   (( segid "SH2 " and resid 54   and name HN  ))
      2.700     1.500     1.500 peak   811 weight  0.10000E+01 volume  0.22532E-02 ppm1      4.780 ppm2      7.930 CV     1
 ASSI { 3875}
   (( segid "SH2 " and resid 55   and name HN  ))
   (( segid "SH2 " and resid 54   and name HN  ))
      4.000     2.000     2.000 peak  3875 weight  0.10000E+01 volume  0.79611E-03 ppm1      9.030 ppm2      7.930 CV     1
 ASSI { 2998}
   (( segid "SH2 " and resid 53   and name HN  ))
   (( segid "SH2 " and resid 54   and name HN  ))
      3.700     1.700     1.700 peak  2998 weight  0.10000E+01 volume  0.12979E-02 ppm1      8.060 ppm2      7.930 CV     1
 ASSI { 4392}
   (( segid "SH2 " and resid 54   and name HN  ))
   (( segid "SH2 " and resid 50   and name HN  ))
      4.300     2.500     1.700 peak  4392 weight  0.10000E+01 volume  0.40257E-03 ppm1      7.930 ppm2      8.510 CV     1
 ASSI { 4136}
   (( segid "SH2 " and resid 54   and name HN  ))
   (( segid "SH2 " and resid 50   and name HB2 ))
      2.500     2.500     3.500 peak  4136 weight  0.10000E+01 volume  0.79917E-02 ppm1      7.930 ppm2      2.020 CV     1
 ASSI {  824}
   (( segid "SH2 " and resid 23   and name HN  ))
   (( segid "SH2 " and resid 20   and name HN  ))
      4.500     2.900     1.500 peak   824 weight  0.10000E+01 volume  0.25176E-03 ppm1      7.340 ppm2      8.250 CV     1
 ASSI { 4135}
   (( segid "SH2 " and resid 73   and name HN  ))
   (( segid "SH2 " and resid 72   and name HG1 ))
      3.200     3.200     2.800 peak  4135 weight  0.10000E+01 volume  0.69400E-02 ppm1      7.930 ppm2      1.840 CV     1
 OR { 4135}
   (( segid "SH2 " and resid 73   and name HN  ))
   (( segid "SH2 " and resid 72   and name HG2 ))
 ASSI { 4138}
   (( segid "SH2 " and resid 20   and name HN  ))
   (( segid "SH2 " and resid 17   and name HN  ))
      4.400     2.800     1.600 peak  4138 weight  0.10000E+01 volume  0.29382E-03 ppm1      8.250 ppm2      9.220 CV     1
 ASSI { 4139}
   (( segid "SH2 " and resid 20   and name HN  ))
   (( segid "SH2 " and resid 21   and name HB  ))
      3.200     3.200     2.800 peak  4139 weight  0.10000E+01 volume  0.34850E-02 ppm1      8.250 ppm2      2.210 CV     1
 ASSI {  826}
   (( segid "SH2 " and resid 17   and name HA  ))
   (( segid "SH2 " and resid 20   and name HN  ))
      3.000     1.700     1.700 peak   826 weight  0.10000E+01 volume  0.15472E-02 ppm1      3.500 ppm2      8.250 CV     1
 ASSI {  823}
   (( segid "SH2 " and resid 22   and name HN  ))
   (( segid "SH2 " and resid 20   and name HN  ))
      3.700     2.200     2.200 peak   823 weight  0.10000E+01 volume  0.58882E-03 ppm1      7.640 ppm2      8.250 CV     1
 ASSI {  822}
   (( segid "SH2 " and resid 19   and name HN  ))
   (( segid "SH2 " and resid 20   and name HN  ))
      2.500     1.200     1.200 peak   822 weight  0.10000E+01 volume  0.42360E-02 ppm1      7.880 ppm2      8.250 CV     1
 ASSI { 2433}
   (( segid "SH2 " and resid 20   and name HN  ))
   (  segid "SH2 " and resid 23   and name HD1%)
      4.100     2.200     1.900 peak  2433 weight  0.10000E+01 volume  0.57682E-03 ppm1      8.250 ppm2     -0.010 CV     1
 ASSI {  805}
   (( segid "SH2 " and resid 20   and name HN  ))
   (  segid "SH2 " and resid 15   and name HD2%)
      3.200     1.600     1.600 peak   805 weight  0.10000E+01 volume  0.16974E-02 ppm1      8.250 ppm2      0.510 CV     1
 ASSI {  803}
   (( segid "SH2 " and resid 20   and name HN  ))
   (( segid "SH2 " and resid 15   and name HA  ))
      3.200     3.200     2.800 peak   803 weight  0.10000E+01 volume  0.42962E-02 ppm1      8.270 ppm2      4.460 CV     1
 ASSI { 3934}
   (( segid "SH2 " and resid 112  and name HN  ))
   (( segid "SH2 " and resid 113  and name HB2 ))
      4.600     2.400     1.400 peak  3934 weight  0.10000E+01 volume  0.46867E-03 ppm1      9.100 ppm2      2.170 CV     1
 ASSI { 3806}
   (( segid "SH2 " and resid 112  and name HA  ))
   (( segid "SH2 " and resid 112  and name HN  ))
      2.300     1.100     1.100 peak  3806 weight  0.10000E+01 volume  0.63994E-02 ppm1      4.410 ppm2      9.100 CV     1
 ASSI {  788}
   (( segid "SH2 " and resid 112  and name HB  ))
   (( segid "SH2 " and resid 112  and name HN  ))
      2.500     1.300     1.300 peak   788 weight  0.10000E+01 volume  0.38756E-02 ppm1      1.590 ppm2      9.100 CV     1
 ASSI {  793}
   (  segid "SH2 " and resid 111  and name HD1%)
   (( segid "SH2 " and resid 112  and name HN  ))
      5.000     2.400     1.000 peak   793 weight  0.10000E+01 volume  0.44764E-03 ppm1     -0.010 ppm2      9.100 CV     1
 ASSI { 4145}
   (  segid "SH2 " and resid 32   and name HE% )
   (( segid "SH2 " and resid 112  and name HN  ))
      3.400     2.000     2.000 peak  4145 weight  0.10000E+01 volume  0.78711E-03 ppm1      7.620 ppm2      9.100 CV     1
 ASSI { 3803}
   (  segid "SH2 " and resid 32   and name HD% )
   (( segid "SH2 " and resid 112  and name HN  ))
      3.200     2.000     2.000 peak  3803 weight  0.10000E+01 volume  0.78411E-03 ppm1      6.740 ppm2      9.100 CV     1
 ASSI { 3933}
   (( segid "SH2 " and resid 112  and name HN  ))
   (( segid "SH2 " and resid 113  and name HA  ))
      4.600     2.900     1.400 peak  3933 weight  0.10000E+01 volume  0.26078E-03 ppm1      9.100 ppm2      4.990 CV     1
 ASSI { 3932}
   (( segid "SH2 " and resid 31   and name HA  ))
   (( segid "SH2 " and resid 112  and name HN  ))
      4.000     2.500     2.000 peak  3932 weight  0.10000E+01 volume  0.39056E-03 ppm1      5.310 ppm2      9.100 CV     1
 ASSI { 3807}
   (( segid "SH2 " and resid 30   and name HA1 ))
   (( segid "SH2 " and resid 112  and name HN  ))
      3.200     1.800     1.800 peak  3807 weight  0.10000E+01 volume  0.11356E-02 ppm1      4.750 ppm2      9.090 CV     1
 ASSI {  800}
   (( segid "SH2 " and resid 80   and name HA  ))
   (( segid "SH2 " and resid 80   and name HN  ))
      2.500     1.200     1.200 peak   800 weight  0.10000E+01 volume  0.49270E-02 ppm1      4.730 ppm2      8.440 CV     1
 ASSI {  799}
   (( segid "SH2 " and resid 80   and name HB2 ))
   (( segid "SH2 " and resid 80   and name HN  ))
      3.100     1.600     1.600 peak   799 weight  0.10000E+01 volume  0.18116E-02 ppm1      3.830 ppm2      8.440 CV     1
 ASSI {  795}
   (( segid "SH2 " and resid 48   and name HN  ))
   (( segid "SH2 " and resid 54   and name HA  ))
      3.800     2.000     2.000 peak   795 weight  0.10000E+01 volume  0.84423E-03 ppm1      8.780 ppm2      4.780 CV     1
 ASSI {  801}
   (( segid "SH2 " and resid 80   and name HN  ))
   (( segid "SH2 " and resid 79   and name HB  ))
      4.100     2.100     1.900 peak   801 weight  0.10000E+01 volume  0.75406E-03 ppm1      8.440 ppm2      2.040 CV     1
 ASSI {  802}
   (( segid "SH2 " and resid 80   and name HN  ))
   (  segid "SH2 " and resid 79   and name HG1%)
      3.900     1.900     1.900 peak   802 weight  0.10000E+01 volume  0.92835E-03 ppm1      8.440 ppm2      0.890 CV     1
 OR {  802}
   (( segid "SH2 " and resid 80   and name HN  ))
   (  segid "SH2 " and resid 79   and name HG2%)
 ASSI {  794}
   (( segid "SH2 " and resid 32   and name HA  ))
   (( segid "SH2 " and resid 48   and name HN  ))
      4.400     2.600     1.600 peak   794 weight  0.10000E+01 volume  0.36052E-03 ppm1      5.980 ppm2      8.790 CV     1
 ASSI { 4147}
   (( segid "SH2 " and resid 48   and name HN  ))
   (  segid "SH2 " and resid 20   and name HB% )
      4.500     2.500     1.500 peak  4147 weight  0.10000E+01 volume  0.39056E-03 ppm1      8.780 ppm2      1.420 CV     1
 ASSI { 4148}
   (( segid "SH2 " and resid 48   and name HN  ))
   (  segid "SH2 " and resid 54   and name HG2%)
      2.800     1.500     1.500 peak  4148 weight  0.10000E+01 volume  0.22562E-02 ppm1      8.780 ppm2      0.380 CV     1
 ASSI { 1345}
   (( segid "SH2 " and resid 56   and name HA  ))
   (( segid "SH2 " and resid 48   and name HN  ))
      3.600     1.600     1.600 peak  1345 weight  0.10000E+01 volume  0.16734E-02 ppm1      4.970 ppm2      8.780 CV     1
 ASSI {  766}
   (( segid "SH2 " and resid 47   and name HB1 ))
   (( segid "SH2 " and resid 48   and name HN  ))
      3.200     1.800     1.800 peak   766 weight  0.10000E+01 volume  0.11566E-02 ppm1      3.510 ppm2      8.780 CV     1
 ASSI { 3571}
   (( segid "SH2 " and resid 55   and name HB2 ))
   (( segid "SH2 " and resid 48   and name HN  ))
      4.200     2.300     1.800 peak  3571 weight  0.10000E+01 volume  0.56782E-03 ppm1      3.210 ppm2      8.780 CV     1
 ASSI {  764}
   (( segid "SH2 " and resid 48   and name HB  ))
   (( segid "SH2 " and resid 48   and name HN  ))
      3.200     1.600     1.600 peak   764 weight  0.10000E+01 volume  0.15893E-02 ppm1      1.840 ppm2      8.780 CV     1
 ASSI { 3573}
   (  segid "SH2 " and resid 24   and name HD2%)
   (( segid "SH2 " and resid 48   and name HN  ))
      3.600     1.700     1.700 peak  3573 weight  0.10000E+01 volume  0.13730E-02 ppm1      0.550 ppm2      8.780 CV     1
 ASSI { 2491}
   (  segid "SH2 " and resid 57   and name HE% )
   (( segid "SH2 " and resid 48   and name HN  ))
      3.300     2.600     2.600 peak  2491 weight  0.10000E+01 volume  0.38155E-03 ppm1      6.380 ppm2      8.780 CV     1
 ASSI {  767}
   (( segid "SH2 " and resid 55   and name HB1 ))
   (( segid "SH2 " and resid 48   and name HN  ))
      3.500     2.100     2.100 peak   767 weight  0.10000E+01 volume  0.71805E-03 ppm1      3.650 ppm2      8.790 CV     1
 ASSI {  768}
   (( segid "SH2 " and resid 55   and name HA  ))
   (( segid "SH2 " and resid 48   and name HN  ))
      4.500     2.800     1.500 peak   768 weight  0.10000E+01 volume  0.29352E-03 ppm1      4.500 ppm2      8.780 CV     1
 ASSI { 1772}
   (( segid "SH2 " and resid 25   and name HG2 ))
   (( segid "SH2 " and resid 25   and name HN  ))
      3.500     1.500     1.500 peak  1772 weight  0.10000E+01 volume  0.22863E-02 ppm1      2.380 ppm2      8.680 CV     1
 OR { 1772}
   (( segid "SH2 " and resid 25   and name HG1 ))
   (( segid "SH2 " and resid 25   and name HN  ))
 ASSI { 3482}
   (( segid "SH2 " and resid 26   and name HN  ))
   (( segid "SH2 " and resid 25   and name HN  ))
      4.200     1.800     1.800 peak  3482 weight  0.10000E+01 volume  0.10936E-02 ppm1      8.960 ppm2      8.680 CV     1
 ASSI { 3485}
   (( segid "SH2 " and resid 24   and name HA  ))
   (( segid "SH2 " and resid 25   and name HN  ))
      3.100     1.700     1.700 peak  3485 weight  0.10000E+01 volume  0.14391E-02 ppm1      4.170 ppm2      8.680 CV     1
 ASSI { 4156}
   (( segid "SH2 " and resid 25   and name HN  ))
   (  segid "SH2 " and resid 21   and name HG1%)
      4.000     2.400     2.000 peak  4156 weight  0.10000E+01 volume  0.43863E-03 ppm1      8.680 ppm2      1.240 CV     1
 ASSI { 1773}
   (( segid "SH2 " and resid 25   and name HB2 ))
   (( segid "SH2 " and resid 25   and name HN  ))
      2.300     1.000     1.000 peak  1773 weight  0.10000E+01 volume  0.73005E-02 ppm1      2.150 ppm2      8.680 CV     1
 OR { 1773}
   (( segid "SH2 " and resid 25   and name HB1 ))
   (( segid "SH2 " and resid 25   and name HN  ))
 ASSI {  776}
   (( segid "SH2 " and resid 24   and name HN  ))
   (( segid "SH2 " and resid 25   and name HN  ))
      2.200     1.100     1.100 peak   776 weight  0.10000E+01 volume  0.65194E-02 ppm1      7.390 ppm2      8.680 CV     1
 ASSI { 1775}
   (( segid "SH2 " and resid 24   and name HB1 ))
   (( segid "SH2 " and resid 25   and name HN  ))
      3.200     1.600     1.600 peak  1775 weight  0.10000E+01 volume  0.17906E-02 ppm1      1.710 ppm2      8.680 CV     1
 ASSI { 2274}
   (  segid "SH2 " and resid 24   and name HD2%)
   (( segid "SH2 " and resid 25   and name HN  ))
      4.100     1.800     1.800 peak  2274 weight  0.10000E+01 volume  0.11837E-02 ppm1      0.550 ppm2      8.680 CV     1
 ASSI { 4158}
   (( segid "SH2 " and resid 25   and name HN  ))
   (( segid "SH2 " and resid 54   and name HB  ))
      2.600     2.600     3.400 peak  4158 weight  0.10000E+01 volume  0.62488E-02 ppm1      8.680 ppm2      1.940 CV     1
 ASSI { 3483}
   (( segid "SH2 " and resid 25   and name HA  ))
   (( segid "SH2 " and resid 25   and name HN  ))
      2.600     1.300     1.300 peak  3483 weight  0.10000E+01 volume  0.37554E-02 ppm1      3.900 ppm2      8.680 CV     1
 ASSI { 3484}
   (( segid "SH2 " and resid 22   and name HA  ))
   (( segid "SH2 " and resid 25   and name HN  ))
      3.400     1.800     1.800 peak  3484 weight  0.10000E+01 volume  0.12588E-02 ppm1      4.040 ppm2      8.680 CV     1
 ASSI { 4160}
   (( segid "SH2 " and resid 25   and name HN  ))
   (  segid "SH2 " and resid 54   and name HG2%)
      4.600     2.200     1.400 peak  4160 weight  0.10000E+01 volume  0.59788E-03 ppm1      8.680 ppm2      0.380 CV     1
 ASSI { 2486}
   (( segid "SH2 " and resid 72   and name HA  ))
   (( segid "SH2 " and resid 73   and name HN  ))
      3.600     2.400     2.400 peak  2486 weight  0.10000E+01 volume  0.47468E-03 ppm1      4.410 ppm2      7.960 CV     1
 ASSI { 2996}
   (( segid "SH2 " and resid 56   and name HN  ))
   (( segid "SH2 " and resid 48   and name HN  ))
      4.600     2.700     1.400 peak  2996 weight  0.10000E+01 volume  0.30343E-03 ppm1      8.500 ppm2      8.800 CV     1
 ASSI {  703}
   (( segid "SH2 " and resid 56   and name HE1 ))
   (( segid "SH2 " and resid 56   and name HN  ))
      3.500     1.700     1.700 peak   703 weight  0.10000E+01 volume  0.14661E-02 ppm1      7.020 ppm2      8.490 CV     1
 ASSI {  755}
   (( segid "SH2 " and resid 56   and name HB1 ))
   (( segid "SH2 " and resid 56   and name HN  ))
      3.100     1.600     1.600 peak   755 weight  0.10000E+01 volume  0.17275E-02 ppm1      3.060 ppm2      8.490 CV     1
 ASSI {  754}
   (( segid "SH2 " and resid 55   and name HA  ))
   (( segid "SH2 " and resid 56   and name HN  ))
      2.300     1.000     1.000 peak   754 weight  0.10000E+01 volume  0.75406E-02 ppm1      4.500 ppm2      8.490 CV     1
 ASSI { 4174}
   (( segid "SH2 " and resid 56   and name HN  ))
   (( segid "SH2 " and resid 56   and name HD2 ))
      3.300     1.700     1.700 peak  4174 weight  0.10000E+01 volume  0.14661E-02 ppm1      8.490 ppm2      7.020 CV     1
 ASSI {  707}
   (( segid "SH2 " and resid 47   and name HA  ))
   (( segid "SH2 " and resid 56   and name HN  ))
      4.600     2.500     1.400 peak   707 weight  0.10000E+01 volume  0.39056E-03 ppm1      5.750 ppm2      8.500 CV     1
 ASSI {  709}
   (( segid "SH2 " and resid 55   and name HB2 ))
   (( segid "SH2 " and resid 56   and name HN  ))
      3.900     1.600     1.600 peak   709 weight  0.10000E+01 volume  0.16193E-02 ppm1      3.210 ppm2      8.490 CV     1
 ASSI {  710}
   (( segid "SH2 " and resid 56   and name HB2 ))
   (( segid "SH2 " and resid 56   and name HN  ))
      3.500     1.900     1.900 peak   710 weight  0.10000E+01 volume  0.10755E-02 ppm1      2.720 ppm2      8.490 CV     1
 ASSI { 2744}
   (( segid "SH2 " and resid 56   and name HN  ))
   (  segid "SH2 " and resid 45   and name HG1%)
      4.500     2.200     1.500 peak  2744 weight  0.10000E+01 volume  0.61288E-03 ppm1      8.500 ppm2      1.210 CV     1
 ASSI {  704}
   (  segid "SH2 " and resid 57   and name HD% )
   (( segid "SH2 " and resid 56   and name HN  ))
      4.600     3.000     1.400 peak   704 weight  0.10000E+01 volume  0.22472E-03 ppm1      6.710 ppm2      8.500 CV     1
 ASSI {  708}
   (( segid "SH2 " and resid 55   and name HB1 ))
   (( segid "SH2 " and resid 56   and name HN  ))
      3.500     2.000     2.000 peak   708 weight  0.10000E+01 volume  0.78111E-03 ppm1      3.660 ppm2      8.480 CV     1
 ASSI {  706}
   (  segid "SH2 " and resid 57   and name HE% )
   (( segid "SH2 " and resid 56   and name HN  ))
      4.500     2.800     1.500 peak   706 weight  0.10000E+01 volume  0.29773E-03 ppm1      6.390 ppm2      8.490 CV     1
 ASSI { 3911}
   (( segid "SH2 " and resid 100  and name HN  ))
   (  segid "SH2 " and resid 97   and name HD2%)
      5.000     2.900     1.000 peak  3911 weight  0.10000E+01 volume  0.26558E-03 ppm1      7.530 ppm2      0.510 CV     1
 ASSI {  727}
   (( segid "SH2 " and resid 98   and name HA  ))
   (( segid "SH2 " and resid 100  and name HN  ))
      3.800     2.300     2.200 peak   727 weight  0.10000E+01 volume  0.56481E-03 ppm1      3.360 ppm2      7.540 CV     1
 ASSI { 4167}
   (  segid "SH2 " and resid 100  and name HD% )
   (( segid "SH2 " and resid 100  and name HN  ))
      5.000     2.300     1.000 peak  4167 weight  0.10000E+01 volume  0.53777E-03 ppm1      5.720 ppm2      7.540 CV     1
 ASSI { 3057}
   (  segid "SH2 " and resid 91   and name HD% )
   (( segid "SH2 " and resid 100  and name HN  ))
      3.900     1.900     1.900 peak  3057 weight  0.10000E+01 volume  0.10545E-02 ppm1      6.880 ppm2      7.540 CV     1
 ASSI { 3056}
   (  segid "SH2 " and resid 91   and name HE% )
   (( segid "SH2 " and resid 100  and name HN  ))
      4.300     2.000     1.700 peak  3056 weight  0.10000E+01 volume  0.78711E-03 ppm1      7.020 ppm2      7.540 CV     1
 ASSI {  728}
   (( segid "SH2 " and resid 100  and name HB2 ))
   (( segid "SH2 " and resid 100  and name HN  ))
      2.300     1.100     1.100 peak   728 weight  0.10000E+01 volume  0.58882E-02 ppm1      2.920 ppm2      7.540 CV     1
 ASSI { 3912}
   (( segid "SH2 " and resid 99   and name HB1 ))
   (( segid "SH2 " and resid 100  and name HN  ))
      2.500     1.200     1.200 peak  3912 weight  0.10000E+01 volume  0.44163E-02 ppm1      1.990 ppm2      7.540 CV     1
 OR { 3912}
   (( segid "SH2 " and resid 99   and name HB2 ))
   (( segid "SH2 " and resid 100  and name HN  ))
 ASSI { 1901}
   (( segid "SH2 " and resid 21   and name HN  ))
   (( segid "SH2 " and resid 19   and name HN  ))
      3.500     2.000     2.000 peak  1901 weight  0.10000E+01 volume  0.90129E-03 ppm1      8.370 ppm2      7.880 CV     1
 ASSI {  719}
   (( segid "SH2 " and resid 99   and name HN  ))
   (( segid "SH2 " and resid 100  and name HN  ))
      2.500     1.300     1.300 peak   719 weight  0.10000E+01 volume  0.36652E-02 ppm1      7.780 ppm2      7.540 CV     1
 ASSI {  726}
   (( segid "SH2 " and resid 99   and name HA  ))
   (( segid "SH2 " and resid 100  and name HN  ))
      3.200     1.700     1.700 peak   726 weight  0.10000E+01 volume  0.14361E-02 ppm1      3.690 ppm2      7.540 CV     1
 ASSI {  718}
   (( segid "SH2 " and resid 16   and name HN  ))
   (( segid "SH2 " and resid 19   and name HN  ))
      4.200     2.000     1.800 peak   718 weight  0.10000E+01 volume  0.79311E-03 ppm1      8.940 ppm2      7.880 CV     1
 ASSI {  743}
   (( segid "SH2 " and resid 19   and name HA  ))
   (( segid "SH2 " and resid 19   and name HN  ))
      2.500     1.200     1.200 peak   743 weight  0.10000E+01 volume  0.45365E-02 ppm1      3.960 ppm2      7.880 CV     1
 ASSI { 1898}
   (( segid "SH2 " and resid 19   and name HN  ))
   (( segid "SH2 " and resid 21   and name HB  ))
      2.600     2.600     3.400 peak  1898 weight  0.10000E+01 volume  0.75706E-02 ppm1      7.880 ppm2      2.220 CV     1
 ASSI { 4173}
   (( segid "SH2 " and resid 18   and name HG1 ))
   (( segid "SH2 " and resid 19   and name HN  ))
      4.300     2.000     1.700 peak  4173 weight  0.10000E+01 volume  0.88929E-03 ppm1      2.410 ppm2      7.880 CV     1
 OR { 4173}
   (( segid "SH2 " and resid 18   and name HG2 ))
   (( segid "SH2 " and resid 19   and name HN  ))
 ASSI { 2429}
   (( segid "SH2 " and resid 17   and name HA  ))
   (( segid "SH2 " and resid 19   and name HN  ))
      3.900     2.500     2.100 peak  2429 weight  0.10000E+01 volume  0.42360E-03 ppm1      3.500 ppm2      7.880 CV     1
 ASSI {  714}
   (( segid "SH2 " and resid 17   and name HN  ))
   (( segid "SH2 " and resid 19   and name HN  ))
      4.200     2.600     1.800 peak   714 weight  0.10000E+01 volume  0.36352E-03 ppm1      9.240 ppm2      7.880 CV     1
 ASSI {  744}
   (( segid "SH2 " and resid 16   and name HA  ))
   (( segid "SH2 " and resid 19   and name HN  ))
      3.900     1.900     1.900 peak   744 weight  0.10000E+01 volume  0.94635E-03 ppm1      4.380 ppm2      7.880 CV     1
 ASSI { 4171}
   (( segid "SH2 " and resid 19   and name HN  ))
   (  segid "SH2 " and resid 15   and name HD1%)
      4.800     2.000     1.200 peak  4171 weight  0.10000E+01 volume  0.82617E-03 ppm1      7.880 ppm2      1.020 CV     1
 ASSI { 2430}
   (( segid "SH2 " and resid 19   and name HN  ))
   (( segid "SH2 " and resid 17   and name HB2 ))
      4.900     2.900     1.100 peak  2430 weight  0.10000E+01 volume  0.26288E-03 ppm1      7.880 ppm2      1.250 CV     1
 ASSI { 3581}
   (( segid "SH2 " and resid 32   and name HB2 ))
   (( segid "SH2 " and resid 49   and name HN  ))
      5.000     2.400     1.000 peak  3581 weight  0.10000E+01 volume  0.46867E-03 ppm1      2.660 ppm2      8.620 CV     1
 ASSI { 3580}
   (( segid "SH2 " and resid 32   and name HB1 ))
   (( segid "SH2 " and resid 49   and name HN  ))
      4.200     2.400     1.800 peak  3580 weight  0.10000E+01 volume  0.46567E-03 ppm1      3.230 ppm2      8.630 CV     1
 ASSI { 3585}
   (  segid "SH2 " and resid 24   and name HD2%)
   (( segid "SH2 " and resid 49   and name HN  ))
      4.000     4.000     2.000 peak  3585 weight  0.10000E+01 volume  0.22983E-02 ppm1      0.550 ppm2      8.620 CV     1
 ASSI { 3583}
   (( segid "SH2 " and resid 48   and name HA  ))
   (( segid "SH2 " and resid 49   and name HN  ))
      2.200     1.100     1.100 peak  3583 weight  0.10000E+01 volume  0.54077E-02 ppm1      5.000 ppm2      8.620 CV     1
 ASSI { 3586}
   (( segid "SH2 " and resid 49   and name HN  ))
   (  segid "SH2 " and resid 54   and name HG2%)
      4.500     2.200     1.500 peak  3586 weight  0.10000E+01 volume  0.57982E-03 ppm1      8.620 ppm2      0.380 CV     1
 ASSI { 3582}
   (( segid "SH2 " and resid 48   and name HB  ))
   (( segid "SH2 " and resid 49   and name HN  ))
      3.400     1.900     1.900 peak  3582 weight  0.10000E+01 volume  0.99441E-03 ppm1      1.830 ppm2      8.620 CV     1
 ASSI { 3584}
   (  segid "SH2 " and resid 48   and name HG1%)
   (( segid "SH2 " and resid 49   and name HN  ))
      2.800     1.200     1.200 peak  3584 weight  0.10000E+01 volume  0.39957E-02 ppm1      0.900 ppm2      8.620 CV     1
 ASSI {  693}
   (( segid "SH2 " and resid 49   and name HB1 ))
   (( segid "SH2 " and resid 49   and name HN  ))
      2.500     1.400     1.400 peak   693 weight  0.10000E+01 volume  0.28541E-02 ppm1      4.370 ppm2      8.620 CV     1
 ASSI { 3576}
   (( segid "SH2 " and resid 30   and name HN  ))
   (( segid "SH2 " and resid 49   and name HN  ))
      3.600     2.200     2.200 peak  3576 weight  0.10000E+01 volume  0.59488E-03 ppm1      9.410 ppm2      8.620 CV     1
 ASSI { 3578}
   (( segid "SH2 " and resid 49   and name HA  ))
   (( segid "SH2 " and resid 49   and name HN  ))
      2.800     1.600     1.600 peak  3578 weight  0.10000E+01 volume  0.18386E-02 ppm1      4.820 ppm2      8.620 CV     1
 ASSI { 3579}
   (( segid "SH2 " and resid 49   and name HB2 ))
   (( segid "SH2 " and resid 49   and name HN  ))
      2.500     1.400     1.400 peak  3579 weight  0.10000E+01 volume  0.29442E-02 ppm1      3.950 ppm2      8.620 CV     1
 ASSI { 4179}
   (( segid "SH2 " and resid 49   and name HN  ))
   (( segid "SH2 " and resid 31   and name HB  ))
      4.700     2.200     1.300 peak  4179 weight  0.10000E+01 volume  0.63994E-03 ppm1      8.620 ppm2      2.100 CV     1
 ASSI {  686}
   (( segid "SH2 " and resid 60   and name HB2 ))
   (( segid "SH2 " and resid 61   and name HN  ))
      4.600     2.200     1.400 peak   686 weight  0.10000E+01 volume  0.66094E-03 ppm1      2.540 ppm2      9.080 CV     1
 ASSI {  685}
   (( segid "SH2 " and resid 60   and name HD22))
   (( segid "SH2 " and resid 61   and name HN  ))
      5.700     2.900     0.300 peak   685 weight  0.10000E+01 volume  0.24125E-03 ppm1      6.710 ppm2      9.080 CV     1
 ASSI {  684}
   (( segid "SH2 " and resid 44   and name HN  ))
   (( segid "SH2 " and resid 61   and name HN  ))
      4.600     2.700     1.400 peak   684 weight  0.10000E+01 volume  0.30945E-03 ppm1      8.760 ppm2      9.080 CV     1
 ASSI {  671}
   (( segid "SH2 " and resid 60   and name HA  ))
   (( segid "SH2 " and resid 61   and name HN  ))
      2.400     1.100     1.100 peak   671 weight  0.10000E+01 volume  0.57982E-02 ppm1      4.830 ppm2      9.080 CV     1
 ASSI {  668}
   (( segid "SH2 " and resid 60   and name HB1 ))
   (( segid "SH2 " and resid 61   and name HN  ))
      3.100     1.800     1.800 peak   668 weight  0.10000E+01 volume  0.11506E-02 ppm1      2.880 ppm2      9.080 CV     1
 ASSI {  670}
   (( segid "SH2 " and resid 61   and name HB1 ))
   (( segid "SH2 " and resid 61   and name HN  ))
      2.900     1.600     1.600 peak   670 weight  0.10000E+01 volume  0.17005E-02 ppm1      4.030 ppm2      9.080 CV     1
 ASSI {  674}
   (( segid "SH2 " and resid 62   and name HN  ))
   (( segid "SH2 " and resid 61   and name HN  ))
      4.400     2.200     1.600 peak   674 weight  0.10000E+01 volume  0.58282E-03 ppm1      8.590 ppm2      9.080 CV     1
 ASSI {  669}
   (( segid "SH2 " and resid 61   and name HB2 ))
   (( segid "SH2 " and resid 61   and name HN  ))
      3.400     1.700     1.700 peak   669 weight  0.10000E+01 volume  0.13309E-02 ppm1      3.890 ppm2      9.080 CV     1
 ASSI {  672}
   (( segid "SH2 " and resid 61   and name HA  ))
   (( segid "SH2 " and resid 61   and name HN  ))
      2.900     1.500     1.500 peak   672 weight  0.10000E+01 volume  0.23433E-02 ppm1      5.080 ppm2      9.080 CV     1
 ASSI { 4185}
   (( segid "SH2 " and resid 61   and name HN  ))
   (  segid "SH2 " and resid 84   and name HD2%)
      4.800     2.900     1.200 peak  4185 weight  0.10000E+01 volume  0.25837E-03 ppm1      9.080 ppm2      0.890 CV     1
 ASSI {  676}
   (( segid "SH2 " and resid 29   and name HB2 ))
   (( segid "SH2 " and resid 29   and name HN  ))
      2.300     1.100     1.100 peak   676 weight  0.10000E+01 volume  0.63694E-02 ppm1      3.130 ppm2      8.170 CV     1
 OR {  676}
   (( segid "SH2 " and resid 29   and name HB1 ))
   (( segid "SH2 " and resid 29   and name HN  ))
 ASSI {  679}
   (( segid "SH2 " and resid 29   and name HD2 ))
   (( segid "SH2 " and resid 29   and name HN  ))
      2.800     1.600     1.600 peak   679 weight  0.10000E+01 volume  0.18296E-02 ppm1      7.060 ppm2      8.170 CV     1
 ASSI { 3116}
   (( segid "SH2 " and resid 28   and name HA  ))
   (( segid "SH2 " and resid 29   and name HN  ))
      1.900     0.800     0.800 peak  3116 weight  0.10000E+01 volume  0.16734E-01 ppm1      3.960 ppm2      8.170 CV     1
 ASSI { 3119}
   (( segid "SH2 " and resid 29   and name HN  ))
   (( segid "SH2 " and resid 28   and name HB1 ))
      3.000     1.100     1.100 peak  3119 weight  0.10000E+01 volume  0.53777E-02 ppm1      8.170 ppm2      1.780 CV     1
 ASSI {  682}
   (( segid "SH2 " and resid 30   and name HN  ))
   (( segid "SH2 " and resid 29   and name HN  ))
      3.900     1.900     1.900 peak   682 weight  0.10000E+01 volume  0.10004E-02 ppm1      9.420 ppm2      8.170 CV     1
 ASSI { 4189}
   (( segid "SH2 " and resid 29   and name HN  ))
   (( segid "SH2 " and resid 51   and name HA  ))
      4.300     2.200     1.700 peak  4189 weight  0.10000E+01 volume  0.57682E-03 ppm1      8.170 ppm2      4.220 CV     1
 ASSI { 4186}
   (( segid "SH2 " and resid 22   and name HN  ))
   (  segid "SH2 " and resid 23   and name HD2%)
      5.200     2.500     0.800 peak  4186 weight  0.10000E+01 volume  0.38455E-03 ppm1      7.650 ppm2      0.670 CV     1
 ASSI {  652}
   (( segid "SH2 " and resid 23   and name HN  ))
   (( segid "SH2 " and resid 22   and name HN  ))
      2.500     1.300     1.300 peak   652 weight  0.10000E+01 volume  0.36052E-02 ppm1      7.340 ppm2      7.650 CV     1
 ASSI { 2730}
   (( segid "SH2 " and resid 21   and name HN  ))
   (( segid "SH2 " and resid 22   and name HN  ))
      2.500     1.200     1.200 peak  2730 weight  0.10000E+01 volume  0.42661E-02 ppm1      8.360 ppm2      7.650 CV     1
 ASSI { 2895}
   (( segid "SH2 " and resid 22   and name HN  ))
   (  segid "SH2 " and resid 21   and name HG2%)
      3.500     1.300     1.300 peak  2895 weight  0.10000E+01 volume  0.32747E-02 ppm1      7.650 ppm2      0.980 CV     1
 ASSI { 3233}
   (  segid "SH2 " and resid 21   and name HG1%)
   (( segid "SH2 " and resid 22   and name HN  ))
      3.400     1.500     1.500 peak  3233 weight  0.10000E+01 volume  0.21661E-02 ppm1      1.240 ppm2      7.650 CV     1
 ASSI { 3232}
   (( segid "SH2 " and resid 22   and name HN  ))
   (( segid "SH2 " and resid 20   and name HA  ))
      3.900     2.300     2.100 peak  3232 weight  0.10000E+01 volume  0.51674E-03 ppm1      7.650 ppm2      3.780 CV     1
 ASSI { 2465}
   (( segid "SH2 " and resid 22   and name HN  ))
   (  segid "SH2 " and resid 23   and name HD1%)
      4.900     2.800     1.100 peak  2465 weight  0.10000E+01 volume  0.29022E-03 ppm1      7.650 ppm2      0.000 CV     1
 ASSI { 2208}
   (( segid "SH2 " and resid 22   and name HN  ))
   (( segid "SH2 " and resid 19   and name HN  ))
      3.600     2.000     2.000 peak  2208 weight  0.10000E+01 volume  0.79011E-03 ppm1      7.650 ppm2      7.890 CV     1
 ASSI { 3686}
   (( segid "SH2 " and resid 35   and name HN  ))
   (( segid "SH2 " and resid 34   and name HN  ))
      4.300     2.200     1.700 peak  3686 weight  0.10000E+01 volume  0.58882E-03 ppm1      9.590 ppm2      9.350 CV     1
 ASSI {  640}
   (  segid "SH2 " and resid 33   and name HD1%)
   (( segid "SH2 " and resid 34   and name HN  ))
      3.000     1.700     1.700 peak   640 weight  0.10000E+01 volume  0.14541E-02 ppm1      0.630 ppm2      9.350 CV     1
 ASSI {  631}
   (( segid "SH2 " and resid 33   and name HA  ))
   (( segid "SH2 " and resid 34   and name HN  ))
      2.200     1.200     1.200 peak   631 weight  0.10000E+01 volume  0.48670E-02 ppm1      4.780 ppm2      9.350 CV     1
 ASSI { 3630}
   (( segid "SH2 " and resid 34   and name HN  ))
   (  segid "SH2 " and resid 44   and name HD% )
      5.100     2.200     0.900 peak  3630 weight  0.10000E+01 volume  0.60988E-03 ppm1      9.350 ppm2      7.060 CV     1
 ASSI { 3684}
   (( segid "SH2 " and resid 11   and name HA  ))
   (( segid "SH2 " and resid 34   and name HN  ))
      3.700     1.900     1.900 peak  3684 weight  0.10000E+01 volume  0.10365E-02 ppm1      5.680 ppm2      9.350 CV     1
 ASSI { 3626}
   (( segid "SH2 " and resid 34   and name HB  ))
   (( segid "SH2 " and resid 34   and name HN  ))
      2.600     1.400     1.400 peak  3626 weight  0.10000E+01 volume  0.25416E-02 ppm1      2.710 ppm2      9.350 CV     1
 ASSI {  636}
   (( segid "SH2 " and resid 33   and name HB2 ))
   (( segid "SH2 " and resid 34   and name HN  ))
      2.900     1.400     1.400 peak   636 weight  0.10000E+01 volume  0.26798E-02 ppm1      1.790 ppm2      9.350 CV     1
 OR {  636}
   (( segid "SH2 " and resid 33   and name HB1 ))
   (( segid "SH2 " and resid 34   and name HN  ))
 ASSI {  644}
   (( segid "SH2 " and resid 61   and name HA  ))
   (( segid "SH2 " and resid 62   and name HN  ))
      2.600     1.300     1.300 peak   644 weight  0.10000E+01 volume  0.34249E-02 ppm1      5.080 ppm2      8.590 CV     1
 ASSI {  645}
   (( segid "SH2 " and resid 62   and name HA  ))
   (( segid "SH2 " and resid 62   and name HN  ))
      3.300     1.900     1.900 peak   645 weight  0.10000E+01 volume  0.10215E-02 ppm1      4.630 ppm2      8.590 CV     1
 ASSI {  630}
   (( segid "SH2 " and resid 10   and name HA  ))
   (( segid "SH2 " and resid 34   and name HN  ))
      4.200     2.700     1.800 peak   630 weight  0.10000E+01 volume  0.33047E-03 ppm1      5.060 ppm2      9.350 CV     1
 ASSI { 3624}
   (( segid "SH2 " and resid 34   and name HN  ))
   (  segid "SH2 " and resid 115  and name HG2%)
      5.200     2.500     0.800 peak  3624 weight  0.10000E+01 volume  0.43562E-03 ppm1      9.360 ppm2      0.810 CV     1
 ASSI { 2460}
   (( segid "SH2 " and resid 90   and name HN  ))
   (( segid "SH2 " and resid 86   and name HN  ))
      4.300     2.200     1.700 peak  2460 weight  0.10000E+01 volume  0.58282E-03 ppm1      7.650 ppm2      8.600 CV     1
 ASSI { 2899}
   (( segid "SH2 " and resid 10   and name HB1 ))
   (( segid "SH2 " and resid 34   and name HN  ))
      4.700     2.400     1.300 peak  2899 weight  0.10000E+01 volume  0.46266E-03 ppm1      3.780 ppm2      9.360 CV     1
 ASSI { 3625}
   (( segid "SH2 " and resid 10   and name HB2 ))
   (( segid "SH2 " and resid 34   and name HN  ))
      3.800     2.700     2.200 peak  3625 weight  0.10000E+01 volume  0.30945E-03 ppm1      3.030 ppm2      9.360 CV     1
 ASSI {  660}
   (( segid "SH2 " and resid 90   and name HG1 ))
   (( segid "SH2 " and resid 90   and name HN  ))
      2.600     1.300     1.300 peak   660 weight  0.10000E+01 volume  0.36953E-02 ppm1      1.970 ppm2      7.650 CV     1
 ASSI {  661}
   (( segid "SH2 " and resid 90   and name HB2 ))
   (( segid "SH2 " and resid 90   and name HN  ))
      2.400     1.100     1.100 peak   661 weight  0.10000E+01 volume  0.51974E-02 ppm1      1.630 ppm2      7.660 CV     1
 ASSI { 3890}
   (  segid "SH2 " and resid 91   and name HD% )
   (( segid "SH2 " and resid 90   and name HN  ))
      3.900     2.400     2.100 peak  3890 weight  0.10000E+01 volume  0.45966E-03 ppm1      6.890 ppm2      7.660 CV     1
 ASSI { 3664}
   (( segid "SH2 " and resid 37   and name HN  ))
   (( segid "SH2 " and resid 43   and name HN  ))
      3.800     2.400     2.200 peak  3664 weight  0.10000E+01 volume  0.45966E-03 ppm1      8.050 ppm2      7.770 CV     1
 ASSI {  609}
   (( segid "SH2 " and resid 42   and name HA2 ))
   (( segid "SH2 " and resid 43   and name HN  ))
      3.200     1.700     1.700 peak   609 weight  0.10000E+01 volume  0.13369E-02 ppm1      3.490 ppm2      7.780 CV     1
 ASSI {  612}
   (( segid "SH2 " and resid 43   and name HB2 ))
   (( segid "SH2 " and resid 43   and name HN  ))
      2.600     1.300     1.300 peak   612 weight  0.10000E+01 volume  0.34249E-02 ppm1      2.750 ppm2      7.780 CV     1
 ASSI {  617}
   (( segid "SH2 " and resid 42   and name HN  ))
   (( segid "SH2 " and resid 43   and name HN  ))
      2.700     1.300     1.300 peak   617 weight  0.10000E+01 volume  0.34549E-02 ppm1      8.730 ppm2      7.780 CV     1
 ASSI {  606}
   (( segid "SH2 " and resid 43   and name HA  ))
   (( segid "SH2 " and resid 43   and name HN  ))
      2.900     1.500     1.500 peak   606 weight  0.10000E+01 volume  0.22773E-02 ppm1      5.070 ppm2      7.780 CV     1
 ASSI {  611}
   (( segid "SH2 " and resid 43   and name HB1 ))
   (( segid "SH2 " and resid 43   and name HN  ))
      3.600     1.500     1.500 peak   611 weight  0.10000E+01 volume  0.19889E-02 ppm1      2.980 ppm2      7.780 CV     1
 ASSI { 3324}
   (( segid "SH2 " and resid 43   and name HN  ))
   (( segid "SH2 " and resid 61   and name HB2 ))
      3.700     3.700     2.300 peak  3324 weight  0.10000E+01 volume  0.10425E-02 ppm1      7.780 ppm2      3.870 CV     1
 ASSI { 1826}
   (( segid "SH2 " and resid 43   and name HN  ))
   (  segid "SH2 " and resid 44   and name HD% )
      4.800     3.000     1.200 peak  1826 weight  0.10000E+01 volume  0.21901E-03 ppm1      7.780 ppm2      7.050 CV     1
 ASSI { 3096}
   (( segid "SH2 " and resid 89   and name HN  ))
   (( segid "SH2 " and resid 85   and name HA  ))
      4.600     2.500     1.400 peak  3096 weight  0.10000E+01 volume  0.42060E-03 ppm1      8.270 ppm2      5.330 CV     1
 ASSI { 3356}
   (( segid "SH2 " and resid 89   and name HN  ))
   (( segid "SH2 " and resid 88   and name HB2 ))
      4.200     2.000     1.800 peak  3356 weight  0.10000E+01 volume  0.84423E-03 ppm1      8.280 ppm2      2.710 CV     1
 ASSI {  593}
   (( segid "SH2 " and resid 87   and name HA2 ))
   (( segid "SH2 " and resid 89   and name HN  ))
      4.100     2.000     1.900 peak   593 weight  0.10000E+01 volume  0.91029E-03 ppm1      3.760 ppm2      8.280 CV     1
 ASSI {  596}
   (( segid "SH2 " and resid 89   and name HG1 ))
   (( segid "SH2 " and resid 89   and name HN  ))
      3.100     1.300     1.300 peak   596 weight  0.10000E+01 volume  0.30343E-02 ppm1      2.190 ppm2      8.280 CV     1
 OR {  596}
   (( segid "SH2 " and resid 89   and name HG2 ))
   (( segid "SH2 " and resid 89   and name HN  ))
 ASSI { 3888}
   (( segid "SH2 " and resid 89   and name HN  ))
   (( segid "SH2 " and resid 85   and name HG2 ))
      2.900     2.900     3.100 peak  3888 weight  0.10000E+01 volume  0.30945E-02 ppm1      8.280 ppm2      1.490 CV     1
 OR { 3888}
   (( segid "SH2 " and resid 89   and name HN  ))
   (( segid "SH2 " and resid 85   and name HG1 ))
 ASSI {  591}
   (( segid "SH2 " and resid 89   and name HA  ))
   (( segid "SH2 " and resid 89   and name HN  ))
      2.700     1.300     1.300 peak   591 weight  0.10000E+01 volume  0.34249E-02 ppm1      4.170 ppm2      8.280 CV     1
 ASSI {  590}
   (( segid "SH2 " and resid 88   and name HA  ))
   (( segid "SH2 " and resid 89   and name HN  ))
      3.000     1.400     1.400 peak   590 weight  0.10000E+01 volume  0.23975E-02 ppm1      4.670 ppm2      8.270 CV     1
 ASSI { 3885}
   (( segid "SH2 " and resid 90   and name HN  ))
   (( segid "SH2 " and resid 89   and name HN  ))
      4.100     1.900     1.900 peak  3885 weight  0.10000E+01 volume  0.92835E-03 ppm1      7.650 ppm2      8.270 CV     1
 ASSI {  592}
   (( segid "SH2 " and resid 87   and name HA1 ))
   (( segid "SH2 " and resid 89   and name HN  ))
      3.300     1.700     1.700 peak   592 weight  0.10000E+01 volume  0.14541E-02 ppm1      4.000 ppm2      8.280 CV     1
 ASSI { 2643}
   (( segid "SH2 " and resid 89   and name HN  ))
   (( segid "SH2 " and resid 90   and name HA  ))
      4.500     3.000     1.500 peak  2643 weight  0.10000E+01 volume  0.22412E-03 ppm1      8.280 ppm2      5.180 CV     1
 ASSI {  585}
   (( segid "SH2 " and resid 89   and name HE21))
   (( segid "SH2 " and resid 89   and name HN  ))
      4.700     2.800     1.300 peak   585 weight  0.10000E+01 volume  0.29352E-03 ppm1      7.130 ppm2      8.280 CV     1
 ASSI { 3370}
   (( segid "SH2 " and resid 104  and name HA  ))
   (( segid "SH2 " and resid 104  and name HN  ))
      3.100     1.600     1.600 peak  3370 weight  0.10000E+01 volume  0.16133E-02 ppm1      4.370 ppm2      7.540 CV     1
 ASSI { 3372}
   (( segid "SH2 " and resid 104  and name HN  ))
   (( segid "SH2 " and resid 106  and name HB2 ))
      5.000     3.300     1.000 peak  3372 weight  0.10000E+01 volume  0.17665E-03 ppm1      7.540 ppm2      1.250 CV     1
 ASSI { 3305}
   (  segid "SH2 " and resid 103  and name HG2%)
   (( segid "SH2 " and resid 104  and name HN  ))
      4.100     2.000     1.900 peak  3305 weight  0.10000E+01 volume  0.81417E-03 ppm1      0.460 ppm2      7.530 CV     1
 ASSI {  576}
   (( segid "SH2 " and resid 103  and name HN  ))
   (( segid "SH2 " and resid 104  and name HN  ))
      2.300     1.100     1.100 peak   576 weight  0.10000E+01 volume  0.54077E-02 ppm1      6.750 ppm2      7.530 CV     1
 ASSI { 2090}
   (( segid "SH2 " and resid 102  and name HN  ))
   (( segid "SH2 " and resid 104  and name HN  ))
      3.700     1.900     1.900 peak  2090 weight  0.10000E+01 volume  0.96441E-03 ppm1      7.350 ppm2      7.540 CV     1
 ASSI {  555}
   (( segid "SH2 " and resid 105  and name HN  ))
   (( segid "SH2 " and resid 104  and name HN  ))
      4.700     2.600     1.300 peak   555 weight  0.10000E+01 volume  0.38155E-03 ppm1      8.130 ppm2      7.530 CV     1
 ASSI { 2279}
   (  segid "SH2 " and resid 101  and name HD% )
   (( segid "SH2 " and resid 104  and name HN  ))
      4.200     2.100     1.800 peak  2279 weight  0.10000E+01 volume  0.74506E-03 ppm1      7.040 ppm2      7.530 CV     1
 ASSI {  569}
   (  segid "SH2 " and resid 68   and name HG1%)
   (( segid "SH2 " and resid 68   and name HN  ))
      3.200     1.500     1.500 peak   569 weight  0.10000E+01 volume  0.19348E-02 ppm1      0.870 ppm2      7.840 CV     1
 OR {  569}
   (  segid "SH2 " and resid 68   and name HG2%)
   (( segid "SH2 " and resid 68   and name HN  ))
 ASSI {  568}
   (( segid "SH2 " and resid 68   and name HB  ))
   (( segid "SH2 " and resid 68   and name HN  ))
      2.700     1.500     1.500 peak   568 weight  0.10000E+01 volume  0.21871E-02 ppm1      2.030 ppm2      7.840 CV     1
 ASSI { 3374}
   (  segid "SH2 " and resid 103  and name HD1%)
   (( segid "SH2 " and resid 104  and name HN  ))
      4.900     2.500     1.100 peak  3374 weight  0.10000E+01 volume  0.39356E-03 ppm1      0.690 ppm2      7.530 CV     1
 ASSI {  567}
   (( segid "SH2 " and resid 78   and name HA2 ))
   (( segid "SH2 " and resid 79   and name HN  ))
      2.800     1.300     1.300 peak   567 weight  0.10000E+01 volume  0.32446E-02 ppm1      3.930 ppm2      7.840 CV     1
 OR {  567}
   (( segid "SH2 " and resid 78   and name HA1 ))
   (( segid "SH2 " and resid 79   and name HN  ))
 ASSI {  553}
   (( segid "SH2 " and resid 78   and name HN  ))
   (( segid "SH2 " and resid 79   and name HN  ))
      3.700     2.200     2.200 peak   553 weight  0.10000E+01 volume  0.61888E-03 ppm1      8.400 ppm2      7.840 CV     1
 ASSI { 3335}
   (( segid "SH2 " and resid 40   and name HN  ))
   (( segid "SH2 " and resid 37   and name HN  ))
      5.000     2.800     1.000 peak  3335 weight  0.10000E+01 volume  0.27369E-03 ppm1      7.620 ppm2      8.050 CV     1
 ASSI {  547}
   (( segid "SH2 " and resid 40   and name HA  ))
   (( segid "SH2 " and resid 40   and name HN  ))
      2.900     1.500     1.500 peak   547 weight  0.10000E+01 volume  0.21721E-02 ppm1      4.890 ppm2      7.610 CV     1
 ASSI {  540}
   (( segid "SH2 " and resid 40   and name HB2 ))
   (( segid "SH2 " and resid 40   and name HN  ))
      2.700     1.400     1.400 peak   540 weight  0.10000E+01 volume  0.28390E-02 ppm1      3.260 ppm2      7.620 CV     1
 ASSI { 3336}
   (  segid "SH2 " and resid 39   and name HG2%)
   (( segid "SH2 " and resid 40   and name HN  ))
      4.000     2.000     2.000 peak  3336 weight  0.10000E+01 volume  0.84723E-03 ppm1      1.280 ppm2      7.620 CV     1
 ASSI { 3333}
   (  segid "SH2 " and resid 58   and name HD1%)
   (( segid "SH2 " and resid 40   and name HN  ))
      4.400     2.400     1.600 peak  3333 weight  0.10000E+01 volume  0.48670E-03 ppm1      0.390 ppm2      7.620 CV     1
 ASSI {  544}
   (( segid "SH2 " and resid 40   and name HB1 ))
   (( segid "SH2 " and resid 40   and name HN  ))
      3.300     1.500     1.500 peak   544 weight  0.10000E+01 volume  0.20369E-02 ppm1      4.150 ppm2      7.620 CV     1
 ASSI {  531}
   (( segid "SH2 " and resid 43   and name HN  ))
   (( segid "SH2 " and resid 44   and name HN  ))
      4.400     2.300     1.600 peak   531 weight  0.10000E+01 volume  0.53176E-03 ppm1      7.780 ppm2      8.760 CV     1
 ASSI { 3332}
   (( segid "SH2 " and resid 38   and name HN  ))
   (( segid "SH2 " and resid 40   and name HN  ))
      4.000     2.200     2.000 peak  3332 weight  0.10000E+01 volume  0.63694E-03 ppm1      0.020 ppm2      7.620 CV     1
 ASSI {  515}
   (( segid "SH2 " and resid 37   and name HN  ))
   (( segid "SH2 " and resid 44   and name HN  ))
      4.500     2.800     1.500 peak   515 weight  0.10000E+01 volume  0.27009E-03 ppm1      8.040 ppm2      8.750 CV     1
 ASSI {  518}
   (( segid "SH2 " and resid 44   and name HA  ))
   (( segid "SH2 " and resid 44   and name HN  ))
      3.100     1.800     1.800 peak   518 weight  0.10000E+01 volume  0.11506E-02 ppm1      5.380 ppm2      8.760 CV     1
 ASSI {  528}
   (( segid "SH2 " and resid 59   and name HB  ))
   (( segid "SH2 " and resid 44   and name HN  ))
      3.000     1.700     1.700 peak   528 weight  0.10000E+01 volume  0.14931E-02 ppm1      1.730 ppm2      8.760 CV     1
 ASSI {  516}
   (  segid "SH2 " and resid 44   and name HD% )
   (( segid "SH2 " and resid 44   and name HN  ))
      3.400     1.600     1.600 peak   516 weight  0.10000E+01 volume  0.16463E-02 ppm1      7.050 ppm2      8.760 CV     1
 ASSI { 2576}
   (  segid "SH2 " and resid 59   and name HG2%)
   (( segid "SH2 " and resid 44   and name HN  ))
      3.400     1.700     1.700 peak  2576 weight  0.10000E+01 volume  0.13009E-02 ppm1      0.730 ppm2      8.760 CV     1
 ASSI {  526}
   (( segid "SH2 " and resid 43   and name HB1 ))
   (( segid "SH2 " and resid 44   and name HN  ))
      2.800     1.400     1.400 peak   526 weight  0.10000E+01 volume  0.29292E-02 ppm1      2.980 ppm2      8.760 CV     1
 ASSI {  525}
   (( segid "SH2 " and resid 44   and name HB1 ))
   (( segid "SH2 " and resid 44   and name HN  ))
      3.900     1.800     1.800 peak   525 weight  0.10000E+01 volume  0.12678E-02 ppm1      3.180 ppm2      8.760 CV     1
 ASSI { 2575}
   (  segid "SH2 " and resid 58   and name HD1%)
   (( segid "SH2 " and resid 44   and name HN  ))
      4.000     2.000     2.000 peak  2575 weight  0.10000E+01 volume  0.87423E-03 ppm1      0.390 ppm2      8.760 CV     1
 ASSI { 3709}
   (( segid "SH2 " and resid 60   and name HA  ))
   (( segid "SH2 " and resid 44   and name HN  ))
      3.600     2.100     2.100 peak  3709 weight  0.10000E+01 volume  0.69400E-03 ppm1      4.830 ppm2      8.760 CV     1
 ASSI { 2243}
   (( segid "SH2 " and resid 90   and name HN  ))
   (( segid "SH2 " and resid 91   and name HN  ))
      4.800     2.600     1.200 peak  2243 weight  0.10000E+01 volume  0.37554E-03 ppm1      7.650 ppm2      9.000 CV     1
 ASSI { 2653}
   (( segid "SH2 " and resid 91   and name HN  ))
   (( segid "SH2 " and resid 92   and name HB2 ))
      5.600     3.300     0.400 peak  2653 weight  0.10000E+01 volume  0.17035E-03 ppm1      9.010 ppm2      2.740 CV     1
 OR { 2653}
   (( segid "SH2 " and resid 91   and name HN  ))
   (( segid "SH2 " and resid 92   and name HB1 ))
 ASSI {  517}
   (  segid "SH2 " and resid 44   and name HE% )
   (( segid "SH2 " and resid 44   and name HN  ))
      4.900     2.500     1.100 peak   517 weight  0.10000E+01 volume  0.43562E-03 ppm1      6.830 ppm2      8.760 CV     1
 ASSI { 3172}
   (( segid "SH2 " and resid 83   and name HA  ))
   (( segid "SH2 " and resid 91   and name HN  ))
      4.600     2.600     1.400 peak  3172 weight  0.10000E+01 volume  0.37554E-03 ppm1      4.560 ppm2      9.000 CV     1
 ASSI { 3170}
   (( segid "SH2 " and resid 85   and name HA  ))
   (( segid "SH2 " and resid 91   and name HN  ))
      3.300     1.800     1.800 peak  3170 weight  0.10000E+01 volume  0.12108E-02 ppm1      5.330 ppm2      9.000 CV     1
 ASSI { 3177}
   (  segid "SH2 " and resid 84   and name HD1%)
   (( segid "SH2 " and resid 91   and name HN  ))
      4.300     2.300     1.700 peak  3177 weight  0.10000E+01 volume  0.56481E-03 ppm1      0.700 ppm2      9.010 CV     1
 ASSI {  508}
   (  segid "SH2 " and resid 91   and name HD% )
   (( segid "SH2 " and resid 91   and name HN  ))
      3.200     1.600     1.600 peak   508 weight  0.10000E+01 volume  0.17395E-02 ppm1      6.980 ppm2      9.000 CV     1
 ASSI { 2652}
   (( segid "SH2 " and resid 91   and name HN  ))
   (( segid "SH2 " and resid 83   and name HD1 ))
      4.400     2.800     1.600 peak  2652 weight  0.10000E+01 volume  0.29082E-03 ppm1      9.010 ppm2      3.090 CV     1
 OR { 2652}
   (( segid "SH2 " and resid 91   and name HN  ))
   (( segid "SH2 " and resid 83   and name HD2 ))
 ASSI { 3142}
   (( segid "SH2 " and resid 91   and name HA  ))
   (( segid "SH2 " and resid 91   and name HN  ))
      3.100     1.800     1.800 peak  3142 weight  0.10000E+01 volume  0.12528E-02 ppm1      4.760 ppm2      9.000 CV     1
 ASSI { 4391}
   (( segid "SH2 " and resid 93   and name HN  ))
   (( segid "SH2 " and resid 91   and name HN  ))
      5.100     3.000     0.900 peak  4391 weight  0.10000E+01 volume  0.23193E-03 ppm1      7.380 ppm2      9.000 CV     1
 ASSI { 4194}
   (( segid "SH2 " and resid 45   and name HN  ))
   (  segid "SH2 " and resid 44   and name HE% )
      5.600     2.800     0.400 peak  4194 weight  0.10000E+01 volume  0.26919E-03 ppm1      9.800 ppm2      6.800 CV     1
 ASSI {  479}
   (( segid "SH2 " and resid 34   and name HA  ))
   (( segid "SH2 " and resid 45   and name HN  ))
      4.300     2.300     1.700 peak   479 weight  0.10000E+01 volume  0.53477E-03 ppm1      5.810 ppm2      9.790 CV     1
 ASSI { 3855}
   (( segid "SH2 " and resid 59   and name HB  ))
   (( segid "SH2 " and resid 45   and name HN  ))
      3.600     2.000     2.000 peak  3855 weight  0.10000E+01 volume  0.88929E-03 ppm1      1.700 ppm2      9.790 CV     1
 ASSI {  484}
   (( segid "SH2 " and resid 44   and name HB1 ))
   (( segid "SH2 " and resid 45   and name HN  ))
      2.400     1.400     1.400 peak   484 weight  0.10000E+01 volume  0.26378E-02 ppm1      3.180 ppm2      9.790 CV     1
 ASSI {  491}
   (  segid "SH2 " and resid 45   and name HG1%)
   (( segid "SH2 " and resid 45   and name HN  ))
      3.800     1.800     1.800 peak   491 weight  0.10000E+01 volume  0.11897E-02 ppm1      1.190 ppm2      9.790 CV     1
 ASSI {  487}
   (( segid "SH2 " and resid 45   and name HB  ))
   (( segid "SH2 " and resid 45   and name HN  ))
      2.700     1.500     1.500 peak   487 weight  0.10000E+01 volume  0.20880E-02 ppm1      1.970 ppm2      9.790 CV     1
 ASSI {  480}
   (( segid "SH2 " and resid 44   and name HA  ))
   (( segid "SH2 " and resid 45   and name HN  ))
      2.400     1.200     1.200 peak   480 weight  0.10000E+01 volume  0.43562E-02 ppm1      5.380 ppm2      9.790 CV     1
 ASSI { 3851}
   (  segid "SH2 " and resid 59   and name HD1%)
   (( segid "SH2 " and resid 45   and name HN  ))
      3.500     2.000     2.000 peak  3851 weight  0.10000E+01 volume  0.79611E-03 ppm1      0.720 ppm2      9.790 CV     1
 ASSI {  485}
   (( segid "SH2 " and resid 44   and name HB2 ))
   (( segid "SH2 " and resid 45   and name HN  ))
      3.900     1.700     1.700 peak   485 weight  0.10000E+01 volume  0.14301E-02 ppm1      2.670 ppm2      9.790 CV     1
 ASSI {  482}
   (( segid "SH2 " and resid 45   and name HA  ))
   (( segid "SH2 " and resid 45   and name HN  ))
      2.800     1.700     1.700 peak   482 weight  0.10000E+01 volume  0.13309E-02 ppm1      4.770 ppm2      9.790 CV     1
 ASSI {  476}
   (( segid "SH2 " and resid 37   and name HN  ))
   (( segid "SH2 " and resid 45   and name HN  ))
      4.200     2.300     1.800 peak   476 weight  0.10000E+01 volume  0.51373E-03 ppm1      8.060 ppm2      9.790 CV     1
 ASSI {  481}
   (( segid "SH2 " and resid 36   and name HA  ))
   (( segid "SH2 " and resid 45   and name HN  ))
      3.700     1.900     1.900 peak   481 weight  0.10000E+01 volume  0.10155E-02 ppm1      4.890 ppm2      9.790 CV     1
 ASSI { 3282}
   (  segid "SH2 " and resid 44   and name HD% )
   (( segid "SH2 " and resid 45   and name HN  ))
      3.000     1.700     1.700 peak  3282 weight  0.10000E+01 volume  0.13760E-02 ppm1      7.050 ppm2      9.790 CV     1
 ASSI {  475}
   (( segid "SH2 " and resid 44   and name HN  ))
   (( segid "SH2 " and resid 45   and name HN  ))
      4.800     2.400     1.200 peak   475 weight  0.10000E+01 volume  0.44163E-03 ppm1      8.770 ppm2      9.790 CV     1
 ASSI {  474}
   (( segid "SH2 " and resid 46   and name HN  ))
   (( segid "SH2 " and resid 45   and name HN  ))
      4.100     2.400     1.900 peak   474 weight  0.10000E+01 volume  0.46867E-03 ppm1      9.190 ppm2      9.800 CV     1
 ASSI { 4199}
   (( segid "SH2 " and resid 96   and name HN  ))
   (( segid "SH2 " and resid 91   and name HB1 ))
      5.100     3.100     0.900 peak  4199 weight  0.10000E+01 volume  0.21511E-03 ppm1      7.280 ppm2      3.270 CV     1
 ASSI { 3361}
   (( segid "SH2 " and resid 93   and name HA  ))
   (( segid "SH2 " and resid 96   and name HN  ))
      4.500     2.700     1.500 peak  3361 weight  0.10000E+01 volume  0.32446E-03 ppm1      4.570 ppm2      7.280 CV     1
 ASSI {  459}
   (( segid "SH2 " and resid 98   and name HN  ))
   (( segid "SH2 " and resid 96   and name HN  ))
      3.800     2.100     2.100 peak   459 weight  0.10000E+01 volume  0.66694E-03 ppm1      7.810 ppm2      7.280 CV     1
 ASSI { 4200}
   (( segid "SH2 " and resid 96   and name HN  ))
   (( segid "SH2 " and resid 99   and name HB2 ))
      4.100     1.900     1.900 peak  4200 weight  0.10000E+01 volume  0.95835E-03 ppm1      7.280 ppm2      1.990 CV     1
 OR { 4200}
   (( segid "SH2 " and resid 96   and name HN  ))
   (( segid "SH2 " and resid 99   and name HB1 ))
 ASSI { 4198}
   (( segid "SH2 " and resid 96   and name HN  ))
   (( segid "SH2 " and resid 97   and name HN  ))
      2.500     1.300     1.300 peak  4198 weight  0.10000E+01 volume  0.35150E-02 ppm1      7.280 ppm2      7.000 CV     1
 ASSI {  467}
   (( segid "SH2 " and resid 95   and name HG2 ))
   (( segid "SH2 " and resid 96   and name HN  ))
      3.400     1.500     1.500 peak   467 weight  0.10000E+01 volume  0.23674E-02 ppm1      1.800 ppm2      7.280 CV     1
 OR {  467}
   (( segid "SH2 " and resid 95   and name HG1 ))
   (( segid "SH2 " and resid 96   and name HN  ))
 ASSI {  468}
   (  segid "SH2 " and resid 96   and name HB% )
   (( segid "SH2 " and resid 96   and name HN  ))
      2.200     1.000     1.000 peak   468 weight  0.10000E+01 volume  0.89829E-02 ppm1      1.590 ppm2      7.280 CV     1
 ASSI {  462}
   (( segid "SH2 " and resid 96   and name HA  ))
   (( segid "SH2 " and resid 96   and name HN  ))
      2.500     1.200     1.200 peak   462 weight  0.10000E+01 volume  0.51073E-02 ppm1      4.030 ppm2      7.280 CV     1
 ASSI {  465}
   (( segid "SH2 " and resid 95   and name HB1 ))
   (( segid "SH2 " and resid 96   and name HN  ))
      3.900     1.600     1.600 peak   465 weight  0.10000E+01 volume  0.17876E-02 ppm1      2.360 ppm2      7.280 CV     1
 ASSI {  463}
   (( segid "SH2 " and resid 95   and name HD2 ))
   (( segid "SH2 " and resid 96   and name HN  ))
      2.800     1.500     1.500 peak   463 weight  0.10000E+01 volume  0.23193E-02 ppm1      3.810 ppm2      7.280 CV     1
 OR {  463}
   (( segid "SH2 " and resid 95   and name HD1 ))
   (( segid "SH2 " and resid 96   and name HN  ))
 ASSI { 3237}
   (( segid "SH2 " and resid 84   and name HB2 ))
   (( segid "SH2 " and resid 92   and name HN  ))
      3.700     1.700     1.700 peak  3237 weight  0.10000E+01 volume  0.13309E-02 ppm1      1.580 ppm2      9.140 CV     1
 OR { 3237}
   (( segid "SH2 " and resid 84   and name HB1 ))
   (( segid "SH2 " and resid 92   and name HN  ))
 ASSI {  438}
   (( segid "SH2 " and resid 92   and name HB2 ))
   (( segid "SH2 " and resid 92   and name HN  ))
      2.700     1.300     1.300 peak   438 weight  0.10000E+01 volume  0.31245E-02 ppm1      2.750 ppm2      9.140 CV     1
 OR {  438}
   (( segid "SH2 " and resid 92   and name HB1 ))
   (( segid "SH2 " and resid 92   and name HN  ))
 ASSI {  439}
   (( segid "SH2 " and resid 91   and name HB1 ))
   (( segid "SH2 " and resid 92   and name HN  ))
      2.700     1.600     1.600 peak   439 weight  0.10000E+01 volume  0.16674E-02 ppm1      3.280 ppm2      9.140 CV     1
 ASSI {  442}
   (  segid "SH2 " and resid 91   and name HD% )
   (( segid "SH2 " and resid 92   and name HN  ))
      3.500     1.900     1.900 peak   442 weight  0.10000E+01 volume  0.10635E-02 ppm1      6.980 ppm2      9.140 CV     1
 ASSI { 4204}
   (( segid "SH2 " and resid 27   and name HN  ))
   (  segid "SH2 " and resid 31   and name HG1%)
      4.500     2.000     1.500 peak  4204 weight  0.10000E+01 volume  0.81717E-03 ppm1      7.870 ppm2      1.070 CV     1
 ASSI { 4208}
   (( segid "SH2 " and resid 27   and name HN  ))
   (( segid "SH2 " and resid 25   and name HA  ))
      3.100     1.400     1.400 peak  4208 weight  0.10000E+01 volume  0.24755E-02 ppm1      7.870 ppm2      3.910 CV     1
 ASSI { 3695}
   (( segid "SH2 " and resid 25   and name HN  ))
   (( segid "SH2 " and resid 27   and name HN  ))
      4.100     2.400     1.900 peak  3695 weight  0.10000E+01 volume  0.44464E-03 ppm1      8.660 ppm2      7.870 CV     1
 ASSI { 4209}
   (( segid "SH2 " and resid 26   and name HA2 ))
   (( segid "SH2 " and resid 27   and name HN  ))
      3.200     1.600     1.600 peak  4209 weight  0.10000E+01 volume  0.16013E-02 ppm1      3.720 ppm2      7.870 CV     1
 ASSI { 4207}
   (( segid "SH2 " and resid 27   and name HA  ))
   (( segid "SH2 " and resid 27   and name HN  ))
      2.500     1.200     1.200 peak  4207 weight  0.10000E+01 volume  0.45665E-02 ppm1      4.240 ppm2      7.870 CV     1
 ASSI { 3502}
   (( segid "SH2 " and resid 26   and name HN  ))
   (( segid "SH2 " and resid 27   and name HN  ))
      2.500     1.200     1.200 peak  3502 weight  0.10000E+01 volume  0.39356E-02 ppm1      8.950 ppm2      7.870 CV     1
 ASSI { 2945}
   (( segid "SH2 " and resid 27   and name HN  ))
   (( segid "SH2 " and resid 27   and name HB2 ))
      2.400     1.200     1.200 peak  2945 weight  0.10000E+01 volume  0.48369E-02 ppm1      7.870 ppm2      2.070 CV     1
 OR { 2945}
   (( segid "SH2 " and resid 27   and name HN  ))
   (( segid "SH2 " and resid 27   and name HB1 ))
 ASSI {  448}
   (( segid "SH2 " and resid 27   and name HG2 ))
   (( segid "SH2 " and resid 27   and name HN  ))
      2.400     1.000     1.000 peak   448 weight  0.10000E+01 volume  0.78711E-02 ppm1      2.330 ppm2      7.870 CV     1
 OR {  448}
   (( segid "SH2 " and resid 27   and name HG1 ))
   (( segid "SH2 " and resid 27   and name HN  ))
 ASSI { 3505}
   (  segid "SH2 " and resid 24   and name HD2%)
   (( segid "SH2 " and resid 27   and name HN  ))
      4.700     2.100     1.300 peak  3505 weight  0.10000E+01 volume  0.71805E-03 ppm1      0.550 ppm2      7.870 CV     1
 ASSI {  453}
   (( segid "SH2 " and resid 27   and name HE21))
   (( segid "SH2 " and resid 27   and name HN  ))
      4.500     2.300     1.500 peak   453 weight  0.10000E+01 volume  0.52575E-03 ppm1      7.540 ppm2      7.860 CV     1
 ASSI { 3239}
   (  segid "SH2 " and resid 84   and name HD1%)
   (( segid "SH2 " and resid 92   and name HN  ))
      5.200     2.800     0.800 peak  3239 weight  0.10000E+01 volume  0.27309E-03 ppm1      0.700 ppm2      9.140 CV     1
 ASSI {  415}
   (( segid "SH2 " and resid 102  and name HB2 ))
   (( segid "SH2 " and resid 102  and name HN  ))
      2.500     1.300     1.300 peak   415 weight  0.10000E+01 volume  0.36052E-02 ppm1      1.620 ppm2      7.340 CV     1
 OR {  415}
   (( segid "SH2 " and resid 102  and name HB1 ))
   (( segid "SH2 " and resid 102  and name HN  ))
 ASSI {  413}
   (( segid "SH2 " and resid 101  and name HB2 ))
   (( segid "SH2 " and resid 102  and name HN  ))
      3.200     2.100     2.100 peak   413 weight  0.10000E+01 volume  0.74206E-03 ppm1      2.170 ppm2      7.340 CV     1
 ASSI { 4215}
   (( segid "SH2 " and resid 102  and name HN  ))
   (  segid "SH2 " and resid 103  and name HG2%)
      5.000     2.500     1.000 peak  4215 weight  0.10000E+01 volume  0.42661E-03 ppm1      7.340 ppm2      0.460 CV     1
 ASSI {  408}
   (( segid "SH2 " and resid 102  and name HA  ))
   (( segid "SH2 " and resid 102  and name HN  ))
      2.500     1.300     1.300 peak   408 weight  0.10000E+01 volume  0.30945E-02 ppm1      4.560 ppm2      7.340 CV     1
 ASSI { 3760}
   (  segid "SH2 " and resid 98   and name HD2%)
   (( segid "SH2 " and resid 102  and name HN  ))
      4.200     2.000     1.800 peak  3760 weight  0.10000E+01 volume  0.80817E-03 ppm1     -0.010 ppm2      7.340 CV     1
 ASSI {  409}
   (( segid "SH2 " and resid 100  and name HA  ))
   (( segid "SH2 " and resid 102  and name HN  ))
      3.200     1.800     1.800 peak   409 weight  0.10000E+01 volume  0.12708E-02 ppm1      4.110 ppm2      7.340 CV     1
 ASSI {  406}
   (( segid "SH2 " and resid 103  and name HN  ))
   (( segid "SH2 " and resid 102  and name HN  ))
      2.300     1.100     1.100 peak   406 weight  0.10000E+01 volume  0.54979E-02 ppm1      6.750 ppm2      7.340 CV     1
 ASSI {  416}
   (( segid "SH2 " and resid 102  and name HG1 ))
   (( segid "SH2 " and resid 102  and name HN  ))
      3.800     1.500     1.500 peak   416 weight  0.10000E+01 volume  0.19678E-02 ppm1      1.220 ppm2      7.340 CV     1
 OR {  416}
   (( segid "SH2 " and resid 102  and name HG2 ))
   (( segid "SH2 " and resid 102  and name HN  ))
 ASSI { 3754}
   (( segid "SH2 " and resid 99   and name HA  ))
   (( segid "SH2 " and resid 102  and name HN  ))
      3.000     1.600     1.600 peak  3754 weight  0.10000E+01 volume  0.17305E-02 ppm1      3.690 ppm2      7.340 CV     1
 ASSI {  405}
   (( segid "SH2 " and resid 111  and name HN  ))
   (( segid "SH2 " and resid 102  and name HN  ))
      5.000     2.500     1.000 peak   405 weight  0.10000E+01 volume  0.38756E-03 ppm1      8.940 ppm2      7.340 CV     1
 ASSI {  424}
   (( segid "SH2 " and resid 105  and name HB2 ))
   (( segid "SH2 " and resid 105  and name HN  ))
      2.700     1.600     1.600 peak   424 weight  0.10000E+01 volume  0.18687E-02 ppm1      2.500 ppm2      8.120 CV     1
 ASSI { 4211}
   (( segid "SH2 " and resid 105  and name HN  ))
   (  segid "SH2 " and resid 105  and name HD% )
      3.200     1.600     1.600 peak  4211 weight  0.10000E+01 volume  0.18687E-02 ppm1      8.120 ppm2      6.840 CV     1
 ASSI {  426}
   (( segid "SH2 " and resid 104  and name HB1 ))
   (( segid "SH2 " and resid 105  and name HN  ))
      3.200     1.700     1.700 peak   426 weight  0.10000E+01 volume  0.13099E-02 ppm1      3.000 ppm2      8.120 CV     1
 ASSI {  425}
   (( segid "SH2 " and resid 105  and name HB1 ))
   (( segid "SH2 " and resid 105  and name HN  ))
      3.600     1.300     1.300 peak   425 weight  0.10000E+01 volume  0.30644E-02 ppm1      2.750 ppm2      8.120 CV     1
 ASSI {  395}
   (( segid "SH2 " and resid 97   and name HA  ))
   (( segid "SH2 " and resid 98   and name HN  ))
      3.400     1.900     1.900 peak   395 weight  0.10000E+01 volume  0.95535E-03 ppm1      1.950 ppm2      7.840 CV     1
 ASSI {  393}
   (( segid "SH2 " and resid 95   and name HD1 ))
   (( segid "SH2 " and resid 98   and name HN  ))
      3.700     1.900     1.900 peak   393 weight  0.10000E+01 volume  0.10305E-02 ppm1      3.790 ppm2      7.840 CV     1
 OR {  393}
   (( segid "SH2 " and resid 95   and name HD2 ))
   (( segid "SH2 " and resid 98   and name HN  ))
 ASSI {  403}
   (  segid "SH2 " and resid 98   and name HD1%)
   (( segid "SH2 " and resid 98   and name HN  ))
      3.700     1.600     1.600 peak   403 weight  0.10000E+01 volume  0.17185E-02 ppm1     -0.440 ppm2      7.840 CV     1
 ASSI {  397}
   (( segid "SH2 " and resid 98   and name HB1 ))
   (( segid "SH2 " and resid 98   and name HN  ))
      3.200     1.400     1.400 peak   397 weight  0.10000E+01 volume  0.24395E-02 ppm1      1.470 ppm2      7.840 CV     1
 ASSI { 4221}
   (( segid "SH2 " and resid 98   and name HN  ))
   (  segid "SH2 " and resid 97   and name HD2%)
      4.000     1.700     1.700 peak  4221 weight  0.10000E+01 volume  0.13399E-02 ppm1      7.840 ppm2      0.520 CV     1
 ASSI { 4219}
   (( segid "SH2 " and resid 98   and name HN  ))
   (( segid "SH2 " and resid 98   and name HG  ))
      2.000     1.100     1.100 peak  4219 weight  0.10000E+01 volume  0.56180E-02 ppm1      7.840 ppm2      1.240 CV     1
 ASSI {  400}
   (  segid "SH2 " and resid 97   and name HD1%)
   (( segid "SH2 " and resid 98   and name HN  ))
      3.400     1.400     1.400 peak   400 weight  0.10000E+01 volume  0.24005E-02 ppm1      0.700 ppm2      7.840 CV     1
 ASSI {  396}
   (( segid "SH2 " and resid 97   and name HB1 ))
   (( segid "SH2 " and resid 98   and name HN  ))
      2.600     1.600     1.600 peak   396 weight  0.10000E+01 volume  0.17966E-02 ppm1      1.700 ppm2      7.840 CV     1
 OR {  396}
   (( segid "SH2 " and resid 97   and name HB2 ))
   (( segid "SH2 " and resid 98   and name HN  ))
 ASSI { 3367}
   (( segid "SH2 " and resid 100  and name HN  ))
   (( segid "SH2 " and resid 98   and name HN  ))
      4.300     2.900     1.700 peak  3367 weight  0.10000E+01 volume  0.25657E-03 ppm1      7.510 ppm2      7.840 CV     1
 ASSI {  392}
   (( segid "SH2 " and resid 96   and name HA  ))
   (( segid "SH2 " and resid 98   and name HN  ))
      3.700     2.000     2.000 peak   392 weight  0.10000E+01 volume  0.83217E-03 ppm1      4.030 ppm2      7.840 CV     1
 ASSI { 3797}
   (( segid "SH2 " and resid 111  and name HN  ))
   (( segid "SH2 " and resid 105  and name HA  ))
      4.700     3.000     1.300 peak  3797 weight  0.10000E+01 volume  0.23764E-03 ppm1      8.940 ppm2      3.790 CV     1
 ASSI { 4226}
   (( segid "SH2 " and resid 106  and name HB1 ))
   (( segid "SH2 " and resid 107  and name HN  ))
      2.300     1.300     1.300 peak  4226 weight  0.10000E+01 volume  0.30343E-02 ppm1      1.680 ppm2      8.450 CV     1
 ASSI { 3800}
   (( segid "SH2 " and resid 111  and name HN  ))
   (( segid "SH2 " and resid 101  and name HB2 ))
      5.200     2.600     0.800 peak  3800 weight  0.10000E+01 volume  0.35751E-03 ppm1      8.940 ppm2      2.180 CV     1
 ASSI { 4374}
   (( segid "SH2 " and resid 105  and name HA  ))
   (( segid "SH2 " and resid 107  and name HN  ))
      4.200     2.500     1.800 peak  4374 weight  0.10000E+01 volume  0.38756E-03 ppm1      3.800 ppm2      8.450 CV     1
 ASSI { 4230}
   (( segid "SH2 " and resid 111  and name HN  ))
   (( segid "SH2 " and resid 110  and name HN  ))
      4.600     2.700     1.400 peak  4230 weight  0.10000E+01 volume  0.30644E-03 ppm1      8.940 ppm2      7.230 CV     1
 ASSI { 3801}
   (( segid "SH2 " and resid 102  and name HB2 ))
   (( segid "SH2 " and resid 111  and name HN  ))
      4.900     2.400     1.100 peak  3801 weight  0.10000E+01 volume  0.47468E-03 ppm1      1.610 ppm2      8.940 CV     1
 OR { 3801}
   (( segid "SH2 " and resid 102  and name HB1 ))
   (( segid "SH2 " and resid 111  and name HN  ))
 ASSI { 4377}
   (( segid "SH2 " and resid 107  and name HN  ))
   (( segid "SH2 " and resid 106  and name HB2 ))
      3.600     1.700     1.700 peak  4377 weight  0.10000E+01 volume  0.14841E-02 ppm1      8.450 ppm2      1.240 CV     1
 ASSI { 4227}
   (( segid "SH2 " and resid 21   and name HN  ))
   (  segid "SH2 " and resid 24   and name HD1%)
      4.800     2.300     1.200 peak  4227 weight  0.10000E+01 volume  0.51073E-03 ppm1      8.360 ppm2      0.530 CV     1
 ASSI {  386}
   (( segid "SH2 " and resid 111  and name HG  ))
   (( segid "SH2 " and resid 111  and name HN  ))
      3.600     1.700     1.700 peak   386 weight  0.10000E+01 volume  0.14721E-02 ppm1      0.810 ppm2      8.940 CV     1
 ASSI { 1635}
   (( segid "SH2 " and resid 111  and name HB2 ))
   (( segid "SH2 " and resid 111  and name HN  ))
      2.300     1.400     1.400 peak  1635 weight  0.10000E+01 volume  0.28691E-02 ppm1      1.170 ppm2      8.940 CV     1
 ASSI {  378}
   (( segid "SH2 " and resid 111  and name HA  ))
   (( segid "SH2 " and resid 111  and name HN  ))
      2.800     1.700     1.700 peak   378 weight  0.10000E+01 volume  0.13459E-02 ppm1      4.410 ppm2      8.940 CV     1
 ASSI { 2168}
   (( segid "SH2 " and resid 101  and name HB1 ))
   (( segid "SH2 " and resid 111  and name HN  ))
      4.400     2.200     1.600 peak  2168 weight  0.10000E+01 volume  0.60988E-03 ppm1      3.320 ppm2      8.940 CV     1
 ASSI { 3618}
   (( segid "SH2 " and resid 111  and name HN  ))
   (( segid "SH2 " and resid 110  and name HA  ))
      2.300     1.200     1.200 peak  3618 weight  0.10000E+01 volume  0.42060E-02 ppm1      8.940 ppm2      4.680 CV     1
 ASSI {  385}
   (( segid "SH2 " and resid 111  and name HB1 ))
   (( segid "SH2 " and resid 111  and name HN  ))
      3.200     1.300     1.300 peak   385 weight  0.10000E+01 volume  0.32747E-02 ppm1      1.290 ppm2      8.940 CV     1
 ASSI {  363}
   (( segid "SH2 " and resid 18   and name HA  ))
   (( segid "SH2 " and resid 21   and name HN  ))
      2.900     1.400     1.400 peak   363 weight  0.10000E+01 volume  0.25596E-02 ppm1      3.950 ppm2      8.360 CV     1
 ASSI { 4228}
   (( segid "SH2 " and resid 21   and name HN  ))
   (  segid "SH2 " and resid 54   and name HG2%)
      4.200     2.200     1.800 peak  4228 weight  0.10000E+01 volume  0.60088E-03 ppm1      8.360 ppm2      0.380 CV     1
 ASSI { 4225}
   (( segid "SH2 " and resid 21   and name HN  ))
   (( segid "SH2 " and resid 54   and name HB  ))
      4.600     2.100     1.400 peak  4225 weight  0.10000E+01 volume  0.76911E-03 ppm1      8.360 ppm2      1.940 CV     1
 ASSI { 3420}
   (( segid "SH2 " and resid 21   and name HN  ))
   (( segid "SH2 " and resid 21   and name HB  ))
      2.300     1.100     1.100 peak  3420 weight  0.10000E+01 volume  0.66694E-02 ppm1      8.360 ppm2      2.210 CV     1
 ASSI { 2456}
   (( segid "SH2 " and resid 21   and name HN  ))
   (  segid "SH2 " and resid 21   and name HG2%)
      2.600     1.300     1.300 peak  2456 weight  0.10000E+01 volume  0.31245E-02 ppm1      8.360 ppm2      0.980 CV     1
 ASSI { 1903}
   (( segid "SH2 " and resid 23   and name HN  ))
   (( segid "SH2 " and resid 21   and name HN  ))
      3.900     2.400     2.100 peak  1903 weight  0.10000E+01 volume  0.48670E-03 ppm1      7.350 ppm2      8.360 CV     1
 ASSI {  365}
   (( segid "SH2 " and resid 21   and name HN  ))
   (( segid "SH2 " and resid 21   and name HA  ))
      2.600     1.300     1.300 peak   365 weight  0.10000E+01 volume  0.31846E-02 ppm1      8.360 ppm2      3.500 CV     1
 ASSI { 2316}
   (( segid "SH2 " and resid 111  and name HN  ))
   (( segid "SH2 " and resid 102  and name HD2 ))
      5.400     2.800     0.600 peak  2316 weight  0.10000E+01 volume  0.28962E-03 ppm1      8.940 ppm2      1.860 CV     1
 OR { 2316}
   (( segid "SH2 " and resid 111  and name HN  ))
   (( segid "SH2 " and resid 102  and name HD1 ))
 ASSI { 4370}
   (( segid "SH2 " and resid 110  and name HN  ))
   (( segid "SH2 " and resid 109  and name HN  ))
      4.400     2.100     1.600 peak  4370 weight  0.10000E+01 volume  0.74206E-03 ppm1      7.200 ppm2      8.360 CV     1
 ASSI {  369}
   (  segid "SH2 " and resid 21   and name HG1%)
   (( segid "SH2 " and resid 21   and name HN  ))
      3.200     1.000     1.000 peak   369 weight  0.10000E+01 volume  0.75106E-02 ppm1      1.240 ppm2      8.360 CV     1
 ASSI { 3778}
   (( segid "SH2 " and resid 109  and name HB  ))
   (( segid "SH2 " and resid 109  and name HN  ))
      3.200     1.500     1.500 peak  3778 weight  0.10000E+01 volume  0.20549E-02 ppm1      4.040 ppm2      8.320 CV     1
 ASSI { 1851}
   (( segid "SH2 " and resid 109  and name HA  ))
   (( segid "SH2 " and resid 109  and name HN  ))
      2.800     1.500     1.500 peak  1851 weight  0.10000E+01 volume  0.22833E-02 ppm1      5.150 ppm2      8.320 CV     1
 ASSI { 3774}
   (  segid "SH2 " and resid 105  and name HD% )
   (( segid "SH2 " and resid 109  and name HN  ))
      3.700     2.200     2.200 peak  3774 weight  0.10000E+01 volume  0.59182E-03 ppm1      6.840 ppm2      8.320 CV     1
 ASSI { 4233}
   (( segid "SH2 " and resid 87   and name HN  ))
   (( segid "SH2 " and resid 59   and name HA  ))
      5.600     2.700     0.400 peak  4233 weight  0.10000E+01 volume  0.31545E-03 ppm1      9.360 ppm2      4.480 CV     1
 ASSI {  326}
   (( segid "SH2 " and resid 86   and name HA  ))
   (( segid "SH2 " and resid 87   and name HN  ))
      2.100     1.000     1.000 peak   326 weight  0.10000E+01 volume  0.72705E-02 ppm1      4.840 ppm2      9.360 CV     1
 ASSI {  329}
   (( segid "SH2 " and resid 87   and name HA2 ))
   (( segid "SH2 " and resid 87   and name HN  ))
      2.300     1.100     1.100 peak   329 weight  0.10000E+01 volume  0.57982E-02 ppm1      3.760 ppm2      9.360 CV     1
 ASSI {  334}
   (  segid "SH2 " and resid 86   and name HG2%)
   (( segid "SH2 " and resid 87   and name HN  ))
      4.400     2.200     1.600 peak   334 weight  0.10000E+01 volume  0.60388E-03 ppm1      1.310 ppm2      9.360 CV     1
 ASSI {  328}
   (( segid "SH2 " and resid 87   and name HA1 ))
   (( segid "SH2 " and resid 87   and name HN  ))
      2.800     1.300     1.300 peak   328 weight  0.10000E+01 volume  0.35451E-02 ppm1      4.000 ppm2      9.360 CV     1
 ASSI { 1622}
   (( segid "SH2 " and resid 108  and name HA  ))
   (( segid "SH2 " and resid 109  and name HN  ))
      2.700     1.400     1.400 peak  1622 weight  0.10000E+01 volume  0.28902E-02 ppm1      4.410 ppm2      8.320 CV     1
 ASSI { 3882}
   (( segid "SH2 " and resid 87   and name HN  ))
   (( segid "SH2 " and resid 85   and name HG2 ))
      4.100     2.500     1.900 peak  3882 weight  0.10000E+01 volume  0.41459E-03 ppm1      9.360 ppm2      1.500 CV     1
 OR { 3882}
   (( segid "SH2 " and resid 87   and name HN  ))
   (( segid "SH2 " and resid 85   and name HG1 ))
 ASSI {  309}
   (( segid "SH2 " and resid 101  and name HA  ))
   (( segid "SH2 " and resid 101  and name HN  ))
      2.900     1.600     1.600 peak   309 weight  0.10000E+01 volume  0.18116E-02 ppm1      4.920 ppm2      7.450 CV     1
 ASSI { 3671}
   (( segid "SH2 " and resid 99   and name HA  ))
   (( segid "SH2 " and resid 101  and name HN  ))
      4.000     2.500     2.000 peak  3671 weight  0.10000E+01 volume  0.42360E-03 ppm1      3.690 ppm2      7.460 CV     1
 ASSI { 2875}
   (( segid "SH2 " and resid 101  and name HN  ))
   (( segid "SH2 " and resid 101  and name HB2 ))
      2.300     1.300     1.300 peak  2875 weight  0.10000E+01 volume  0.31846E-02 ppm1      7.450 ppm2      2.180 CV     1
 ASSI {  311}
   (( segid "SH2 " and resid 100  and name HA  ))
   (( segid "SH2 " and resid 101  and name HN  ))
      3.300     1.800     1.800 peak   311 weight  0.10000E+01 volume  0.11596E-02 ppm1      4.120 ppm2      7.460 CV     1
 ASSI { 3669}
   (( segid "SH2 " and resid 101  and name HB1 ))
   (( segid "SH2 " and resid 101  and name HN  ))
      3.500     1.400     1.400 peak  3669 weight  0.10000E+01 volume  0.24455E-02 ppm1      3.330 ppm2      7.450 CV     1
 ASSI { 3892}
   (( segid "SH2 " and resid 101  and name HN  ))
   (  segid "SH2 " and resid 111  and name HD2%)
      4.000     1.700     1.700 peak  3892 weight  0.10000E+01 volume  0.14000E-02 ppm1      7.450 ppm2     -0.010 CV     1
 ASSI { 3688}
   (  segid "SH2 " and resid 97   and name HD2%)
   (( segid "SH2 " and resid 101  and name HN  ))
      4.300     2.400     1.700 peak  3688 weight  0.10000E+01 volume  0.47468E-03 ppm1      0.510 ppm2      7.460 CV     1
 ASSI { 3675}
   (  segid "SH2 " and resid 101  and name HD% )
   (( segid "SH2 " and resid 101  and name HN  ))
      2.400     1.400     1.400 peak  3675 weight  0.10000E+01 volume  0.26168E-02 ppm1      7.030 ppm2      7.450 CV     1
 ASSI { 1399}
   (( segid "SH2 " and resid 25   and name HN  ))
   (( segid "SH2 " and resid 23   and name HN  ))
      3.800     2.100     2.100 peak  1399 weight  0.10000E+01 volume  0.73005E-03 ppm1      8.680 ppm2      7.340 CV     1
 ASSI { 2474}
   (( segid "SH2 " and resid 23   and name HN  ))
   (  segid "SH2 " and resid 24   and name HD1%)
      5.300     2.200     0.700 peak  2474 weight  0.10000E+01 volume  0.58582E-03 ppm1      7.330 ppm2      0.530 CV     1
 ASSI { 1412}
   (  segid "SH2 " and resid 23   and name HD1%)
   (( segid "SH2 " and resid 23   and name HN  ))
      3.600     1.600     1.600 peak  1412 weight  0.10000E+01 volume  0.17425E-02 ppm1      0.000 ppm2      7.330 CV     1
 ASSI { 1403}
   (( segid "SH2 " and resid 23   and name HA  ))
   (( segid "SH2 " and resid 23   and name HN  ))
      2.600     1.200     1.200 peak  1403 weight  0.10000E+01 volume  0.39356E-02 ppm1      4.030 ppm2      7.330 CV     1
 ASSI { 1405}
   (( segid "SH2 " and resid 21   and name HA  ))
   (( segid "SH2 " and resid 23   and name HN  ))
      4.100     2.700     1.900 peak  1405 weight  0.10000E+01 volume  0.32146E-03 ppm1      3.510 ppm2      7.340 CV     1
 ASSI { 4248}
   (( segid "SH2 " and resid 23   and name HN  ))
   (( segid "SH2 " and resid 23   and name HB2 ))
      2.300     1.000     1.000 peak  4248 weight  0.10000E+01 volume  0.72105E-02 ppm1      7.330 ppm2      1.500 CV     1
 OR { 4248}
   (( segid "SH2 " and resid 23   and name HN  ))
   (( segid "SH2 " and resid 23   and name HB1 ))
 ASSI { 3474}
   (( segid "SH2 " and resid 20   and name HA  ))
   (( segid "SH2 " and resid 23   and name HN  ))
      3.200     1.800     1.800 peak  3474 weight  0.10000E+01 volume  0.12108E-02 ppm1      3.780 ppm2      7.340 CV     1
 ASSI { 2472}
   (( segid "SH2 " and resid 23   and name HN  ))
   (( segid "SH2 " and resid 23   and name HG  ))
      2.700     1.400     1.400 peak  2472 weight  0.10000E+01 volume  0.29562E-02 ppm1      7.330 ppm2      0.940 CV     1
 ASSI { 1474}
   (( segid "SH2 " and resid 51   and name HA  ))
   (( segid "SH2 " and resid 51   and name HD21))
      4.500     2.700     1.500 peak  1474 weight  0.10000E+01 volume  0.33949E-03 ppm1      4.200 ppm2      7.590 CV     1
 ASSI { 4246}
   (( segid "SH2 " and resid 23   and name HN  ))
   (( segid "SH2 " and resid 25   and name HB2 ))
      4.100     2.100     1.900 peak  4246 weight  0.10000E+01 volume  0.67294E-03 ppm1      7.340 ppm2      2.120 CV     1
 OR { 4246}
   (( segid "SH2 " and resid 23   and name HN  ))
   (( segid "SH2 " and resid 25   and name HB1 ))
 ASSI { 4258}
   (( segid "SH2 " and resid 26   and name HN  ))
   (( segid "SH2 " and resid 27   and name HG2 ))
      4.100     1.900     1.900 peak  4258 weight  0.10000E+01 volume  0.95835E-03 ppm1      8.960 ppm2      2.360 CV     1
 OR { 4258}
   (( segid "SH2 " and resid 26   and name HN  ))
   (( segid "SH2 " and resid 27   and name HG1 ))
 ASSI { 1468}
   (( segid "SH2 " and resid 50   and name HB1 ))
   (( segid "SH2 " and resid 51   and name HD21))
      4.400     2.300     1.600 peak  1468 weight  0.10000E+01 volume  0.54678E-03 ppm1      2.100 ppm2      7.590 CV     1
 ASSI { 1467}
   (( segid "SH2 " and resid 51   and name HB2 ))
   (( segid "SH2 " and resid 51   and name HD21))
      2.500     1.400     1.400 peak  1467 weight  0.10000E+01 volume  0.26258E-02 ppm1      2.710 ppm2      7.600 CV     1
 ASSI { 1466}
   (( segid "SH2 " and resid 51   and name HB1 ))
   (( segid "SH2 " and resid 51   and name HD21))
      3.500     1.700     1.700 peak  1466 weight  0.10000E+01 volume  0.15412E-02 ppm1      3.010 ppm2      7.600 CV     1
 ASSI { 3499}
   (( segid "SH2 " and resid 25   and name HB1 ))
   (( segid "SH2 " and resid 26   and name HN  ))
      3.600     1.500     1.500 peak  3499 weight  0.10000E+01 volume  0.19588E-02 ppm1      2.140 ppm2      8.960 CV     1
 OR { 3499}
   (( segid "SH2 " and resid 25   and name HB2 ))
   (( segid "SH2 " and resid 26   and name HN  ))
 ASSI {  277}
   (( segid "SH2 " and resid 70   and name HA  ))
   (( segid "SH2 " and resid 71   and name HN  ))
      2.800     1.400     1.400 peak   277 weight  0.10000E+01 volume  0.26138E-02 ppm1      4.450 ppm2      8.100 CV     1
 ASSI {  278}
   (( segid "SH2 " and resid 71   and name HB2 ))
   (( segid "SH2 " and resid 71   and name HN  ))
      3.800     2.200     2.200 peak   278 weight  0.10000E+01 volume  0.59488E-03 ppm1      3.780 ppm2      8.100 CV     1
 ASSI { 2735}
   (( segid "SH2 " and resid 16   and name HA  ))
   (( segid "SH2 " and resid 18   and name HN  ))
      3.400     1.400     1.400 peak  2735 weight  0.10000E+01 volume  0.29322E-02 ppm1      4.380 ppm2      8.570 CV     1
 ASSI {  256}
   (( segid "SH2 " and resid 18   and name HN  ))
   (( segid "SH2 " and resid 21   and name HB  ))
      3.700     3.700     2.300 peak   256 weight  0.10000E+01 volume  0.13369E-02 ppm1      8.570 ppm2      2.210 CV     1
 ASSI {  253}
   (( segid "SH2 " and resid 17   and name HA  ))
   (( segid "SH2 " and resid 18   and name HN  ))
      3.300     1.800     1.800 peak   253 weight  0.10000E+01 volume  0.11957E-02 ppm1      3.500 ppm2      8.570 CV     1
 ASSI {  242}
   (( segid "SH2 " and resid 17   and name HN  ))
   (( segid "SH2 " and resid 18   and name HN  ))
      2.600     1.400     1.400 peak   242 weight  0.10000E+01 volume  0.29382E-02 ppm1      9.240 ppm2      8.570 CV     1
 ASSI {  255}
   (( segid "SH2 " and resid 18   and name HG1 ))
   (( segid "SH2 " and resid 18   and name HN  ))
      3.600     1.600     1.600 peak   255 weight  0.10000E+01 volume  0.19017E-02 ppm1      2.430 ppm2      8.570 CV     1
 OR {  255}
   (( segid "SH2 " and resid 18   and name HG2 ))
   (( segid "SH2 " and resid 18   and name HN  ))
 ASSI {  257}
   (( segid "SH2 " and resid 18   and name HB2 ))
   (( segid "SH2 " and resid 18   and name HN  ))
      2.000     1.000     1.000 peak   257 weight  0.10000E+01 volume  0.79311E-02 ppm1      2.050 ppm2      8.570 CV     1
 ASSI {  259}
   (( segid "SH2 " and resid 17   and name HB2 ))
   (( segid "SH2 " and resid 18   and name HN  ))
      3.000     1.800     1.800 peak   259 weight  0.10000E+01 volume  0.12408E-02 ppm1      1.250 ppm2      8.570 CV     1
 ASSI {  246}
   (( segid "SH2 " and resid 19   and name HN  ))
   (( segid "SH2 " and resid 18   and name HN  ))
      2.500     1.300     1.300 peak   246 weight  0.10000E+01 volume  0.34549E-02 ppm1      7.880 ppm2      8.570 CV     1
 ASSI {  252}
   (( segid "SH2 " and resid 18   and name HA  ))
   (( segid "SH2 " and resid 18   and name HN  ))
      2.500     1.200     1.200 peak   252 weight  0.10000E+01 volume  0.51073E-02 ppm1      3.950 ppm2      8.570 CV     1
 ASSI {  254}
   (( segid "SH2 " and resid 17   and name HD2 ))
   (( segid "SH2 " and resid 18   and name HN  ))
      4.500     2.200     1.500 peak   254 weight  0.10000E+01 volume  0.64294E-03 ppm1      2.850 ppm2      8.570 CV     1
 OR {  254}
   (( segid "SH2 " and resid 17   and name HD1 ))
   (( segid "SH2 " and resid 18   and name HN  ))
 ASSI {  258}
   (( segid "SH2 " and resid 17   and name HB1 ))
   (( segid "SH2 " and resid 18   and name HN  ))
      2.700     1.300     1.300 peak   258 weight  0.10000E+01 volume  0.33347E-02 ppm1      1.580 ppm2      8.570 CV     1
 ASSI {  251}
   (( segid "SH2 " and resid 16   and name HB1 ))
   (( segid "SH2 " and resid 18   and name HN  ))
      3.300     1.900     1.900 peak   251 weight  0.10000E+01 volume  0.10425E-02 ppm1      4.070 ppm2      8.570 CV     1
 OR {  251}
   (( segid "SH2 " and resid 16   and name HB2 ))
   (( segid "SH2 " and resid 18   and name HN  ))
 ASSI { 4261}
   (( segid "SH2 " and resid 18   and name HN  ))
   (  segid "SH2 " and resid 21   and name HG2%)
      4.400     2.800     1.600 peak  4261 weight  0.10000E+01 volume  0.29622E-03 ppm1      8.580 ppm2      0.980 CV     1
 ASSI { 2932}
   (  segid "SH2 " and resid 23   and name HD1%)
   (( segid "SH2 " and resid 24   and name HN  ))
      4.700     2.200     1.300 peak  2932 weight  0.10000E+01 volume  0.61588E-03 ppm1      0.000 ppm2      7.400 CV     1
 ASSI {  226}
   (( segid "SH2 " and resid 23   and name HA  ))
   (( segid "SH2 " and resid 24   and name HN  ))
      3.200     1.700     1.700 peak   226 weight  0.10000E+01 volume  0.14931E-02 ppm1      4.030 ppm2      7.400 CV     1
 ASSI { 2213}
   (  segid "SH2 " and resid 23   and name HD2%)
   (( segid "SH2 " and resid 24   and name HN  ))
      5.000     2.200     1.000 peak  2213 weight  0.10000E+01 volume  0.60388E-03 ppm1      0.670 ppm2      7.400 CV     1
 ASSI { 4265}
   (( segid "SH2 " and resid 24   and name HN  ))
   (( segid "SH2 " and resid 27   and name HG1 ))
      4.200     2.300     1.800 peak  4265 weight  0.10000E+01 volume  0.57082E-03 ppm1      7.390 ppm2      2.350 CV     1
 OR { 4265}
   (( segid "SH2 " and resid 24   and name HN  ))
   (( segid "SH2 " and resid 27   and name HG2 ))
 ASSI { 2150}
   (  segid "SH2 " and resid 24   and name HD2%)
   (( segid "SH2 " and resid 24   and name HN  ))
      2.600     2.600     3.400 peak  2150 weight  0.10000E+01 volume  0.30644E-02 ppm1      0.550 ppm2      7.400 CV     1
 ASSI {  233}
   (( segid "SH2 " and resid 24   and name HB1 ))
   (( segid "SH2 " and resid 24   and name HN  ))
      3.200     1.300     1.300 peak   233 weight  0.10000E+01 volume  0.35451E-02 ppm1      1.710 ppm2      7.400 CV     1
 ASSI { 4267}
   (( segid "SH2 " and resid 24   and name HN  ))
   (  segid "SH2 " and resid 31   and name HG1%)
      3.800     3.800     2.200 peak  4267 weight  0.10000E+01 volume  0.22352E-02 ppm1      7.400 ppm2      1.060 CV     1
 ASSI {  234}
   (( segid "SH2 " and resid 24   and name HB2 ))
   (( segid "SH2 " and resid 24   and name HN  ))
      2.100     1.200     1.200 peak   234 weight  0.10000E+01 volume  0.47167E-02 ppm1      1.490 ppm2      7.400 CV     1
 ASSI { 2479}
   (( segid "SH2 " and resid 25   and name HB2 ))
   (( segid "SH2 " and resid 24   and name HN  ))
      4.500     2.100     1.500 peak  2479 weight  0.10000E+01 volume  0.73606E-03 ppm1      2.140 ppm2      7.400 CV     1
 OR { 2479}
   (( segid "SH2 " and resid 25   and name HB1 ))
   (( segid "SH2 " and resid 24   and name HN  ))
 ASSI { 3313}
   (( segid "SH2 " and resid 24   and name HN  ))
   (( segid "SH2 " and resid 54   and name HB  ))
      4.400     2.100     1.600 peak  3313 weight  0.10000E+01 volume  0.74506E-03 ppm1      7.400 ppm2      1.930 CV     1
 ASSI { 2385}
   (( segid "SH2 " and resid 10   and name HE3 ))
   (( segid "SH2 " and resid 10   and name HN  ))
      4.000     2.400     2.000 peak  2385 weight  0.10000E+01 volume  0.46567E-03 ppm1      7.490 ppm2      6.740 CV     1
 ASSI {  220}
   (( segid "SH2 " and resid 117  and name HB2 ))
   (( segid "SH2 " and resid 117  and name HN  ))
      3.700     2.300     2.300 peak   220 weight  0.10000E+01 volume  0.57382E-03 ppm1      1.680 ppm2      8.090 CV     1
 OR {  220}
   (( segid "SH2 " and resid 117  and name HB1 ))
   (( segid "SH2 " and resid 117  and name HN  ))
 ASSI { 3968}
   (( segid "SH2 " and resid 10   and name HN  ))
   (( segid "SH2 " and resid 9    and name HA  ))
      3.300     1.400     1.400 peak  3968 weight  0.10000E+01 volume  0.25596E-02 ppm1      6.740 ppm2      4.150 CV     1
 ASSI { 2040}
   (( segid "SH2 " and resid 10   and name HD1 ))
   (( segid "SH2 " and resid 10   and name HN  ))
      2.900     1.600     1.600 peak  2040 weight  0.10000E+01 volume  0.18266E-02 ppm1      7.380 ppm2      6.740 CV     1
 ASSI {  201}
   (( segid "SH2 " and resid 10   and name HB2 ))
   (( segid "SH2 " and resid 10   and name HN  ))
      3.600     1.900     1.900 peak   201 weight  0.10000E+01 volume  0.10215E-02 ppm1      3.010 ppm2      6.740 CV     1
 ASSI {  221}
   (( segid "SH2 " and resid 117  and name HG1 ))
   (( segid "SH2 " and resid 117  and name HN  ))
      4.400     2.400     1.600 peak   221 weight  0.10000E+01 volume  0.44163E-03 ppm1      1.500 ppm2      8.090 CV     1
 OR {  221}
   (( segid "SH2 " and resid 117  and name HG2 ))
   (( segid "SH2 " and resid 117  and name HN  ))
 ASSI { 3970}
   (( segid "SH2 " and resid 10   and name HN  ))
   (( segid "SH2 " and resid 11   and name HB2 ))
      4.500     2.100     1.500 peak  3970 weight  0.10000E+01 volume  0.68200E-03 ppm1      6.740 ppm2      2.470 CV     1
 ASSI { 3971}
   (( segid "SH2 " and resid 10   and name HN  ))
   (( segid "SH2 " and resid 114  and name HB2 ))
      4.400     2.400     1.600 peak  3971 weight  0.10000E+01 volume  0.48369E-03 ppm1      6.750 ppm2      1.860 CV     1
 OR { 3971}
   (( segid "SH2 " and resid 10   and name HN  ))
   (( segid "SH2 " and resid 114  and name HB1 ))
 ASSI { 2148}
   (( segid "SH2 " and resid 99   and name HN  ))
   (( segid "SH2 " and resid 100  and name HB1 ))
      4.500     2.400     1.500 peak  2148 weight  0.10000E+01 volume  0.47468E-03 ppm1      7.780 ppm2      2.950 CV     1
 ASSI {  207}
   (( segid "SH2 " and resid 97   and name HN  ))
   (( segid "SH2 " and resid 99   and name HN  ))
      3.600     2.200     2.200 peak   207 weight  0.10000E+01 volume  0.64894E-03 ppm1      7.010 ppm2      7.780 CV     1
 ASSI {  208}
   (( segid "SH2 " and resid 98   and name HA  ))
   (( segid "SH2 " and resid 99   and name HN  ))
      3.400     2.000     2.000 peak   208 weight  0.10000E+01 volume  0.85023E-03 ppm1      3.370 ppm2      7.780 CV     1
 ASSI { 1998}
   (( segid "SH2 " and resid 99   and name HN  ))
   (( segid "SH2 " and resid 98   and name HG  ))
      3.900     1.800     1.800 peak  1998 weight  0.10000E+01 volume  0.10906E-02 ppm1      7.780 ppm2      1.240 CV     1
 ASSI {  216}
   (( segid "SH2 " and resid 98   and name HB2 ))
   (( segid "SH2 " and resid 99   and name HN  ))
      2.700     1.700     1.700 peak   216 weight  0.10000E+01 volume  0.15172E-02 ppm1      0.690 ppm2      7.780 CV     1
 ASSI {  213}
   (( segid "SH2 " and resid 98   and name HB1 ))
   (( segid "SH2 " and resid 99   and name HN  ))
      3.300     1.500     1.500 peak   213 weight  0.10000E+01 volume  0.21150E-02 ppm1      1.470 ppm2      7.780 CV     1
 ASSI {  186}
   (  segid "SH2 " and resid 98   and name HD1%)
   (( segid "SH2 " and resid 99   and name HN  ))
      4.600     2.200     1.400 peak   186 weight  0.10000E+01 volume  0.63088E-03 ppm1     -0.440 ppm2      7.780 CV     1
 ASSI {  185}
   (  segid "SH2 " and resid 98   and name HD2%)
   (( segid "SH2 " and resid 99   and name HN  ))
      4.600     2.100     1.400 peak   185 weight  0.10000E+01 volume  0.75706E-03 ppm1     -0.010 ppm2      7.780 CV     1
 ASSI { 1787}
   (( segid "SH2 " and resid 27   and name HG1 ))
   (( segid "SH2 " and resid 27   and name HE22))
      3.600     1.600     1.600 peak  1787 weight  0.10000E+01 volume  0.18176E-02 ppm1      2.340 ppm2      6.980 CV     1
 OR { 1787}
   (( segid "SH2 " and resid 27   and name HG2 ))
   (( segid "SH2 " and resid 27   and name HE22))
 ASSI { 1783}
   (( segid "SH2 " and resid 27   and name HG1 ))
   (( segid "SH2 " and resid 27   and name HE21))
      2.800     1.600     1.600 peak  1783 weight  0.10000E+01 volume  0.18777E-02 ppm1      2.340 ppm2      7.550 CV     1
 OR { 1783}
   (( segid "SH2 " and resid 27   and name HG2 ))
   (( segid "SH2 " and resid 27   and name HE21))
 ASSI { 1784}
   (( segid "SH2 " and resid 27   and name HB1 ))
   (( segid "SH2 " and resid 27   and name HE21))
      3.800     2.500     2.200 peak  1784 weight  0.10000E+01 volume  0.43562E-03 ppm1      2.090 ppm2      7.540 CV     1
 OR { 1784}
   (( segid "SH2 " and resid 27   and name HB2 ))
   (( segid "SH2 " and resid 27   and name HE21))
 ASSI { 3922}
   (( segid "SH2 " and resid 32   and name HN  ))
   (( segid "SH2 " and resid 113  and name HN  ))
      3.400     1.800     1.800 peak  3922 weight  0.10000E+01 volume  0.11656E-02 ppm1      7.880 ppm2      7.210 CV     1
 ASSI { 3280}
   (  segid "SH2 " and resid 112  and name HD1%)
   (( segid "SH2 " and resid 113  and name HN  ))
      3.900     1.300     1.300 peak  3280 weight  0.10000E+01 volume  0.31846E-02 ppm1      0.810 ppm2      7.210 CV     1
 ASSI {  166}
   (( segid "SH2 " and resid 113  and name HB1 ))
   (( segid "SH2 " and resid 113  and name HN  ))
      3.600     1.800     1.800 peak   166 weight  0.10000E+01 volume  0.12738E-02 ppm1      2.070 ppm2      7.210 CV     1
 ASSI {  152}
   (( segid "SH2 " and resid 112  and name HN  ))
   (( segid "SH2 " and resid 113  and name HN  ))
      2.300     1.200     1.200 peak   152 weight  0.10000E+01 volume  0.45665E-02 ppm1      9.100 ppm2      7.210 CV     1
 ASSI {  160}
   (( segid "SH2 " and resid 112  and name HA  ))
   (( segid "SH2 " and resid 113  and name HN  ))
      3.100     1.400     1.400 peak   160 weight  0.10000E+01 volume  0.24695E-02 ppm1      4.390 ppm2      7.210 CV     1
 ASSI { 4287}
   (( segid "SH2 " and resid 113  and name HN  ))
   (  segid "SH2 " and resid 32   and name HD% )
      3.000     1.600     1.600 peak  4287 weight  0.10000E+01 volume  0.18446E-02 ppm1      7.210 ppm2      6.740 CV     1
 ASSI { 4286}
   (( segid "SH2 " and resid 113  and name HN  ))
   (  segid "SH2 " and resid 32   and name HE% )
      2.900     1.600     1.600 peak  4286 weight  0.10000E+01 volume  0.17365E-02 ppm1      7.210 ppm2      7.620 CV     1
 ASSI { 4283}
   (( segid "SH2 " and resid 112  and name HB  ))
   (( segid "SH2 " and resid 113  and name HN  ))
      2.100     1.100     1.100 peak  4283 weight  0.10000E+01 volume  0.67900E-02 ppm1      1.590 ppm2      7.210 CV     1
 ASSI { 2891}
   (( segid "SH2 " and resid 113  and name HN  ))
   (( segid "SH2 " and resid 113  and name HB2 ))
      2.400     1.200     1.200 peak  2891 weight  0.10000E+01 volume  0.41459E-02 ppm1      7.210 ppm2      2.180 CV     1
 ASSI { 2038}
   (  segid "SH2 " and resid 112  and name HG2%)
   (( segid "SH2 " and resid 113  and name HN  ))
      3.200     1.300     1.300 peak  2038 weight  0.10000E+01 volume  0.31846E-02 ppm1      0.910 ppm2      7.210 CV     1
 ASSI {  158}
   (( segid "SH2 " and resid 113  and name HA  ))
   (( segid "SH2 " and resid 113  and name HN  ))
      2.700     1.500     1.500 peak   158 weight  0.10000E+01 volume  0.22292E-02 ppm1      5.000 ppm2      7.210 CV     1
 ASSI { 4281}
   (( segid "SH2 " and resid 113  and name HN  ))
   (( segid "SH2 " and resid 114  and name HD2 ))
      4.400     2.200     1.600 peak  4281 weight  0.10000E+01 volume  0.66094E-03 ppm1      7.210 ppm2      3.730 CV     1
 ASSI { 4279}
   (( segid "SH2 " and resid 113  and name HN  ))
   (( segid "SH2 " and resid 30   and name HA1 ))
      4.100     2.300     1.900 peak  4279 weight  0.10000E+01 volume  0.53477E-03 ppm1      7.210 ppm2      4.770 CV     1
 ASSI { 4292}
   (( segid "SH2 " and resid 33   and name HN  ))
   (  segid "SH2 " and resid 20   and name HB% )
      4.500     2.400     1.500 peak  4292 weight  0.10000E+01 volume  0.48069E-03 ppm1      9.340 ppm2      1.420 CV     1
 ASSI { 3568}
   (  segid "SH2 " and resid 46   and name HD2%)
   (( segid "SH2 " and resid 33   and name HN  ))
      4.600     2.400     1.400 peak  3568 weight  0.10000E+01 volume  0.44764E-03 ppm1      0.370 ppm2      9.340 CV     1
 ASSI { 3705}
   (  segid "SH2 " and resid 48   and name HG1%)
   (( segid "SH2 " and resid 33   and name HN  ))
      4.100     1.700     1.700 peak  3705 weight  0.10000E+01 volume  0.13009E-02 ppm1      0.900 ppm2      9.340 CV     1
 ASSI { 4290}
   (( segid "SH2 " and resid 33   and name HN  ))
   (  segid "SH2 " and resid 32   and name HE% )
      4.200     1.900     1.800 peak  4290 weight  0.10000E+01 volume  0.94635E-03 ppm1      9.340 ppm2      7.620 CV     1
 ASSI { 3567}
   (  segid "SH2 " and resid 46   and name HD1%)
   (( segid "SH2 " and resid 33   and name HN  ))
      2.700     1.300     1.300 peak  3567 weight  0.10000E+01 volume  0.37554E-02 ppm1      0.560 ppm2      9.340 CV     1
 ASSI { 3394}
   (( segid "SH2 " and resid 33   and name HA  ))
   (( segid "SH2 " and resid 33   and name HN  ))
      2.800     1.600     1.600 peak  3394 weight  0.10000E+01 volume  0.16043E-02 ppm1      4.780 ppm2      9.340 CV     1
 ASSI { 3393}
   (( segid "SH2 " and resid 48   and name HA  ))
   (( segid "SH2 " and resid 33   and name HN  ))
      3.800     1.800     1.800 peak  3393 weight  0.10000E+01 volume  0.12318E-02 ppm1      5.000 ppm2      9.340 CV     1
 ASSI { 3564}
   (( segid "SH2 " and resid 32   and name HB2 ))
   (( segid "SH2 " and resid 33   and name HN  ))
      2.600     1.500     1.500 peak  3564 weight  0.10000E+01 volume  0.23253E-02 ppm1      2.660 ppm2      9.340 CV     1
 ASSI { 3844}
   (  segid "SH2 " and resid 32   and name HD% )
   (( segid "SH2 " and resid 33   and name HN  ))
      3.100     1.600     1.600 peak  3844 weight  0.10000E+01 volume  0.16013E-02 ppm1      6.750 ppm2      9.340 CV     1
 ASSI { 3565}
   (( segid "SH2 " and resid 32   and name HB1 ))
   (( segid "SH2 " and resid 33   and name HN  ))
      3.400     1.300     1.300 peak  3565 weight  0.10000E+01 volume  0.31846E-02 ppm1      3.250 ppm2      9.340 CV     1
 ASSI {  145}
   (( segid "SH2 " and resid 33   and name HG  ))
   (( segid "SH2 " and resid 33   and name HN  ))
      2.600     1.400     1.400 peak   145 weight  0.10000E+01 volume  0.26018E-02 ppm1      1.630 ppm2      9.340 CV     1
 ASSI { 3563}
   (( segid "SH2 " and resid 46   and name HA  ))
   (( segid "SH2 " and resid 33   and name HN  ))
      4.300     2.400     1.700 peak  3563 weight  0.10000E+01 volume  0.48369E-03 ppm1      5.150 ppm2      9.340 CV     1
 ASSI { 1823}
   (  segid "SH2 " and resid 58   and name HD1%)
   (( segid "SH2 " and resid 37   and name HN  ))
      5.200     2.800     0.800 peak  1823 weight  0.10000E+01 volume  0.29893E-03 ppm1      0.400 ppm2      8.060 CV     1
 ASSI { 1822}
   (  segid "SH2 " and resid 44   and name HD% )
   (( segid "SH2 " and resid 37   and name HN  ))
      4.400     2.100     1.600 peak  1822 weight  0.10000E+01 volume  0.68200E-03 ppm1      7.050 ppm2      8.060 CV     1
 ASSI {  109}
   (( segid "SH2 " and resid 44   and name HA  ))
   (( segid "SH2 " and resid 37   and name HN  ))
      2.900     1.400     1.400 peak   109 weight  0.10000E+01 volume  0.26829E-02 ppm1      5.380 ppm2      8.060 CV     1
 ASSI {  114}
   (( segid "SH2 " and resid 36   and name HB1 ))
   (( segid "SH2 " and resid 37   and name HN  ))
      3.200     1.600     1.600 peak   114 weight  0.10000E+01 volume  0.17936E-02 ppm1      2.770 ppm2      8.060 CV     1
 ASSI {  113}
   (( segid "SH2 " and resid 37   and name HB1 ))
   (( segid "SH2 " and resid 37   and name HN  ))
      2.400     1.400     1.400 peak   113 weight  0.10000E+01 volume  0.26378E-02 ppm1      3.250 ppm2      8.060 CV     1
 ASSI { 3035}
   (( segid "SH2 " and resid 36   and name HA  ))
   (( segid "SH2 " and resid 37   and name HN  ))
      2.300     1.100     1.100 peak  3035 weight  0.10000E+01 volume  0.54979E-02 ppm1      4.890 ppm2      8.060 CV     1
 ASSI { 2562}
   (  segid "SH2 " and resid 45   and name HG2%)
   (( segid "SH2 " and resid 37   and name HN  ))
      3.100     1.700     1.700 peak  2562 weight  0.10000E+01 volume  0.14962E-02 ppm1      0.900 ppm2      8.060 CV     1
 ASSI {  111}
   (( segid "SH2 " and resid 37   and name HA  ))
   (( segid "SH2 " and resid 37   and name HN  ))
      2.800     1.600     1.600 peak   111 weight  0.10000E+01 volume  0.18116E-02 ppm1      4.470 ppm2      8.060 CV     1
 ASSI { 4295}
   (( segid "SH2 " and resid 110  and name HN  ))
   (( segid "SH2 " and resid 105  and name HA  ))
      4.300     2.600     1.700 peak  4295 weight  0.10000E+01 volume  0.34249E-03 ppm1      7.230 ppm2      3.790 CV     1
 ASSI { 3783}
   (  segid "SH2 " and resid 105  and name HE% )
   (( segid "SH2 " and resid 110  and name HN  ))
      3.900     2.200     2.100 peak  3783 weight  0.10000E+01 volume  0.58582E-03 ppm1      6.810 ppm2      7.240 CV     1
 ASSI { 1368}
   (( segid "SH2 " and resid 38   and name HN  ))
   (( segid "SH2 " and resid 37   and name HN  ))
      5.100     2.800     0.900 peak  1368 weight  0.10000E+01 volume  0.28811E-03 ppm1      0.030 ppm2      8.060 CV     1
 ASSI { 4296}
   (( segid "SH2 " and resid 110  and name HN  ))
   (  segid "SH2 " and resid 109  and name HG2%)
      3.800     1.900     1.900 peak  4296 weight  0.10000E+01 volume  0.10665E-02 ppm1      7.240 ppm2      1.230 CV     1
 ASSI {   96}
   (( segid "SH2 " and resid 110  and name HA  ))
   (( segid "SH2 " and resid 110  and name HN  ))
      2.700     1.300     1.300 peak    96 weight  0.10000E+01 volume  0.31846E-02 ppm1      4.710 ppm2      7.240 CV     1
 ASSI {   98}
   (( segid "SH2 " and resid 109  and name HB  ))
   (( segid "SH2 " and resid 110  and name HN  ))
      4.000     1.800     1.800 peak    98 weight  0.10000E+01 volume  0.12558E-02 ppm1      4.040 ppm2      7.230 CV     1
 ASSI { 4303}
   (( segid "SH2 " and resid 42   and name HN  ))
   (( segid "SH2 " and resid 41   and name HG2 ))
      4.500     2.000     1.500 peak  4303 weight  0.10000E+01 volume  0.82017E-03 ppm1      8.730 ppm2      1.880 CV     1
 OR { 4303}
   (( segid "SH2 " and resid 42   and name HN  ))
   (( segid "SH2 " and resid 41   and name HG1 ))
 ASSI {   88}
   (( segid "SH2 " and resid 41   and name HB2 ))
   (( segid "SH2 " and resid 42   and name HN  ))
      3.600     1.900     1.900 peak    88 weight  0.10000E+01 volume  0.91929E-03 ppm1      2.240 ppm2      8.730 CV     1
 ASSI {   75}
   (( segid "SH2 " and resid 99   and name HA  ))
   (( segid "SH2 " and resid 103  and name HN  ))
      4.500     2.900     1.500 peak    75 weight  0.10000E+01 volume  0.24725E-03 ppm1      3.690 ppm2      6.760 CV     1
 ASSI {   82}
   (  segid "SH2 " and resid 103  and name HG2%)
   (( segid "SH2 " and resid 103  and name HN  ))
      3.700     1.800     1.800 peak    82 weight  0.10000E+01 volume  0.11687E-02 ppm1      0.460 ppm2      6.750 CV     1
 ASSI {   78}
   (( segid "SH2 " and resid 102  and name HD1 ))
   (( segid "SH2 " and resid 103  and name HN  ))
      4.100     1.600     1.600 peak    78 weight  0.10000E+01 volume  0.17245E-02 ppm1      1.870 ppm2      6.760 CV     1
 OR {   78}
   (( segid "SH2 " and resid 102  and name HD2 ))
   (( segid "SH2 " and resid 103  and name HN  ))
 ASSI {   72}
   (( segid "SH2 " and resid 102  and name HA  ))
   (( segid "SH2 " and resid 103  and name HN  ))
      3.200     1.900     1.900 peak    72 weight  0.10000E+01 volume  0.91929E-03 ppm1      4.560 ppm2      6.750 CV     1
 ASSI {   71}
   (( segid "SH2 " and resid 101  and name HA  ))
   (( segid "SH2 " and resid 103  and name HN  ))
      3.600     1.800     1.800 peak    71 weight  0.10000E+01 volume  0.11146E-02 ppm1      4.920 ppm2      6.750 CV     1
 ASSI {   81}
   (  segid "SH2 " and resid 103  and name HD1%)
   (( segid "SH2 " and resid 103  and name HN  ))
      4.400     2.200     1.600 peak    81 weight  0.10000E+01 volume  0.62788E-03 ppm1      0.700 ppm2      6.750 CV     1
 ASSI { 4304}
   (( segid "SH2 " and resid 103  and name HN  ))
   (( segid "SH2 " and resid 104  and name HB1 ))
      5.600     2.800     0.400 peak  4304 weight  0.10000E+01 volume  0.27279E-03 ppm1      6.750 ppm2      3.000 CV     1
 ASSI { 4307}
   (( segid "SH2 " and resid 103  and name HN  ))
   (  segid "SH2 " and resid 110  and name HG2%)
      4.100     2.500     1.900 peak  4307 weight  0.10000E+01 volume  0.40558E-03 ppm1      6.760 ppm2      0.130 CV     1
 ASSI { 4309}
   (( segid "SH2 " and resid 103  and name HN  ))
   (( segid "SH2 " and resid 101  and name HB1 ))
      5.100     2.800     0.900 peak  4309 weight  0.10000E+01 volume  0.27099E-03 ppm1      6.760 ppm2      3.310 CV     1
 ASSI { 1448}
   (( segid "SH2 " and resid 89   and name HG2 ))
   (( segid "SH2 " and resid 89   and name HE22))
      4.000     1.800     1.800 peak  1448 weight  0.10000E+01 volume  0.12438E-02 ppm1      2.190 ppm2      6.340 CV     1
 OR { 1448}
   (( segid "SH2 " and resid 89   and name HG1 ))
   (( segid "SH2 " and resid 89   and name HE22))
 ASSI { 1449}
   (( segid "SH2 " and resid 89   and name HB1 ))
   (( segid "SH2 " and resid 89   and name HE22))
      4.200     2.100     1.800 peak  1449 weight  0.10000E+01 volume  0.72105E-03 ppm1      1.940 ppm2      6.330 CV     1
 ASSI { 1447}
   (( segid "SH2 " and resid 89   and name HA  ))
   (( segid "SH2 " and resid 89   and name HE22))
      5.600     2.900     0.400 peak  1447 weight  0.10000E+01 volume  0.25296E-03 ppm1      4.160 ppm2      6.330 CV     1
 ASSI { 1442}
   (( segid "SH2 " and resid 18   and name HG2 ))
   (( segid "SH2 " and resid 18   and name HE22))
      4.700     2.400     1.300 peak  1442 weight  0.10000E+01 volume  0.45665E-03 ppm1      2.430 ppm2      6.870 CV     1
 OR { 1442}
   (( segid "SH2 " and resid 18   and name HG1 ))
   (( segid "SH2 " and resid 18   and name HE22))
 ASSI { 1443}
   (( segid "SH2 " and resid 18   and name HG2 ))
   (( segid "SH2 " and resid 18   and name HE21))
      3.300     2.000     2.000 peak  1443 weight  0.10000E+01 volume  0.86823E-03 ppm1      2.420 ppm2      7.490 CV     1
 OR { 1443}
   (( segid "SH2 " and resid 18   and name HG1 ))
   (( segid "SH2 " and resid 18   and name HE21))
 ASSI { 1424}
   (( segid "SH2 " and resid 26   and name HN  ))
   (( segid "SH2 " and resid 25   and name HE21))
      4.100     2.300     1.900 peak  1424 weight  0.10000E+01 volume  0.50773E-03 ppm1      8.970 ppm2      7.350 CV     1
 ASSI { 1425}
   (( segid "SH2 " and resid 26   and name HN  ))
   (( segid "SH2 " and resid 25   and name HE22))
      4.800     2.600     1.200 peak  1425 weight  0.10000E+01 volume  0.34850E-03 ppm1      8.950 ppm2      6.800 CV     1
 ASSI { 1430}
   (( segid "SH2 " and resid 25   and name HB2 ))
   (( segid "SH2 " and resid 25   and name HE22))
      3.700     1.500     1.500 peak  1430 weight  0.10000E+01 volume  0.21691E-02 ppm1      2.140 ppm2      6.800 CV     1
 OR { 1430}
   (( segid "SH2 " and resid 25   and name HB1 ))
   (( segid "SH2 " and resid 25   and name HE22))
 ASSI { 1429}
   (( segid "SH2 " and resid 25   and name HG2 ))
   (( segid "SH2 " and resid 25   and name HE22))
      4.400     2.200     1.600 peak  1429 weight  0.10000E+01 volume  0.64294E-03 ppm1      2.380 ppm2      6.800 CV     1
 OR { 1429}
   (( segid "SH2 " and resid 25   and name HG1 ))
   (( segid "SH2 " and resid 25   and name HE22))
 ASSI { 1427}
   (( segid "SH2 " and resid 25   and name HA  ))
   (( segid "SH2 " and resid 25   and name HE22))
      4.900     2.800     1.100 peak  1427 weight  0.10000E+01 volume  0.28992E-03 ppm1      3.900 ppm2      6.810 CV     1
 ASSI { 2047}
   (  segid "SH2 " and resid 21   and name HG1%)
   (( segid "SH2 " and resid 25   and name HE21))
      4.000     2.800     2.000 peak  2047 weight  0.10000E+01 volume  0.29923E-03 ppm1      0.970 ppm2      7.340 CV     1
 ASSI { 1421}
   (( segid "SH2 " and resid 25   and name HB2 ))
   (( segid "SH2 " and resid 25   and name HE21))
      3.000     1.300     1.300 peak  1421 weight  0.10000E+01 volume  0.32446E-02 ppm1      2.140 ppm2      7.350 CV     1
 OR { 1421}
   (( segid "SH2 " and resid 25   and name HB1 ))
   (( segid "SH2 " and resid 25   and name HE21))
 ASSI { 1420}
   (( segid "SH2 " and resid 25   and name HG2 ))
   (( segid "SH2 " and resid 25   and name HE21))
      3.200     1.800     1.800 peak  1420 weight  0.10000E+01 volume  0.10845E-02 ppm1      2.380 ppm2      7.350 CV     1
 OR { 1420}
   (( segid "SH2 " and resid 25   and name HG1 ))
   (( segid "SH2 " and resid 25   and name HE21))
 ASSI { 2048}
   (  segid "SH2 " and resid 21   and name HG1%)
   (( segid "SH2 " and resid 25   and name HE22))
      4.300     2.500     1.700 peak  2048 weight  0.10000E+01 volume  0.38756E-03 ppm1      0.970 ppm2      6.800 CV     1
 ASSI { 1446}
   (( segid "SH2 " and resid 25   and name HN  ))
   (( segid "SH2 " and resid 25   and name HE21))
      5.100     3.100     0.900 peak  1446 weight  0.10000E+01 volume  0.21330E-03 ppm1      8.690 ppm2      7.350 CV     1
 ASSI { 2598}
   (( segid "SH2 " and resid 51   and name HB1 ))
   (( segid "SH2 " and resid 52   and name HN  ))
      4.800     2.500     1.200 peak  2598 weight  0.10000E+01 volume  0.38455E-03 ppm1      3.010 ppm2     10.280 CV     1
 ASSI { 4317}
   (( segid "SH2 " and resid 52   and name HA  ))
   (( segid "SH2 " and resid 52   and name HN  ))
      2.300     1.100     1.100 peak  4317 weight  0.10000E+01 volume  0.63694E-02 ppm1      4.300 ppm2     10.270 CV     1
 ASSI { 3868}
   (( segid "SH2 " and resid 29   and name HD2 ))
   (( segid "SH2 " and resid 52   and name HN  ))
      3.800     2.100     2.100 peak  3868 weight  0.10000E+01 volume  0.71200E-03 ppm1      7.060 ppm2     10.280 CV     1
 ASSI { 2599}
   (( segid "SH2 " and resid 51   and name HB2 ))
   (( segid "SH2 " and resid 52   and name HN  ))
      4.900     2.700     1.100 peak  2599 weight  0.10000E+01 volume  0.31846E-03 ppm1      2.710 ppm2     10.270 CV     1
 ASSI { 3651}
   (( segid "SH2 " and resid 50   and name HN  ))
   (( segid "SH2 " and resid 52   and name HN  ))
      4.100     2.400     1.900 peak  3651 weight  0.10000E+01 volume  0.46867E-03 ppm1      8.510 ppm2     10.270 CV     1
 ASSI { 2236}
   (  segid "SH2 " and resid 58   and name HD1%)
   (( segid "SH2 " and resid 60   and name HD21))
      4.800     2.700     1.200 peak  2236 weight  0.10000E+01 volume  0.31545E-03 ppm1      0.400 ppm2      7.430 CV     1
 ASSI { 1480}
   (( segid "SH2 " and resid 60   and name HB2 ))
   (( segid "SH2 " and resid 60   and name HD22))
      4.600     2.400     1.400 peak  1480 weight  0.10000E+01 volume  0.44163E-03 ppm1      2.550 ppm2      6.710 CV     1
 ASSI { 1481}
   (( segid "SH2 " and resid 60   and name HB1 ))
   (( segid "SH2 " and resid 60   and name HD22))
      4.200     2.000     1.800 peak  1481 weight  0.10000E+01 volume  0.89829E-03 ppm1      2.870 ppm2      6.710 CV     1
 ASSI { 1479}
   (( segid "SH2 " and resid 60   and name HB2 ))
   (( segid "SH2 " and resid 60   and name HD21))
      3.600     2.500     2.400 peak  1479 weight  0.10000E+01 volume  0.41760E-03 ppm1      2.540 ppm2      7.420 CV     1
 ASSI { 1482}
   (( segid "SH2 " and resid 60   and name HB1 ))
   (( segid "SH2 " and resid 60   and name HD21))
      3.500     1.900     1.900 peak  1482 weight  0.10000E+01 volume  0.96741E-03 ppm1      2.880 ppm2      7.430 CV     1
 ASSI { 1478}
   (  segid "SH2 " and resid 58   and name HG2%)
   (( segid "SH2 " and resid 60   and name HD21))
      3.800     2.100     2.100 peak  1478 weight  0.10000E+01 volume  0.69100E-03 ppm1      0.990 ppm2      7.430 CV     1
 ASSI { 1477}
   (  segid "SH2 " and resid 58   and name HG2%)
   (( segid "SH2 " and resid 60   and name HD22))
      3.300     1.800     1.800 peak  1477 weight  0.10000E+01 volume  0.11807E-02 ppm1      0.990 ppm2      6.710 CV     1
 ASSI { 2238}
   (( segid "SH2 " and resid 61   and name HN  ))
   (( segid "SH2 " and resid 60   and name HD21))
      4.400     2.200     1.600 peak  2238 weight  0.10000E+01 volume  0.57982E-03 ppm1      9.080 ppm2      7.430 CV     1
 ASSI { 2235}
   (  segid "SH2 " and resid 58   and name HD1%)
   (( segid "SH2 " and resid 60   and name HD22))
      4.300     2.400     1.700 peak  2235 weight  0.10000E+01 volume  0.44163E-03 ppm1      0.400 ppm2      6.710 CV     1
 ASSI { 1550}
   (( segid "SH2 " and resid 63   and name HA2 ))
   (( segid "SH2 " and resid 63   and name HN  ))
      2.700     1.300     1.300 peak  1550 weight  0.10000E+01 volume  0.34850E-02 ppm1      4.150 ppm2      8.290 CV     1
 OR { 1550}
   (( segid "SH2 " and resid 63   and name HA1 ))
   (( segid "SH2 " and resid 63   and name HN  ))
 ASSI { 1553}
   (( segid "SH2 " and resid 62   and name HN  ))
   (( segid "SH2 " and resid 63   and name HN  ))
      4.500     2.200     1.500 peak  1553 weight  0.10000E+01 volume  0.59182E-03 ppm1      8.600 ppm2      8.280 CV     1
 ASSI { 1551}
   (( segid "SH2 " and resid 62   and name HB2 ))
   (( segid "SH2 " and resid 63   and name HN  ))
      4.100     1.800     1.800 peak  1551 weight  0.10000E+01 volume  0.11086E-02 ppm1      3.880 ppm2      8.290 CV     1
 OR { 1551}
   (( segid "SH2 " and resid 62   and name HB1 ))
   (( segid "SH2 " and resid 63   and name HN  ))
 ASSI { 3915}
   (( segid "SH2 " and resid 39   and name HA  ))
   (( segid "SH2 " and resid 39   and name HN  ))
      3.000     1.600     1.600 peak  3915 weight  0.10000E+01 volume  0.17515E-02 ppm1      4.420 ppm2      7.470 CV     1
 ASSI { 4323}
   (( segid "SH2 " and resid 39   and name HN  ))
   (( segid "SH2 " and resid 38   and name HB2 ))
      3.700     2.300     2.300 peak  4323 weight  0.10000E+01 volume  0.55580E-03 ppm1      7.470 ppm2      4.010 CV     1
 OR { 4323}
   (( segid "SH2 " and resid 39   and name HN  ))
   (( segid "SH2 " and resid 38   and name HB1 ))
 ASSI { 1511}
   (( segid "SH2 " and resid 38   and name HN  ))
   (( segid "SH2 " and resid 39   and name HN  ))
      3.000     1.800     1.800 peak  1511 weight  0.10000E+01 volume  0.12017E-02 ppm1      0.020 ppm2      7.470 CV     1
 ASSI { 3294}
   (( segid "SH2 " and resid 93   and name HN  ))
   (( segid "SH2 " and resid 97   and name HA  ))
      4.700     2.600     1.300 peak  3294 weight  0.10000E+01 volume  0.35451E-03 ppm1      7.390 ppm2      1.940 CV     1
 ASSI {   51}
   (  segid "SH2 " and resid 84   and name HD1%)
   (( segid "SH2 " and resid 93   and name HN  ))
      3.700     1.800     1.800 peak    51 weight  0.10000E+01 volume  0.12678E-02 ppm1      0.690 ppm2      7.390 CV     1
 ASSI { 3386}
   (  segid "SH2 " and resid 91   and name HD% )
   (( segid "SH2 " and resid 93   and name HN  ))
      4.100     1.700     1.700 peak  3386 weight  0.10000E+01 volume  0.13880E-02 ppm1      6.980 ppm2      7.390 CV     1
 ASSI {   48}
   (( segid "SH2 " and resid 91   and name HB2 ))
   (( segid "SH2 " and resid 93   and name HN  ))
      3.600     1.600     1.600 peak    48 weight  0.10000E+01 volume  0.18446E-02 ppm1      2.430 ppm2      7.390 CV     1
 ASSI {   47}
   (( segid "SH2 " and resid 93   and name HB2 ))
   (( segid "SH2 " and resid 93   and name HN  ))
      3.100     1.600     1.600 peak    47 weight  0.10000E+01 volume  0.18386E-02 ppm1      4.030 ppm2      7.390 CV     1
 OR {   47}
   (( segid "SH2 " and resid 93   and name HB1 ))
   (( segid "SH2 " and resid 93   and name HN  ))
 ASSI { 3384}
   (( segid "SH2 " and resid 91   and name HB1 ))
   (( segid "SH2 " and resid 93   and name HN  ))
      2.500     1.400     1.400 peak  3384 weight  0.10000E+01 volume  0.28902E-02 ppm1      3.280 ppm2      7.390 CV     1
 ASSI {   57}
   (( segid "SH2 " and resid 93   and name HA  ))
   (( segid "SH2 " and resid 93   and name HN  ))
      2.800     1.500     1.500 peak    57 weight  0.10000E+01 volume  0.23163E-02 ppm1      4.570 ppm2      7.390 CV     1
 ASSI {   55}
   (( segid "SH2 " and resid 94   and name HN  ))
   (( segid "SH2 " and resid 93   and name HN  ))
      4.100     2.400     1.900 peak    55 weight  0.10000E+01 volume  0.46567E-03 ppm1      9.370 ppm2      7.390 CV     1
 ASSI {   56}
   (( segid "SH2 " and resid 92   and name HN  ))
   (( segid "SH2 " and resid 93   and name HN  ))
      2.600     1.300     1.300 peak    56 weight  0.10000E+01 volume  0.32146E-02 ppm1      9.140 ppm2      7.390 CV     1
 ASSI { 3240}
   (( segid "SH2 " and resid 93   and name HN  ))
   (( segid "SH2 " and resid 84   and name HG  ))
      4.200     2.800     1.800 peak  3240 weight  0.10000E+01 volume  0.28210E-03 ppm1      7.390 ppm2      1.200 CV     1
 ASSI { 2850}
   (( segid "SH2 " and resid 17   and name HB1 ))
   (( segid "SH2 " and resid 17   and name HE  ))
      4.000     3.100     2.000 peak  2850 weight  0.10000E+01 volume  0.20039E-03 ppm1      1.580 ppm2      7.650 CV     1
 ASSI { 2848}
   (( segid "SH2 " and resid 17   and name HD2 ))
   (( segid "SH2 " and resid 17   and name HE  ))
      3.900     2.800     2.100 peak  2848 weight  0.10000E+01 volume  0.29442E-03 ppm1      2.850 ppm2      7.670 CV     1
 OR { 2848}
   (( segid "SH2 " and resid 17   and name HD1 ))
   (( segid "SH2 " and resid 17   and name HE  ))
 ASSI { 2849}
   (( segid "SH2 " and resid 17   and name HG1 ))
   (( segid "SH2 " and resid 17   and name HE  ))
      4.500     3.000     1.500 peak  2849 weight  0.10000E+01 volume  0.22743E-03 ppm1      2.060 ppm2      7.680 CV     1
 OR { 2849}
   (( segid "SH2 " and resid 17   and name HG2 ))
   (( segid "SH2 " and resid 17   and name HE  ))
 ASSI {   44}
   (( segid "SH2 " and resid 77   and name HB2 ))
   (( segid "SH2 " and resid 78   and name HN  ))
      4.700     2.600     1.300 peak    44 weight  0.10000E+01 volume  0.34850E-03 ppm1      2.280 ppm2      8.380 CV     1
 OR {   44}
   (( segid "SH2 " and resid 77   and name HB1 ))
   (( segid "SH2 " and resid 78   and name HN  ))
 ASSI { 3099}
   (( segid "SH2 " and resid 29   and name HD2 ))
   (( segid "SH2 " and resid 30   and name HN  ))
      4.500     2.000     1.500 peak  3099 weight  0.10000E+01 volume  0.88629E-03 ppm1      7.060 ppm2      9.420 CV     1
 ASSI { 3634}
   (  segid "SH2 " and resid 109  and name HG2%)
   (( segid "SH2 " and resid 30   and name HN  ))
      3.200     1.600     1.600 peak  3634 weight  0.10000E+01 volume  0.15742E-02 ppm1      1.230 ppm2      9.430 CV     1
 ASSI { 3524}
   (( segid "SH2 " and resid 112  and name HB  ))
   (( segid "SH2 " and resid 30   and name HN  ))
      5.800     3.000     0.200 peak  3524 weight  0.10000E+01 volume  0.23343E-03 ppm1      1.600 ppm2      9.430 CV     1
 ASSI { 3642}
   (( segid "SH2 " and resid 49   and name HB2 ))
   (( segid "SH2 " and resid 30   and name HN  ))
      4.600     2.100     1.400 peak  3642 weight  0.10000E+01 volume  0.69100E-03 ppm1      3.970 ppm2      9.430 CV     1
 ASSI { 3636}
   (( segid "SH2 " and resid 29   and name HB1 ))
   (( segid "SH2 " and resid 30   and name HN  ))
      3.300     1.700     1.700 peak  3636 weight  0.10000E+01 volume  0.13549E-02 ppm1      3.140 ppm2      9.430 CV     1
 OR { 3636}
   (( segid "SH2 " and resid 29   and name HB2 ))
   (( segid "SH2 " and resid 30   and name HN  ))
 ASSI { 3641}
   (( segid "SH2 " and resid 29   and name HA  ))
   (( segid "SH2 " and resid 30   and name HN  ))
      2.300     1.100     1.100 peak  3641 weight  0.10000E+01 volume  0.52575E-02 ppm1      4.600 ppm2      9.430 CV     1
 ASSI { 4341}
   (( segid "SH2 " and resid 30   and name HN  ))
   (( segid "SH2 " and resid 31   and name HB  ))
      4.800     2.300     1.200 peak  4341 weight  0.10000E+01 volume  0.53176E-03 ppm1      9.420 ppm2      2.120 CV     1
 ASSI { 4340}
   (( segid "SH2 " and resid 30   and name HN  ))
   (( segid "SH2 " and resid 48   and name HB  ))
      4.000     2.500     2.000 peak  4340 weight  0.10000E+01 volume  0.42060E-03 ppm1      9.430 ppm2      1.830 CV     1
 ASSI {   22}
   (( segid "SH2 " and resid 78   and name HA2 ))
   (( segid "SH2 " and resid 78   and name HN  ))
      2.900     1.500     1.500 peak    22 weight  0.10000E+01 volume  0.22953E-02 ppm1      3.930 ppm2      8.370 CV     1
 OR {   22}
   (( segid "SH2 " and resid 78   and name HA1 ))
   (( segid "SH2 " and resid 78   and name HN  ))
 ASSI {   21}
   (( segid "SH2 " and resid 77   and name HA  ))
   (( segid "SH2 " and resid 78   and name HN  ))
      2.700     1.400     1.400 peak    21 weight  0.10000E+01 volume  0.25026E-02 ppm1      4.420 ppm2      8.360 CV     1
 ASSI { 1535}
   (( segid "SH2 " and resid 50   and name HB1 ))
   (( segid "SH2 " and resid 50   and name HN  ))
      3.900     2.100     2.100 peak  1535 weight  0.10000E+01 volume  0.66694E-03 ppm1      2.120 ppm2      8.510 CV     1
 ASSI { 3860}
   (  segid "SH2 " and resid 54   and name HG1%)
   (( segid "SH2 " and resid 50   and name HN  ))
      4.700     2.200     1.300 peak  3860 weight  0.10000E+01 volume  0.63088E-03 ppm1      0.370 ppm2      8.510 CV     1
 ASSI { 4342}
   (( segid "SH2 " and resid 50   and name HN  ))
   (( segid "SH2 " and resid 48   and name HB  ))
      2.900     2.900     3.100 peak  4342 weight  0.10000E+01 volume  0.29682E-02 ppm1      8.510 ppm2      1.850 CV     1
 ASSI { 3858}
   (( segid "SH2 " and resid 55   and name HN  ))
   (( segid "SH2 " and resid 50   and name HN  ))
      3.500     1.800     1.800 peak  3858 weight  0.10000E+01 volume  0.12408E-02 ppm1      9.030 ppm2      8.510 CV     1
 ASSI { 3735}
   (( segid "SH2 " and resid 50   and name HA  ))
   (( segid "SH2 " and resid 50   and name HN  ))
      2.900     1.500     1.500 peak  3735 weight  0.10000E+01 volume  0.19979E-02 ppm1      4.180 ppm2      8.510 CV     1
 ASSI { 4351}
   (( segid "SH2 " and resid 10   and name HE1 ))
   (( segid "SH2 " and resid 95   and name HB2 ))
      4.700     2.100     1.300 peak  4351 weight  0.10000E+01 volume  0.77211E-03 ppm1     10.530 ppm2      2.030 CV     1
 ASSI { 4350}
   (( segid "SH2 " and resid 10   and name HE1 ))
   (( segid "SH2 " and resid 95   and name HB1 ))
      4.000     2.400     2.000 peak  4350 weight  0.10000E+01 volume  0.44163E-03 ppm1     10.540 ppm2      2.360 CV     1
 ASSI { 2361}
   (( segid "SH2 " and resid 10   and name HB2 ))
   (( segid "SH2 " and resid 10   and name HE1 ))
      4.600     2.300     1.400 peak  2361 weight  0.10000E+01 volume  0.54378E-03 ppm1      3.020 ppm2     10.530 CV     1
 ASSI { 2354}
   (( segid "SH2 " and resid 10   and name HD1 ))
   (( segid "SH2 " and resid 10   and name HE1 ))
      2.200     0.900     0.900 peak  2354 weight  0.10000E+01 volume  0.13880E-01 ppm1      7.390 ppm2     10.540 CV     1
 ASSI { 3665}
   (( segid "SH2 " and resid 10   and name HB1 ))
   (( segid "SH2 " and resid 10   and name HE1 ))
      4.300     2.100     1.700 peak  3665 weight  0.10000E+01 volume  0.74806E-03 ppm1      3.810 ppm2     10.530 CV     1
 ASSI { 3047}
   (( segid "SH2 " and resid 10   and name HN  ))
   (( segid "SH2 " and resid 10   and name HE1 ))
      3.900     2.200     2.100 peak  3047 weight  0.10000E+01 volume  0.62488E-03 ppm1      6.750 ppm2     10.540 CV     1
 ASSI { 3963}
   (( segid "SH2 " and resid 10   and name HE1 ))
   (( segid "SH2 " and resid 10   and name HH2 ))
      4.500     2.200     1.500 peak  3963 weight  0.10000E+01 volume  0.57682E-03 ppm1     10.530 ppm2      6.950 CV     1
 ASSI { 4359}
   (( segid "SH2 " and resid 12   and name HE1 ))
   (( segid "SH2 " and resid 12   and name HE3 ))
      4.000     2.500     2.000 peak  4359 weight  0.10000E+01 volume  0.41459E-03 ppm1     10.880 ppm2      7.610 CV     1
 ASSI { 3439}
   (  segid "SH2 " and resid 115  and name HG1%)
   (( segid "SH2 " and resid 12   and name HE1 ))
      3.600     1.300     1.300 peak  3439 weight  0.10000E+01 volume  0.37554E-02 ppm1      0.820 ppm2     10.880 CV     1
 ASSI { 2374}
   (( segid "SH2 " and resid 12   and name HZ2 ))
   (( segid "SH2 " and resid 12   and name HE1 ))
      2.600     1.200     1.200 peak  2374 weight  0.10000E+01 volume  0.46867E-02 ppm1      7.150 ppm2     10.880 CV     1
 ASSI { 2379}
   (( segid "SH2 " and resid 12   and name HN  ))
   (( segid "SH2 " and resid 12   and name HE1 ))
      4.200     1.900     1.800 peak  2379 weight  0.10000E+01 volume  0.96135E-03 ppm1      9.340 ppm2     10.880 CV     1
 ASSI { 2375}
   (( segid "SH2 " and resid 12   and name HD1 ))
   (( segid "SH2 " and resid 12   and name HE1 ))
      2.300     1.100     1.100 peak  2375 weight  0.10000E+01 volume  0.64894E-02 ppm1      7.460 ppm2     10.880 CV     1
 ASSI { 3449}
   (( segid "SH2 " and resid 33   and name HB2 ))
   (( segid "SH2 " and resid 12   and name HE1 ))
      3.000     1.500     1.500 peak  3449 weight  0.10000E+01 volume  0.23013E-02 ppm1      1.800 ppm2     10.880 CV     1
 OR { 3449}
   (( segid "SH2 " and resid 33   and name HB1 ))
   (( segid "SH2 " and resid 12   and name HE1 ))
 ASSI { 3953}
   (( segid "SH2 " and resid 12   and name HE1 ))
   (  segid "SH2 " and resid 33   and name HD2%)
      4.100     2.100     1.900 peak  3953 weight  0.10000E+01 volume  0.70300E-03 ppm1     10.880 ppm2      0.640 CV     1
 ASSI { 2332}
   (( segid "SH2 " and resid 10   and name HA  ))
   (( segid "SH2 " and resid 12   and name HE1 ))
      3.100     1.800     1.800 peak  2332 weight  0.10000E+01 volume  0.12017E-02 ppm1      5.070 ppm2     10.880 CV     1
 ASSI { 3954}
   (( segid "SH2 " and resid 12   and name HE1 ))
   (( segid "SH2 " and resid 115  and name HN  ))
      4.900     2.400     1.100 peak  3954 weight  0.10000E+01 volume  0.46567E-03 ppm1     10.880 ppm2      8.250 CV     1
 ASSI {    3}
   (  segid "SH2 " and resid 11   and name HD% )
   (( segid "SH2 " and resid 13   and name HN  ))
      3.900     2.100     2.100 peak     3 weight  0.10000E+01 volume  0.70900E-03 ppm1      7.050 ppm2      5.280 CV     1
 ASSI {    2}
   (  segid "SH2 " and resid 11   and name HE% )
   (( segid "SH2 " and resid 13   and name HN  ))
      3.900     2.100     2.100 peak     2 weight  0.10000E+01 volume  0.73306E-03 ppm1      6.980 ppm2      5.280 CV     1
 ASSI {    4}
   (( segid "SH2 " and resid 14   and name HN  ))
   (( segid "SH2 " and resid 13   and name HN  ))
      5.100     2.500     0.900 peak     4 weight  0.10000E+01 volume  0.40558E-03 ppm1      8.540 ppm2      5.280 CV     1
 ASSI {   21}
   (  segid "SH2 " and resid 106  and name HD2%)
   (( segid "PEP " and resid 224  and name HA  ))
      5.000     2.400     1.000 peak    21 weight  0.10000E+01 volume  0.49754E-03 ppm1      0.390 ppm2      4.400 CV     1
 ASSI {   20}
   (  segid "SH2 " and resid 106  and name HD2%)
   (( segid "PEP " and resid 224  and name HD1 ))
      5.500     2.200     0.500 peak    20 weight  0.10000E+01 volume  0.62777E-03 ppm1      0.400 ppm2      3.830 CV     1
 OR {   20}
   (  segid "SH2 " and resid 106  and name HD2%)
   (( segid "PEP " and resid 224  and name HD2 ))
 ASSI {   11}
   (( segid "SH2 " and resid 87   and name HA1 ))
   (( segid "PEP " and resid 224  and name HG2 ))
      2.900     1.600     1.600 peak    11 weight  0.10000E+01 volume  0.18781E-02 ppm1      4.010 ppm2      2.110 CV     1
 OR {   11}
   (( segid "SH2 " and resid 87   and name HA1 ))
   (( segid "PEP " and resid 224  and name HG1 ))
 ASSI {  177}
   (( segid "SH2 " and resid 87   and name HA2 ))
   (( segid "PEP " and resid 224  and name HG2 ))
      3.700     1.600     1.600 peak   177 weight  0.10000E+01 volume  0.19974E-02 ppm1      3.760 ppm2      2.110 CV     1
 OR {  177}
   (( segid "SH2 " and resid 87   and name HA2 ))
   (( segid "PEP " and resid 224  and name HG1 ))
 ASSI {   51}
   (  segid "SH2 " and resid 45   and name HG1%)
   (( segid "PEP " and resid 221  and name HB1 ))
      5.000     2.300     1.000 peak    51 weight  0.10000E+01 volume  0.53437E-03 ppm1      1.210 ppm2      3.150 CV     1
 ASSI {   52}
   (  segid "SH2 " and resid 45   and name HG1%)
   (( segid "PEP " and resid 221  and name HB2 ))
      6.000     2.600     0.000 peak    52 weight  0.10000E+01 volume  0.37510E-03 ppm1      1.200 ppm2      2.920 CV     1
 ASSI {   50}
   (  segid "SH2 " and resid 45   and name HG1%)
   (( segid "PEP " and resid 221  and name HD2 ))
      2.500     1.100     1.100 peak    50 weight  0.10000E+01 volume  0.73153E-02 ppm1      1.200 ppm2      7.120 CV     1
 ASSI {  169}
   (  segid "SH2 " and resid 57   and name HE% )
   (( segid "PEP " and resid 224  and name HD1 ))
      4.300     2.000     1.700 peak   169 weight  0.10000E+01 volume  0.85085E-03 ppm1      6.410 ppm2      3.830 CV     1
 ASSI {   35}
   (  segid "SH2 " and resid 57   and name HE% )
   (( segid "PEP " and resid 224  and name HB1 ))
      4.500     2.000     1.500 peak    35 weight  0.10000E+01 volume  0.87157E-03 ppm1      6.410 ppm2      2.310 CV     1
 OR {   35}
   (  segid "SH2 " and resid 57   and name HE% )
   (( segid "PEP " and resid 224  and name HB2 ))
 ASSI {   36}
   (  segid "SH2 " and resid 57   and name HE% )
   (( segid "PEP " and resid 224  and name HG1 ))
      5.000     2.200     1.000 peak    36 weight  0.10000E+01 volume  0.67962E-03 ppm1      6.410 ppm2      2.040 CV     1
 OR {   36}
   (  segid "SH2 " and resid 57   and name HE% )
   (( segid "PEP " and resid 224  and name HG2 ))
 ASSI {   25}
   (  segid "SH2 " and resid 106  and name HD1%)
   (( segid "PEP " and resid 224  and name HD1 ))
      4.500     2.100     1.500 peak    25 weight  0.10000E+01 volume  0.73673E-03 ppm1     -0.630 ppm2      3.670 CV     1
 OR {   25}
   (  segid "SH2 " and resid 106  and name HD1%)
   (( segid "PEP " and resid 224  and name HD2 ))
 ASSI {   27}
   (  segid "SH2 " and resid 106  and name HD1%)
   (( segid "PEP " and resid 224  and name HG1 ))
      3.000     1.500     1.500 peak    27 weight  0.10000E+01 volume  0.22672E-02 ppm1     -0.630 ppm2      2.080 CV     1
 OR {   27}
   (  segid "SH2 " and resid 106  and name HD1%)
   (( segid "PEP " and resid 224  and name HG2 ))
 ASSI {   23}
   (  segid "SH2 " and resid 106  and name HD1%)
   (( segid "PEP " and resid 224  and name HA  ))
      4.300     2.000     1.700 peak    23 weight  0.10000E+01 volume  0.89235E-03 ppm1     -0.630 ppm2      4.400 CV     1
 ASSI {   26}
   (  segid "SH2 " and resid 106  and name HD1%)
   (( segid "PEP " and resid 224  and name HB1 ))
      3.300     1.500     1.500 peak    26 weight  0.10000E+01 volume  0.25162E-02 ppm1     -0.630 ppm2      2.320 CV     1
 OR {   26}
   (  segid "SH2 " and resid 106  and name HD1%)
   (( segid "PEP " and resid 224  and name HB2 ))
 ASSI {   53}
   (  segid "SH2 " and resid 45   and name HG2%)
   (( segid "PEP " and resid 221  and name HD2 ))
      3.300     1.200     1.200 peak    53 weight  0.10000E+01 volume  0.46122E-02 ppm1      0.920 ppm2      7.100 CV     1
 OR {   53}
   (  segid "SH2 " and resid 45   and name HG2%)
   (( segid "PEP " and resid 221  and name HD1 ))
 ASSI {   43}
   (  segid "SH2 " and resid 58   and name HG2%)
   (( segid "PEP " and resid 221  and name HB2 ))
      2.200     1.200     1.200 peak    43 weight  0.10000E+01 volume  0.52400E-02 ppm1      0.990 ppm2      2.940 CV     1
 ASSI {   44}
   (  segid "SH2 " and resid 58   and name HG2%)
   (( segid "PEP " and resid 220  and name HB2 ))
      4.300     1.600     1.600 peak    44 weight  0.10000E+01 volume  0.20026E-02 ppm1      0.990 ppm2      2.450 CV     1
 OR {   44}
   (  segid "SH2 " and resid 58   and name HG2%)
   (( segid "PEP " and resid 220  and name HB1 ))
 ASSI {   42}
   (  segid "SH2 " and resid 58   and name HG2%)
   (( segid "PEP " and resid 221  and name HB1 ))
      2.500     1.100     1.100 peak    42 weight  0.10000E+01 volume  0.67962E-02 ppm1      0.990 ppm2      3.150 CV     1
 ASSI {   38}
   (  segid "SH2 " and resid 58   and name HG2%)
   (( segid "PEP " and resid 221  and name HD2 ))
      3.900     1.300     1.300 peak    38 weight  0.10000E+01 volume  0.39533E-02 ppm1      0.990 ppm2      7.200 CV     1
 OR {   38}
   (  segid "SH2 " and resid 58   and name HG2%)
   (( segid "PEP " and resid 221  and name HD1 ))
 ASSI {   45}
   (  segid "SH2 " and resid 58   and name HG2%)
   (( segid "PEP " and resid 220  and name HG2 ))
      5.100     2.300     0.900 peak    45 weight  0.10000E+01 volume  0.56550E-03 ppm1      0.990 ppm2      1.980 CV     1
 OR {   45}
   (  segid "SH2 " and resid 58   and name HG2%)
   (( segid "PEP " and resid 220  and name HG1 ))
 ASSI {   17}
   (  segid "SH2 " and resid 86   and name HG2%)
   (( segid "PEP " and resid 224  and name HB2 ))
      5.400     2.300     0.600 peak    17 weight  0.10000E+01 volume  0.60699E-03 ppm1      1.320 ppm2      2.330 CV     1
 OR {   17}
   (  segid "SH2 " and resid 86   and name HG2%)
   (( segid "PEP " and resid 224  and name HB1 ))
 ASSI {   13}
   (  segid "SH2 " and resid 86   and name HG2%)
   (( segid "PEP " and resid 224  and name HG2 ))
      4.200     1.800     1.800 peak    13 weight  0.10000E+01 volume  0.12970E-02 ppm1      1.320 ppm2      2.080 CV     1
 OR {   13}
   (  segid "SH2 " and resid 86   and name HG2%)
   (( segid "PEP " and resid 224  and name HG1 ))
 ASSI {   14}
   (  segid "SH2 " and resid 86   and name HG2%)
   (( segid "PEP " and resid 224  and name HD2 ))
      5.400     2.100     0.600 peak    14 weight  0.10000E+01 volume  0.75745E-03 ppm1      1.320 ppm2      3.670 CV     1
 OR {   14}
   (  segid "SH2 " and resid 86   and name HG2%)
   (( segid "PEP " and resid 224  and name HD1 ))
 ASSI {   54}
   (( segid "SH2 " and resid 58   and name HB  ))
   (( segid "PEP " and resid 221  and name HD2 ))
      3.400     2.100     2.100 peak    54 weight  0.10000E+01 volume  0.75224E-03 ppm1      1.190 ppm2      7.170 CV     1
 OR {   54}
   (( segid "SH2 " and resid 58   and name HB  ))
   (( segid "PEP " and resid 221  and name HD1 ))
 ASSI {   55}
   (( segid "SH2 " and resid 58   and name HB  ))
   (( segid "PEP " and resid 221  and name HB1 ))
      2.700     2.000     2.000 peak    55 weight  0.10000E+01 volume  0.89755E-03 ppm1      1.180 ppm2      3.160 CV     1
 ASSI {   56}
   (( segid "SH2 " and resid 58   and name HB  ))
   (( segid "PEP " and resid 221  and name HB2 ))
      2.900     2.100     2.100 peak    56 weight  0.10000E+01 volume  0.82493E-03 ppm1      1.180 ppm2      2.920 CV     1
 ASSI {   58}
   (( segid "SH2 " and resid 37   and name HB2 ))
   (( segid "PEP " and resid 221  and name HD2 ))
      4.700     2.000     1.300 peak    58 weight  0.10000E+01 volume  0.83529E-03 ppm1      3.270 ppm2      7.100 CV     1
 OR {   58}
   (( segid "SH2 " and resid 37   and name HB2 ))
   (( segid "PEP " and resid 221  and name HD1 ))
 OR {   58}
   (( segid "SH2 " and resid 37   and name HB1 ))
   (( segid "PEP " and resid 221  and name HD2 ))
 ASSI {    5}
   (  segid "SH2 " and resid 86   and name HD1%)
   (( segid "PEP " and resid 224  and name HB2 ))
      4.800     1.800     1.200 peak     5 weight  0.10000E+01 volume  0.11569E-02 ppm1      0.490 ppm2      2.320 CV     1
 OR {    5}
   (  segid "SH2 " and resid 86   and name HD1%)
   (( segid "PEP " and resid 224  and name HB1 ))
 ASSI {    2}
   (  segid "SH2 " and resid 86   and name HD1%)
   (( segid "PEP " and resid 224  and name HD2 ))
      2.800     1.400     1.400 peak     2 weight  0.10000E+01 volume  0.26926E-02 ppm1      0.490 ppm2      3.830 CV     1
 OR {    2}
   (  segid "SH2 " and resid 86   and name HD1%)
   (( segid "PEP " and resid 224  and name HD1 ))
 ASSI {    4}
   (  segid "SH2 " and resid 86   and name HD1%)
   (( segid "PEP " and resid 224  and name HA  ))
      6.000     2.500     0.000 peak     4 weight  0.10000E+01 volume  0.41297E-03 ppm1      0.490 ppm2      4.370 CV     1
 ASSI {    1}
   (  segid "SH2 " and resid 58   and name HD1%)
   (( segid "PEP " and resid 221  and name HD1 ))
      3.000     1.300     1.300 peak     1 weight  0.10000E+01 volume  0.38859E-02 ppm1      0.420 ppm2      7.160 CV     1
 OR {    1}
   (  segid "SH2 " and resid 58   and name HD1%)
   (( segid "PEP " and resid 221  and name HD2 ))
 ASSI {    7}
   (  segid "SH2 " and resid 58   and name HD1%)
   (( segid "PEP " and resid 221  and name HB1 ))
      4.100     1.600     1.600 peak     7 weight  0.10000E+01 volume  0.19611E-02 ppm1      0.420 ppm2      3.150 CV     1
 ASSI {    8}
   (  segid "SH2 " and resid 58   and name HD1%)
   (( segid "PEP " and resid 221  and name HB2 ))
      3.600     1.700     1.700 peak     8 weight  0.10000E+01 volume  0.14008E-02 ppm1      0.420 ppm2      2.930 CV     1
 ASSI {  115}
   (( segid "SH2 " and resid 45   and name HA  ))
   (( segid "PEP " and resid 221  and name HE2 ))
      4.900     2.100     1.100 peak   115 weight  0.10000E+01 volume  0.75745E-03 ppm1      4.800 ppm2      7.140 CV     1
 ASSI {   31}
   (  segid "SH2 " and resid 57   and name HD% )
   (( segid "PEP " and resid 224  and name HG1 ))
      4.600     2.600     1.400 peak    31 weight  0.10000E+01 volume  0.37925E-03 ppm1      6.710 ppm2      2.070 CV     1
 OR {   31}
   (  segid "SH2 " and resid 57   and name HD% )
   (( segid "PEP " and resid 224  and name HG2 ))
 ASSI {   29}
   (  segid "SH2 " and resid 57   and name HD% )
   (( segid "PEP " and resid 224  and name HA  ))
      4.100     2.300     1.900 peak    29 weight  0.10000E+01 volume  0.54475E-03 ppm1      6.730 ppm2      4.400 CV     1
 ASSI {   83}
   (  segid "SH2 " and resid 57   and name HD% )
   (  segid "PEP " and resid 222  and name HB% )
      4.200     2.500     1.800 peak    83 weight  0.10000E+01 volume  0.41401E-03 ppm1      6.710 ppm2      1.360 CV     1
 ASSI {   30}
   (  segid "SH2 " and resid 57   and name HD% )
   (( segid "PEP " and resid 224  and name HD1 ))
      3.000     2.000     2.000 peak    30 weight  0.10000E+01 volume  0.88714E-03 ppm1      6.720 ppm2      3.820 CV     1
 OR {   30}
   (  segid "SH2 " and resid 57   and name HD% )
   (( segid "PEP " and resid 224  and name HD2 ))
 ASSI {   28}
   (  segid "SH2 " and resid 57   and name HD% )
   (( segid "PEP " and resid 224  and name HB1 ))
      5.100     2.500     0.900 peak    28 weight  0.10000E+01 volume  0.46122E-03 ppm1      6.720 ppm2      2.390 CV     1
 OR {   28}
   (  segid "SH2 " and resid 57   and name HD% )
   (( segid "PEP " and resid 224  and name HB2 ))
 ASSI {  116}
   (( segid "SH2 " and resid 45   and name HB  ))
   (( segid "PEP " and resid 221  and name HE2 ))
      4.900     2.300     1.100 peak   116 weight  0.10000E+01 volume  0.54994E-03 ppm1      1.950 ppm2      7.100 CV     1
 ASSI {  122}
   (( segid "SH2 " and resid 58   and name HA  ))
   (( segid "PEP " and resid 221  and name HB2 ))
      5.100     2.200     0.900 peak   122 weight  0.10000E+01 volume  0.65890E-03 ppm1      4.330 ppm2      2.930 CV     1
 ASSI {   88}
   (( segid "SH2 " and resid 86   and name HA  ))
   (( segid "PEP " and resid 224  and name HG2 ))
      4.900     2.000     1.100 peak    88 weight  0.10000E+01 volume  0.91827E-03 ppm1      4.850 ppm2      2.080 CV     1
 OR {   88}
   (( segid "SH2 " and resid 86   and name HA  ))
   (( segid "PEP " and resid 224  and name HG1 ))
 ASSI {  120}
   (( segid "SH2 " and resid 58   and name HA  ))
   (( segid "PEP " and resid 221  and name HE2 ))
      4.000     1.900     1.900 peak   120 weight  0.10000E+01 volume  0.10895E-02 ppm1      4.330 ppm2      7.190 CV     1
 OR {  120}
   (( segid "SH2 " and resid 58   and name HA  ))
   (( segid "PEP " and resid 221  and name HE1 ))
 ASSI {   87}
   (( segid "SH2 " and resid 86   and name HA  ))
   (( segid "PEP " and resid 224  and name HD2 ))
      4.900     2.100     1.100 peak    87 weight  0.10000E+01 volume  0.77302E-03 ppm1      4.850 ppm2      3.660 CV     1
 ASSI {   75}
   (( segid "SH2 " and resid 57   and name HA  ))
   (  segid "PEP " and resid 222  and name HB% )
      4.200     2.400     1.800 peak    75 weight  0.10000E+01 volume  0.50169E-03 ppm1      4.890 ppm2      1.360 CV     1
 ASSI {  125}
   (( segid "SH2 " and resid 57   and name HA  ))
   (( segid "PEP " and resid 221  and name HB1 ))
      3.900     2.300     2.100 peak   125 weight  0.10000E+01 volume  0.56550E-03 ppm1      4.910 ppm2      3.170 CV     1
 ASSI {  176}
   (( segid "SH2 " and resid 57   and name HA  ))
   (( segid "PEP " and resid 224  and name HD1 ))
      5.100     2.600     0.900 peak   176 weight  0.10000E+01 volume  0.38962E-03 ppm1      4.910 ppm2      3.670 CV     1
 OR {  176}
   (( segid "SH2 " and resid 57   and name HA  ))
   (( segid "PEP " and resid 224  and name HD2 ))
 ASSI {   76}
   (( segid "SH2 " and resid 57   and name HA  ))
   (( segid "PEP " and resid 224  and name HG1 ))
      5.900     2.600     0.100 peak    76 weight  0.10000E+01 volume  0.39637E-03 ppm1      4.900 ppm2      2.080 CV     1
 OR {   76}
   (( segid "SH2 " and resid 57   and name HA  ))
   (( segid "PEP " and resid 224  and name HG2 ))
 ASSI {  126}
   (( segid "SH2 " and resid 57   and name HA  ))
   (( segid "PEP " and resid 221  and name HB2 ))
      5.700     2.400     0.300 peak   126 weight  0.10000E+01 volume  0.52400E-03 ppm1      4.910 ppm2      2.950 CV     1
 ASSI {  149}
   (( segid "SH2 " and resid 57   and name HA  ))
   (( segid "PEP " and resid 221  and name HD2 ))
      3.900     2.200     2.100 peak   149 weight  0.10000E+01 volume  0.67962E-03 ppm1      4.910 ppm2      7.170 CV     1
 OR {  149}
   (( segid "SH2 " and resid 57   and name HA  ))
   (( segid "PEP " and resid 221  and name HD1 ))
 ASSI {   49}
   (( segid "SH2 " and resid 56   and name HB2 ))
   (( segid "PEP " and resid 221  and name HD2 ))
      3.400     1.700     1.700 peak    49 weight  0.10000E+01 volume  0.16239E-02 ppm1      2.730 ppm2      7.160 CV     1
 ASSI {   48}
   (( segid "SH2 " and resid 56   and name HB1 ))
   (( segid "PEP " and resid 221  and name HD2 ))
      4.500     1.600     1.500 peak    48 weight  0.10000E+01 volume  0.18677E-02 ppm1      3.070 ppm2      7.180 CV     1
 ASSI {  132}
   (( segid "SH2 " and resid 106  and name HA  ))
   (( segid "PEP " and resid 224  and name HG1 ))
      5.700     2.000     0.300 peak   132 weight  0.10000E+01 volume  0.85600E-03 ppm1      4.120 ppm2      2.080 CV     1
 OR {  132}
   (( segid "SH2 " and resid 106  and name HA  ))
   (( segid "PEP " and resid 224  and name HG2 ))
 ASSI {  921}
   (( segid "SH3 " and resid 309  and name HN  ))
   (  segid "SH3 " and resid 329  and name HD1%)
      3.100     1.400     1.400 peak   921 weight  0.10000E+01 volume  0.26781E-02 ppm1      8.370 ppm2      0.640 CV     1
 OR {  921}
   (( segid "SH3 " and resid 309  and name HN  ))
   (  segid "SH3 " and resid 357  and name HG2%)
 OR {  921}
   (( segid "SH3 " and resid 309  and name HN  ))
   (  segid "SH3 " and resid 310  and name HD2%)
 ASSI {  316}
   (( segid "SH3 " and resid 331  and name HN  ))
   (  segid "SH3 " and resid 332  and name HD1%)
      4.900     2.500     1.100 peak   316 weight  0.10000E+01 volume  0.43654E-03 ppm1      8.570 ppm2      0.590 CV     1
 OR {  316}
   (( segid "SH3 " and resid 331  and name HN  ))
   (  segid "SH3 " and resid 352  and name HG2%)
 ASSI {  958}
   (( segid "SH3 " and resid 308  and name HN  ))
   (  segid "SH3 " and resid 309  and name HB% )
      4.400     2.100     1.600 peak   958 weight  0.10000E+01 volume  0.73475E-03 ppm1      9.440 ppm2      1.560 CV     1
 OR {  958}
   (( segid "SH3 " and resid 308  and name HN  ))
   (( segid "SH3 " and resid 306  and name HG  ))
 OR {  958}
   (( segid "SH3 " and resid 308  and name HN  ))
   (( segid "SH3 " and resid 331  and name HB  ))
 ASSI {  960}
   (( segid "SH3 " and resid 326  and name HN  ))
   (  segid "SH3 " and resid 309  and name HB% )
      2.600     1.200     1.200 peak   960 weight  0.10000E+01 volume  0.49932E-02 ppm1      8.950 ppm2      1.550 CV     1
 OR {  960}
   (( segid "SH3 " and resid 326  and name HN  ))
   (( segid "SH3 " and resid 325  and name HG1 ))
 ASSI { 1657}
   (( segid "SH3 " and resid 315  and name HA  ))
   (  segid "SH3 " and resid 314  and name HG1%)
      5.000     2.400     1.000 peak  1657 weight  0.10000E+01 volume  0.46499E-03 ppm1      3.790 ppm2      0.820 CV     1
 OR { 1657}
   (( segid "SH3 " and resid 315  and name HA  ))
   (( segid "SH3 " and resid 321  and name HB2 ))
 ASSI { 1186}
   (( segid "SH3 " and resid 308  and name HA  ))
   (  segid "SH3 " and resid 309  and name HB% )
      3.600     1.500     1.500 peak  1186 weight  0.10000E+01 volume  0.21680E-02 ppm1      5.250 ppm2      1.550 CV     1
 OR { 1186}
   (( segid "SH3 " and resid 308  and name HA  ))
   (( segid "SH3 " and resid 329  and name HB1 ))
 ASSI { 3188}
   (( segid "SH2 " and resid 113  and name HB2 ))
   (  segid "SH2 " and resid 31   and name HG2%)
      2.800     2.800     3.200 peak  3188 weight  0.10000E+01 volume  0.56867E-02 ppm1      2.170 ppm2      0.940 CV     1
 OR { 3188}
   (( segid "SH2 " and resid 113  and name HB2 ))
   (  segid "SH2 " and resid 115  and name HG1%)
 ASSI { 2829}
   (( segid "SH2 " and resid 24   and name HA  ))
   (  segid "SH2 " and resid 31   and name HG2%)
      2.900     1.300     1.300 peak  2829 weight  0.10000E+01 volume  0.30330E-02 ppm1      4.160 ppm2      0.940 CV     1
 OR { 2829}
   (( segid "SH2 " and resid 24   and name HA  ))
   (  segid "SH2 " and resid 115  and name HG1%)
 ASSI { 2830}
   (( segid "SH2 " and resid 20   and name HA  ))
   (( segid "SH2 " and resid 23   and name HG  ))
      3.500     1.600     1.600 peak  2830 weight  0.10000E+01 volume  0.18223E-02 ppm1      3.780 ppm2      0.940 CV     1
 OR { 2830}
   (( segid "SH2 " and resid 20   and name HA  ))
   (  segid "SH2 " and resid 115  and name HG1%)
 ASSI { 2597}
   (( segid "SH2 " and resid 10   and name HB1 ))
   (( segid "SH2 " and resid 33   and name HB2 ))
      3.600     1.500     1.500 peak  2597 weight  0.10000E+01 volume  0.23405E-02 ppm1      3.770 ppm2      1.810 CV     1
 OR { 2597}
   (( segid "SH2 " and resid 10   and name HB1 ))
   (( segid "SH2 " and resid 33   and name HB1 ))
 OR { 2597}
   (( segid "SH2 " and resid 20   and name HA  ))
   (( segid "SH2 " and resid 33   and name HB1 ))
 OR { 2597}
   (( segid "SH2 " and resid 20   and name HA  ))
   (( segid "SH2 " and resid 33   and name HB2 ))
 ASSI { 2865}
   (( segid "SH2 " and resid 104  and name HA  ))
   (  segid "SH2 " and resid 110  and name HG2%)
      3.800     1.900     1.900 peak  2865 weight  0.10000E+01 volume  0.10287E-02 ppm1      4.380 ppm2      0.140 CV     1
 OR { 2865}
   (( segid "SH2 " and resid 111  and name HA  ))
   (  segid "SH2 " and resid 110  and name HG2%)
 ASSI {  166}
   (( segid "SH2 " and resid 111  and name HA  ))
   (  segid "SH2 " and resid 48   and name HG1%)
      3.600     1.500     1.500 peak   166 weight  0.10000E+01 volume  0.21636E-02 ppm1      4.410 ppm2      0.900 CV     1
 OR {  166}
   (( segid "SH2 " and resid 111  and name HA  ))
   (  segid "SH2 " and resid 112  and name HG2%)
 ASSI { 2879}
   (( segid "SH2 " and resid 28   and name HB1 ))
   (  segid "SH2 " and resid 31   and name HG2%)
      3.700     1.800     1.800 peak  2879 weight  0.10000E+01 volume  0.11551E-02 ppm1      1.770 ppm2      0.910 CV     1
 OR { 2879}
   (( segid "SH2 " and resid 28   and name HB1 ))
   (  segid "SH2 " and resid 112  and name HG2%)
 ASSI { 1470}
   (  segid "SH2 " and resid 97   and name HD1%)
   (( segid "SH2 " and resid 46   and name HA  ))
      4.700     2.300     1.300 peak  1470 weight  0.10000E+01 volume  0.54594E-03 ppm1      0.700 ppm2      5.170 CV     1
 OR { 1470}
   (  segid "SH2 " and resid 97   and name HD1%)
   (( segid "SH2 " and resid 90   and name HA  ))
 ASSI { 2888}
   (  segid "SH2 " and resid 97   and name HD1%)
   (  segid "SH2 " and resid 91   and name HD% )
      3.200     1.300     1.300 peak  2888 weight  0.10000E+01 volume  0.36649E-02 ppm1      0.700 ppm2      6.980 CV     1
 OR { 2888}
   (  segid "SH2 " and resid 97   and name HD1%)
   (( segid "SH2 " and resid 97   and name HN  ))
 ASSI {  619}
   (( segid "SH2 " and resid 84   and name HA  ))
   (  segid "SH2 " and resid 84   and name HD1%)
      3.400     3.400     2.600 peak   619 weight  0.10000E+01 volume  0.24441E-02 ppm1      5.180 ppm2      0.710 CV     1
 OR {  619}
   (( segid "SH2 " and resid 46   and name HA  ))
   (  segid "SH2 " and resid 59   and name HD1%)
 ASSI { 3373}
   (( segid "SH2 " and resid 17   and name HG2 ))
   (  segid "SH2 " and resid 45   and name HG2%)
      3.300     1.300     1.300 peak  3373 weight  0.10000E+01 volume  0.32352E-02 ppm1      2.020 ppm2      0.890 CV     1
 OR { 3373}
   (( segid "SH2 " and resid 17   and name HG1 ))
   (  segid "SH2 " and resid 45   and name HG2%)
 OR { 3373}
   (( segid "SH2 " and resid 67   and name HG2 ))
   (  segid "SH2 " and resid 68   and name HG1%)
 OR { 3373}
   (( segid "SH2 " and resid 67   and name HG2 ))
   (  segid "SH2 " and resid 68   and name HG2%)
 ASSI { 2953}
   (  segid "SH2 " and resid 46   and name HD2%)
   (( segid "SH2 " and resid 86   and name HB  ))
      3.700     1.600     1.600 peak  2953 weight  0.10000E+01 volume  0.18198E-02 ppm1      0.370 ppm2      1.820 CV     1
 OR { 2953}
   (  segid "SH2 " and resid 46   and name HD2%)
   (( segid "SH2 " and resid 33   and name HB2 ))
 OR { 2953}
   (  segid "SH2 " and resid 106  and name HD1%)
   (( segid "SH2 " and resid 86   and name HB  ))
 OR { 2953}
   (  segid "SH2 " and resid 46   and name HD2%)
   (( segid "SH2 " and resid 33   and name HB1 ))
 OR { 2953}
   (  segid "SH2 " and resid 46   and name HD2%)
   (( segid "SH2 " and resid 48   and name HB  ))
 ASSI { 3336}
   (( segid "SH2 " and resid 67   and name HD1 ))
   (( segid "SH2 " and resid 68   and name HN  ))
      4.400     2.200     1.600 peak  3336 weight  0.10000E+01 volume  0.61163E-03 ppm1      3.650 ppm2      7.810 CV     1
 OR { 3336}
   (( segid "SH2 " and resid 77   and name HD2 ))
   (( segid "SH2 " and resid 79   and name HN  ))
 ASSI { 2986}
   (  segid "SH2 " and resid 46   and name HD1%)
   (( segid "SH2 " and resid 97   and name HB1 ))
      3.200     1.300     1.300 peak  2986 weight  0.10000E+01 volume  0.31341E-02 ppm1      0.570 ppm2      1.690 CV     1
 OR { 2986}
   (  segid "SH2 " and resid 46   and name HD1%)
   (( segid "SH2 " and resid 97   and name HB2 ))
 OR { 2986}
   (  segid "SH2 " and resid 46   and name HD1%)
   (( segid "SH2 " and resid 59   and name HB  ))
 ASSI { 2984}
   (  segid "SH2 " and resid 46   and name HD1%)
   (( segid "SH2 " and resid 94   and name HA  ))
      3.000     3.000     3.000 peak  2984 weight  0.10000E+01 volume  0.71024E-02 ppm1      0.580 ppm2      4.020 CV     1
 OR { 2984}
   (  segid "SH2 " and resid 46   and name HD1%)
   (( segid "SH2 " and resid 96   and name HA  ))
 ASSI { 2981}
   (  segid "SH2 " and resid 97   and name HD2%)
   (  segid "SH2 " and resid 91   and name HE% )
      2.900     1.100     1.100 peak  2981 weight  0.10000E+01 volume  0.53078E-02 ppm1      0.510 ppm2      7.020 CV     1
 OR { 2981}
   (  segid "SH2 " and resid 97   and name HD2%)
   (( segid "SH2 " and resid 97   and name HN  ))
 ASSI { 2611}
   (  segid "SH2 " and resid 84   and name HD2%)
   (( segid "SH2 " and resid 94   and name HA  ))
      3.400     1.400     1.400 peak  2611 weight  0.10000E+01 volume  0.24744E-02 ppm1      0.890 ppm2      4.020 CV     1
 OR { 2611}
   (  segid "SH2 " and resid 84   and name HD2%)
   (( segid "SH2 " and resid 93   and name HB2 ))
 OR { 2611}
   (  segid "SH2 " and resid 84   and name HD2%)
   (( segid "SH2 " and resid 93   and name HB1 ))
 ASSI { 3270}
   (  segid "SH2 " and resid 31   and name HG1%)
   (( segid "SH2 " and resid 28   and name HD2 ))
      3.700     1.700     1.700 peak  3270 weight  0.10000E+01 volume  0.13648E-02 ppm1      1.080 ppm2      3.150 CV     1
 OR { 3270}
   (  segid "SH2 " and resid 31   and name HG1%)
   (( segid "SH2 " and resid 29   and name HB1 ))
 OR { 3270}
   (  segid "SH2 " and resid 31   and name HG1%)
   (( segid "SH2 " and resid 29   and name HB2 ))
 ASSI { 2319}
   (  segid "SH2 " and resid 34   and name HG1%)
   (( segid "SH2 " and resid 10   and name HB1 ))
      4.400     1.800     1.600 peak  2319 weight  0.10000E+01 volume  0.11753E-02 ppm1      1.200 ppm2      3.770 CV     1
 OR { 2319}
   (  segid "SH2 " and resid 34   and name HG1%)
   (( segid "SH2 " and resid 95   and name HD1 ))
 ASSI {  929}
   (  segid "SH2 " and resid 98   and name HD2%)
   (  segid "SH2 " and resid 44   and name HD% )
      3.100     3.100     2.900 peak   929 weight  0.10000E+01 volume  0.19512E-02 ppm1     -0.010 ppm2      7.030 CV     1
 OR {  929}
   (  segid "SH2 " and resid 98   and name HD2%)
   (  segid "SH2 " and resid 91   and name HE% )
 OR {  929}
   (  segid "SH2 " and resid 98   and name HD2%)
   (  segid "SH2 " and resid 100  and name HE% )
 ASSI { 1291}
   (  segid "SH2 " and resid 106  and name HD2%)
   (  segid "SH2 " and resid 59   and name HD1%)
      3.100     2.100     2.100 peak  1291 weight  0.10000E+01 volume  0.67990E-03 ppm1     -0.660 ppm2      0.720 CV     1
 OR { 1291}
   (  segid "SH2 " and resid 106  and name HD2%)
   (  segid "SH2 " and resid 97   and name HD1%)
 ASSI { 1162}
   (  segid "SH2 " and resid 48   and name HG2%)
   (  segid "SH2 " and resid 57   and name HD% )
      2.900     1.300     1.300 peak  1162 weight  0.10000E+01 volume  0.30330E-02 ppm1      0.910 ppm2      6.720 CV     1
 OR { 1162}
   (  segid "SH2 " and resid 48   and name HG2%)
   (  segid "SH2 " and resid 32   and name HD% )
 ASSI { 2743}
   (( segid "SH2 " and resid 28   and name HD2 ))
   (  segid "SH2 " and resid 112  and name HG2%)
      3.600     1.600     1.600 peak  2743 weight  0.10000E+01 volume  0.17516E-02 ppm1      3.150 ppm2      0.910 CV     1
 OR { 2743}
   (( segid "SH2 " and resid 28   and name HD1 ))
   (  segid "SH2 " and resid 112  and name HG2%)
 OR { 2743}
   (( segid "SH2 " and resid 28   and name HD2 ))
   (  segid "SH2 " and resid 31   and name HG2%)
 ASSI { 1857}
   (( segid "SH2 " and resid 21   and name HA  ))
   (  segid "SH2 " and resid 20   and name HB% )
      4.000     2.200     2.000 peak  1857 weight  0.10000E+01 volume  0.64956E-03 ppm1      3.480 ppm2      1.430 CV     1
 OR { 1857}
   (( segid "SH2 " and resid 21   and name HA  ))
   (  segid "SH2 " and resid 22   and name HB% )
 ASSI { 1846}
   (  segid "SH2 " and resid 96   and name HB% )
   (  segid "SH2 " and resid 84   and name HD1%)
      4.400     2.000     1.600 peak  1846 weight  0.10000E+01 volume  0.85934E-03 ppm1      1.580 ppm2      0.700 CV     1
 OR { 1846}
   (  segid "SH2 " and resid 96   and name HB% )
   (  segid "SH2 " and resid 97   and name HD1%)
 OR { 1846}
   (  segid "SH2 " and resid 96   and name HB% )
   (( segid "SH2 " and resid 98   and name HB2 ))
 ASSI { 3239}
   (  segid "SH2 " and resid 22   and name HB% )
   (( segid "SH2 " and resid 21   and name HB  ))
      3.500     1.300     1.300 peak  3239 weight  0.10000E+01 volume  0.31846E-02 ppm1      1.430 ppm2      2.210 CV     1
 OR { 3239}
   (  segid "SH2 " and resid 20   and name HB% )
   (( segid "SH2 " and resid 21   and name HB  ))
 ASSI { 2621}
   (( segid "SH2 " and resid 98   and name HB2 ))
   (( segid "SH2 " and resid 95   and name HD1 ))
      4.100     2.000     1.900 peak  2621 weight  0.10000E+01 volume  0.87197E-03 ppm1      0.700 ppm2      3.800 CV     1
 OR { 2621}
   (( segid "SH2 " and resid 98   and name HB2 ))
   (( segid "SH2 " and resid 10   and name HB1 ))
 ASSI { 3147}
   (  segid "SH2 " and resid 100  and name HE% )
   (( segid "SH2 " and resid 89   and name HG1 ))
      3.400     1.500     1.500 peak  3147 weight  0.10000E+01 volume  0.19614E-02 ppm1      7.030 ppm2      2.180 CV     1
 OR { 3147}
   (  segid "SH2 " and resid 91   and name HE% )
   (( segid "SH2 " and resid 89   and name HG1 ))
 OR { 3147}
   (  segid "SH2 " and resid 91   and name HE% )
   (( segid "SH2 " and resid 89   and name HG2 ))
 OR { 3147}
   (  segid "SH2 " and resid 100  and name HE% )
   (( segid "SH2 " and resid 89   and name HG2 ))
 ASSI { 2730}
   (  segid "SH2 " and resid 57   and name HD% )
   (( segid "SH2 " and resid 46   and name HB2 ))
      3.700     2.000     2.000 peak  2730 weight  0.10000E+01 volume  0.88465E-03 ppm1      6.710 ppm2      1.240 CV     1
 OR { 2730}
   (  segid "SH2 " and resid 57   and name HD% )
   (( segid "SH2 " and resid 106  and name HB2 ))
 ASSI {  981}
   (( segid "SH2 " and resid 97   and name HA  ))
   (( segid "SH2 " and resid 84   and name HG  ))
      4.000     4.000     2.000 peak   981 weight  0.10000E+01 volume  0.12840E-02 ppm1      1.960 ppm2      1.200 CV     1
 OR {  981}
   (( segid "SH2 " and resid 97   and name HA  ))
   (  segid "SH2 " and resid 34   and name HG1%)
 ASSI { 3167}
   (( segid "SH2 " and resid 98   and name HA  ))
   (( segid "SH2 " and resid 97   and name HN  ))
      4.400     2.100     1.600 peak  3167 weight  0.10000E+01 volume  0.66728E-03 ppm1      3.360 ppm2      7.010 CV     1
 OR { 3167}
   (( segid "SH2 " and resid 98   and name HA  ))
   (  segid "SH2 " and resid 91   and name HE% )
 ASSI { 3977}
   (( segid "SH2 " and resid 15   and name HN  ))
   (( segid "SH2 " and resid 12   and name HB1 ))
      4.300     2.000     1.700 peak  3977 weight  0.10000E+01 volume  0.78411E-03 ppm1      7.720 ppm2      3.600 CV     1
 OR { 3977}
   (( segid "SH2 " and resid 15   and name HN  ))
   (( segid "SH2 " and resid 13   and name HA1 ))
 ASSI { 3337}
   (( segid "SH2 " and resid 46   and name HN  ))
   (( segid "SH2 " and resid 59   and name HB  ))
      4.300     2.200     1.700 peak  3337 weight  0.10000E+01 volume  0.60388E-03 ppm1      9.190 ppm2      1.700 CV     1
 OR { 3337}
   (( segid "SH2 " and resid 46   and name HN  ))
   (( segid "SH2 " and resid 35   and name HG1 ))
 ASSI { 3991}
   (( segid "SH2 " and resid 12   and name HN  ))
   (  segid "SH2 " and resid 44   and name HD% )
      3.700     3.700     2.300 peak  3991 weight  0.10000E+01 volume  0.18386E-02 ppm1      9.340 ppm2      7.050 CV     1
 OR { 3991}
   (( segid "SH2 " and resid 12   and name HN  ))
   (( segid "SH2 " and resid 12   and name HZ3 ))
 ASSI { 3992}
   (( segid "SH2 " and resid 12   and name HN  ))
   (( segid "SH2 " and resid 12   and name HD1 ))
      2.900     1.600     1.600 peak  3992 weight  0.10000E+01 volume  0.18116E-02 ppm1      9.340 ppm2      7.460 CV     1
 OR { 3992}
   (( segid "SH2 " and resid 12   and name HN  ))
   (( segid "SH2 " and resid 10   and name HE3 ))
 ASSI { 4010}
   (( segid "SH2 " and resid 59   and name HN  ))
   (( segid "SH2 " and resid 43   and name HB1 ))
      3.900     2.500     2.100 peak  4010 weight  0.10000E+01 volume  0.39356E-03 ppm1      8.820 ppm2      2.970 CV     1
 OR { 4010}
   (( segid "SH2 " and resid 59   and name HN  ))
   (( segid "SH2 " and resid 57   and name HB1 ))
 ASSI { 3836}
   (( segid "SH2 " and resid 31   and name HN  ))
   (( segid "SH2 " and resid 28   and name HB1 ))
      3.600     2.100     2.100 peak  3836 weight  0.10000E+01 volume  0.76311E-03 ppm1      8.140 ppm2      1.790 CV     1
 OR { 3836}
   (( segid "SH2 " and resid 31   and name HN  ))
   (( segid "SH2 " and resid 33   and name HB1 ))
 ASSI { 4051}
   (( segid "SH2 " and resid 28   and name HN  ))
   (  segid "SH2 " and resid 31   and name HG2%)
      4.100     1.900     1.900 peak  4051 weight  0.10000E+01 volume  0.10095E-02 ppm1      8.870 ppm2      0.940 CV     1
 OR { 4051}
   (( segid "SH2 " and resid 28   and name HN  ))
   (  segid "SH2 " and resid 115  and name HG1%)
 ASSI { 4056}
   (( segid "SH2 " and resid 86   and name HN  ))
   (( segid "SH2 " and resid 85   and name HN  ))
      4.200     2.000     1.800 peak  4056 weight  0.10000E+01 volume  0.78711E-03 ppm1      8.600 ppm2      8.990 CV     1
 OR { 4056}
   (( segid "SH2 " and resid 86   and name HN  ))
   (( segid "SH2 " and resid 91   and name HN  ))
 ASSI { 4058}
   (( segid "SH2 " and resid 86   and name HN  ))
   (( segid "SH2 " and resid 85   and name HB2 ))
      4.100     1.700     1.700 peak  4058 weight  0.10000E+01 volume  0.13039E-02 ppm1      8.600 ppm2      1.650 CV     1
 OR { 4058}
   (( segid "SH2 " and resid 86   and name HN  ))
   (( segid "SH2 " and resid 90   and name HB2 ))
 ASSI { 3403}
   (( segid "SH2 " and resid 60   and name HN  ))
   (( segid "SH2 " and resid 59   and name HA  ))
      2.100     1.000     1.000 peak  3403 weight  0.10000E+01 volume  0.87723E-02 ppm1      9.060 ppm2      4.500 CV     1
 OR { 3403}
   (( segid "SH2 " and resid 55   and name HN  ))
   (( segid "SH2 " and resid 55   and name HA  ))
 ASSI { 2845}
   (( segid "SH2 " and resid 35   and name HN  ))
   (( segid "SH2 " and resid 59   and name HB  ))
      4.100     4.100     1.900 peak  2845 weight  0.10000E+01 volume  0.15773E-02 ppm1      9.600 ppm2      1.710 CV     1
 OR { 2845}
   (( segid "SH2 " and resid 35   and name HN  ))
   (( segid "SH2 " and resid 97   and name HB1 ))
 ASSI { 4063}
   (( segid "SH2 " and resid 16   and name HN  ))
   (( segid "SH2 " and resid 18   and name HN  ))
      5.600     3.000     0.400 peak  4063 weight  0.10000E+01 volume  0.21871E-03 ppm1      8.930 ppm2      8.560 CV     1
 OR { 4063}
   (( segid "SH2 " and resid 16   and name HN  ))
   (( segid "SH2 " and resid 14   and name HN  ))
 ASSI { 2549}
   (( segid "SH2 " and resid 36   and name HN  ))
   (( segid "SH2 " and resid 37   and name HA  ))
      4.300     2.700     1.700 peak  2549 weight  0.10000E+01 volume  0.33648E-03 ppm1      9.010 ppm2      4.450 CV     1
 OR { 2549}
   (( segid "SH2 " and resid 36   and name HN  ))
   (( segid "SH2 " and resid 38   and name HA  ))
 ASSI { 2552}
   (( segid "SH2 " and resid 36   and name HN  ))
   (( segid "SH2 " and resid 12   and name HN  ))
      4.600     2.600     1.400 peak  2552 weight  0.10000E+01 volume  0.37253E-03 ppm1      9.010 ppm2      9.330 CV     1
 OR { 2552}
   (( segid "SH2 " and resid 36   and name HN  ))
   (( segid "SH2 " and resid 34   and name HN  ))
 ASSI { 2724}
   (( segid "SH2 " and resid 115  and name HN  ))
   (( segid "SH2 " and resid 23   and name HB1 ))
      5.100     2.900     0.900 peak  2724 weight  0.10000E+01 volume  0.24695E-03 ppm1      8.240 ppm2      1.490 CV     1
 OR { 2724}
   (( segid "SH2 " and resid 115  and name HN  ))
   (( segid "SH2 " and resid 23   and name HB2 ))
 OR { 2724}
   (( segid "SH2 " and resid 115  and name HN  ))
   (( segid "SH2 " and resid 24   and name HB2 ))
 ASSI {  966}
   (( segid "SH2 " and resid 32   and name HN  ))
   (( segid "SH2 " and resid 48   and name HA  ))
      4.300     2.400     1.700 peak   966 weight  0.10000E+01 volume  0.45365E-03 ppm1      7.880 ppm2      5.000 CV     1
 OR {  966}
   (( segid "SH2 " and resid 32   and name HN  ))
   (( segid "SH2 " and resid 113  and name HA  ))
 ASSI { 4076}
   (( segid "SH2 " and resid 32   and name HN  ))
   (( segid "SH2 " and resid 33   and name HB1 ))
      4.100     2.000     1.900 peak  4076 weight  0.10000E+01 volume  0.84423E-03 ppm1      7.880 ppm2      1.830 CV     1
 OR { 4076}
   (( segid "SH2 " and resid 32   and name HN  ))
   (( segid "SH2 " and resid 114  and name HB1 ))
 OR { 4076}
   (( segid "SH2 " and resid 32   and name HN  ))
   (( segid "SH2 " and resid 114  and name HB2 ))
 ASSI { 3246}
   (( segid "SH2 " and resid 94   and name HN  ))
   (( segid "SH2 " and resid 94   and name HG  ))
      3.400     1.900     1.900 peak  3246 weight  0.10000E+01 volume  0.93135E-03 ppm1      9.370 ppm2      0.690 CV     1
 OR { 3246}
   (( segid "SH2 " and resid 94   and name HN  ))
   (  segid "SH2 " and resid 84   and name HD1%)
 ASSI { 3249}
   (( segid "SH2 " and resid 94   and name HN  ))
   (( segid "SH2 " and resid 84   and name HB2 ))
      5.000     2.900     1.000 peak  3249 weight  0.10000E+01 volume  0.25747E-03 ppm1      9.370 ppm2      1.600 CV     1
 OR { 3249}
   (( segid "SH2 " and resid 94   and name HN  ))
   (  segid "SH2 " and resid 96   and name HB% )
 OR { 3249}
   (( segid "SH2 " and resid 94   and name HN  ))
   (( segid "SH2 " and resid 84   and name HB1 ))
 ASSI { 2829}
   (( segid "SH2 " and resid 53   and name HN  ))
   (( segid "SH2 " and resid 54   and name HA  ))
      3.400     1.800     1.800 peak  2829 weight  0.10000E+01 volume  0.12348E-02 ppm1      8.060 ppm2      4.800 CV     1
 OR { 2829}
   (( segid "SH2 " and resid 53   and name HN  ))
   (( segid "SH2 " and resid 49   and name HA  ))
 ASSI { 2431}
   (( segid "SH2 " and resid 20   and name HN  ))
   (( segid "SH2 " and resid 17   and name HB2 ))
      4.200     1.900     1.800 peak  2431 weight  0.10000E+01 volume  0.10004E-02 ppm1      8.250 ppm2      1.240 CV     1
 OR { 2431}
   (( segid "SH2 " and resid 20   and name HN  ))
   (  segid "SH2 " and resid 21   and name HG1%)
 ASSI {  804}
   (( segid "SH2 " and resid 20   and name HN  ))
   (( segid "SH2 " and resid 23   and name HG  ))
      2.700     2.700     3.300 peak   804 weight  0.10000E+01 volume  0.99141E-02 ppm1      8.270 ppm2      0.940 CV     1
 OR {  804}
   (( segid "SH2 " and resid 20   and name HN  ))
   (  segid "SH2 " and resid 54   and name HG1%)
 ASSI { 4149}
   (( segid "SH2 " and resid 112  and name HN  ))
   (( segid "SH2 " and resid 111  and name HG  ))
      3.700     1.600     1.600 peak  4149 weight  0.10000E+01 volume  0.16614E-02 ppm1      9.100 ppm2      0.820 CV     1
 OR { 4149}
   (( segid "SH2 " and resid 112  and name HN  ))
   (  segid "SH2 " and resid 112  and name HD1%)
 ASSI { 3574}
   (( segid "SH2 " and resid 48   and name HN  ))
   (  segid "SH2 " and resid 45   and name HG1%)
      4.800     2.300     1.200 peak  3574 weight  0.10000E+01 volume  0.52275E-03 ppm1      8.780 ppm2      1.210 CV     1
 OR { 3574}
   (( segid "SH2 " and resid 48   and name HN  ))
   (  segid "SH2 " and resid 109  and name HG2%)
 ASSI { 4155}
   (( segid "SH2 " and resid 25   and name HN  ))
   (  segid "SH2 " and resid 54   and name HG1%)
      3.200     1.200     1.200 peak  4155 weight  0.10000E+01 volume  0.44764E-02 ppm1      8.680 ppm2      0.960 CV     1
 OR { 4155}
   (( segid "SH2 " and resid 25   and name HN  ))
   (  segid "SH2 " and resid 21   and name HG2%)
 OR { 4155}
   (( segid "SH2 " and resid 25   and name HN  ))
   (( segid "SH2 " and resid 23   and name HG  ))
 ASSI { 4157}
   (( segid "SH2 " and resid 25   and name HN  ))
   (( segid "SH2 " and resid 24   and name HB2 ))
      3.200     1.800     1.800 peak  4157 weight  0.10000E+01 volume  0.11867E-02 ppm1      8.680 ppm2      1.480 CV     1
 OR { 4157}
   (( segid "SH2 " and resid 25   and name HN  ))
   (( segid "SH2 " and resid 23   and name HB2 ))
 ASSI { 4161}
   (( segid "SH2 " and resid 56   and name HN  ))
   (  segid "SH2 " and resid 48   and name HG2%)
      4.300     2.400     1.700 peak  4161 weight  0.10000E+01 volume  0.47167E-03 ppm1      8.490 ppm2      0.920 CV     1
 OR { 4161}
   (( segid "SH2 " and resid 56   and name HN  ))
   (  segid "SH2 " and resid 54   and name HG1%)
 ASSI { 2428}
   (( segid "SH2 " and resid 19   and name HN  ))
   (( segid "SH2 " and resid 22   and name HN  ))
      4.400     2.800     1.600 peak  2428 weight  0.10000E+01 volume  0.27579E-03 ppm1      7.880 ppm2      7.640 CV     1
 OR { 2428}
   (( segid "SH2 " and resid 19   and name HN  ))
   (( segid "SH2 " and resid 17   and name HE  ))
 ASSI { 3909}
   (( segid "SH2 " and resid 100  and name HN  ))
   (( segid "SH2 " and resid 98   and name HB2 ))
      4.500     2.500     1.500 peak  3909 weight  0.10000E+01 volume  0.38455E-03 ppm1      7.540 ppm2      0.700 CV     1
 OR { 3909}
   (( segid "SH2 " and resid 100  and name HN  ))
   (  segid "SH2 " and resid 97   and name HD1%)
 OR { 3909}
   (( segid "SH2 " and resid 100  and name HN  ))
   (  segid "SH2 " and resid 103  and name HD1%)
 ASSI { 4169}
   (( segid "SH2 " and resid 100  and name HN  ))
   (  segid "SH2 " and resid 96   and name HB% )
      4.000     2.200     2.000 peak  4169 weight  0.10000E+01 volume  0.65494E-03 ppm1      7.540 ppm2      1.590 CV     1
 OR { 4169}
   (( segid "SH2 " and resid 100  and name HN  ))
   (( segid "SH2 " and resid 102  and name HB1 ))
 OR { 4169}
   (( segid "SH2 " and resid 100  and name HN  ))
   (( segid "SH2 " and resid 102  and name HB2 ))
 ASSI { 3910}
   (( segid "SH2 " and resid 100  and name HN  ))
   (  segid "SH2 " and resid 111  and name HD2%)
      4.800     2.500     1.200 peak  3910 weight  0.10000E+01 volume  0.40257E-03 ppm1      7.540 ppm2     -0.010 CV     1
 OR { 3910}
   (( segid "SH2 " and resid 100  and name HN  ))
   (  segid "SH2 " and resid 98   and name HD2%)
 ASSI { 4172}
   (( segid "SH2 " and resid 19   and name HN  ))
   (  segid "SH2 " and resid 20   and name HB% )
      4.000     1.800     1.800 peak  4172 weight  0.10000E+01 volume  0.11656E-02 ppm1      7.880 ppm2      1.430 CV     1
 OR { 4172}
   (( segid "SH2 " and resid 19   and name HN  ))
   (  segid "SH2 " and resid 22   and name HB% )
 ASSI { 4170}
   (( segid "SH2 " and resid 100  and name HN  ))
   (( segid "SH2 " and resid 98   and name HG  ))
      5.000     2.500     1.000 peak  4170 weight  0.10000E+01 volume  0.38756E-03 ppm1      7.540 ppm2      1.240 CV     1
 OR { 4170}
   (( segid "SH2 " and resid 100  and name HN  ))
   (( segid "SH2 " and resid 46   and name HB2 ))
 ASSI { 2466}
   (( segid "SH2 " and resid 22   and name HN  ))
   (  segid "SH2 " and resid 24   and name HD1%)
      4.900     2.700     1.100 peak  2466 weight  0.10000E+01 volume  0.31545E-03 ppm1      7.650 ppm2      0.520 CV     1
 OR { 2466}
   (( segid "SH2 " and resid 90   and name HN  ))
   (  segid "SH2 " and resid 97   and name HD2%)
 OR { 2466}
   (( segid "SH2 " and resid 22   and name HN  ))
   (  segid "SH2 " and resid 15   and name HD2%)
 ASSI { 3228}
   (( segid "SH2 " and resid 89   and name HN  ))
   (( segid "SH2 " and resid 90   and name HB2 ))
      4.900     2.600     1.100 peak  3228 weight  0.10000E+01 volume  0.36652E-03 ppm1      8.280 ppm2      1.630 CV     1
 OR { 3228}
   (( segid "SH2 " and resid 89   and name HN  ))
   (( segid "SH2 " and resid 85   and name HB2 ))
 ASSI { 3263}
   (( segid "SH2 " and resid 40   and name HN  ))
   (( segid "SH2 " and resid 39   and name HA  ))
      3.200     1.700     1.700 peak  3263 weight  0.10000E+01 volume  0.15052E-02 ppm1      7.620 ppm2      4.420 CV     1
 OR { 3263}
   (( segid "SH2 " and resid 40   and name HN  ))
   (( segid "SH2 " and resid 38   and name HA  ))
 ASSI { 2728}
   (( segid "SH2 " and resid 44   and name HN  ))
   (  segid "SH2 " and resid 45   and name HG2%)
      4.100     2.400     1.900 peak  2728 weight  0.10000E+01 volume  0.49270E-03 ppm1      8.760 ppm2      0.910 CV     1
 OR { 2728}
   (( segid "SH2 " and resid 44   and name HN  ))
   (  segid "SH2 " and resid 84   and name HD2%)
 ASSI { 3850}
   (( segid "SH2 " and resid 45   and name HN  ))
   (  segid "SH2 " and resid 46   and name HD2%)
      4.700     2.600     1.300 peak  3850 weight  0.10000E+01 volume  0.37854E-03 ppm1      9.790 ppm2      0.380 CV     1
 OR { 3850}
   (( segid "SH2 " and resid 45   and name HN  ))
   (  segid "SH2 " and resid 94   and name HD2%)
 ASSI { 4201}
   (( segid "SH2 " and resid 96   and name HN  ))
   (( segid "SH2 " and resid 98   and name HG  ))
      4.700     2.700     1.300 peak  4201 weight  0.10000E+01 volume  0.31545E-03 ppm1      7.270 ppm2      1.210 CV     1
 OR { 4201}
   (( segid "SH2 " and resid 96   and name HN  ))
   (( segid "SH2 " and resid 84   and name HG  ))
 ASSI { 4195}
   (( segid "SH2 " and resid 92   and name HN  ))
   (  segid "SH2 " and resid 84   and name HD1%)
      5.100     2.700     0.900 peak  4195 weight  0.10000E+01 volume  0.33949E-03 ppm1      9.140 ppm2      0.710 CV     1
 OR { 4195}
   (( segid "SH2 " and resid 92   and name HN  ))
   (  segid "SH2 " and resid 97   and name HD1%)
 ASSI { 4196}
   (( segid "SH2 " and resid 92   and name HN  ))
   (( segid "SH2 " and resid 93   and name HA  ))
      4.900     2.700     1.100 peak  4196 weight  0.10000E+01 volume  0.30945E-03 ppm1      9.140 ppm2      4.570 CV     1
 OR { 4196}
   (( segid "SH2 " and resid 92   and name HN  ))
   (( segid "SH2 " and resid 83   and name HA  ))
 ASSI { 4203}
   (( segid "SH2 " and resid 96   and name HN  ))
   (( segid "SH2 " and resid 98   and name HB2 ))
      4.700     2.500     1.300 peak  4203 weight  0.10000E+01 volume  0.40558E-03 ppm1      7.280 ppm2      0.700 CV     1
 OR { 4203}
   (( segid "SH2 " and resid 96   and name HN  ))
   (  segid "SH2 " and resid 84   and name HD1%)
 OR { 4203}
   (( segid "SH2 " and resid 96   and name HN  ))
   (  segid "SH2 " and resid 97   and name HD1%)
 ASSI { 4210}
   (( segid "SH2 " and resid 92   and name HN  ))
   (( segid "SH2 " and resid 93   and name HB2 ))
      5.200     2.800     0.800 peak  4210 weight  0.10000E+01 volume  0.28150E-03 ppm1      9.140 ppm2      4.030 CV     1
 OR { 4210}
   (( segid "SH2 " and resid 92   and name HN  ))
   (( segid "SH2 " and resid 93   and name HB1 ))
 OR { 4210}
   (( segid "SH2 " and resid 92   and name HN  ))
   (( segid "SH2 " and resid 96   and name HA  ))
 ASSI { 4216}
   (( segid "SH2 " and resid 102  and name HN  ))
   (  segid "SH2 " and resid 103  and name HD1%)
      4.600     2.500     1.400 peak  4216 weight  0.10000E+01 volume  0.39957E-03 ppm1      7.340 ppm2      0.690 CV     1
 OR { 4216}
   (( segid "SH2 " and resid 102  and name HN  ))
   (( segid "SH2 " and resid 98   and name HB2 ))
 ASSI { 4220}
   (( segid "SH2 " and resid 98   and name HN  ))
   (( segid "SH2 " and resid 98   and name HB2 ))
      2.700     1.400     1.400 peak  4220 weight  0.10000E+01 volume  0.24005E-02 ppm1      7.840 ppm2      0.700 CV     1
 OR { 4220}
   (( segid "SH2 " and resid 98   and name HN  ))
   (  segid "SH2 " and resid 97   and name HD1%)
 ASSI { 4229}
   (( segid "SH2 " and resid 111  and name HN  ))
   (  segid "SH2 " and resid 32   and name HD% )
      5.700     2.900     0.300 peak  4229 weight  0.10000E+01 volume  0.26678E-03 ppm1      8.940 ppm2      6.740 CV     1
 OR { 4229}
   (( segid "SH2 " and resid 111  and name HN  ))
   (( segid "SH2 " and resid 103  and name HN  ))
 ASSI { 4235}
   (( segid "SH2 " and resid 87   and name HN  ))
   (( segid "SH2 " and resid 86   and name HN  ))
      3.800     1.700     1.700 peak  4235 weight  0.10000E+01 volume  0.15472E-02 ppm1      9.360 ppm2      8.600 CV     1
 OR { 4235}
   (( segid "SH2 " and resid 87   and name HN  ))
   (( segid "SH2 " and resid 88   and name HN  ))
 ASSI { 4242}
   (( segid "SH2 " and resid 101  and name HN  ))
   (( segid "SH2 " and resid 106  and name HB2 ))
      4.600     2.000     1.400 peak  4242 weight  0.10000E+01 volume  0.79917E-03 ppm1      7.450 ppm2      1.250 CV     1
 OR { 4242}
   (( segid "SH2 " and resid 101  and name HN  ))
   (( segid "SH2 " and resid 46   and name HB2 ))
 ASSI { 4243}
   (( segid "SH2 " and resid 101  and name HN  ))
   (( segid "SH2 " and resid 103  and name HN  ))
      3.900     2.100     2.100 peak  4243 weight  0.10000E+01 volume  0.76611E-03 ppm1      7.450 ppm2      6.730 CV     1
 OR { 4243}
   (( segid "SH2 " and resid 101  and name HN  ))
   (  segid "SH2 " and resid 57   and name HD% )
 ASSI { 4241}
   (( segid "SH2 " and resid 101  and name HN  ))
   (( segid "SH2 " and resid 97   and name HA  ))
      3.800     2.000     2.000 peak  4241 weight  0.10000E+01 volume  0.79611E-03 ppm1      7.460 ppm2      1.970 CV     1
 OR { 4241}
   (( segid "SH2 " and resid 101  and name HN  ))
   (( segid "SH2 " and resid 99   and name HB1 ))
 OR { 4241}
   (( segid "SH2 " and resid 101  and name HN  ))
   (( segid "SH2 " and resid 99   and name HB2 ))
 ASSI { 3690}
   (( segid "SH2 " and resid 101  and name HN  ))
   (  segid "SH2 " and resid 106  and name HD1%)
      4.800     2.500     1.200 peak  3690 weight  0.10000E+01 volume  0.38756E-03 ppm1      7.460 ppm2      0.370 CV     1
 OR { 3690}
   (( segid "SH2 " and resid 101  and name HN  ))
   (  segid "SH2 " and resid 46   and name HD2%)
 ASSI { 2424}
   (( segid "SH2 " and resid 18   and name HN  ))
   (  segid "SH2 " and resid 20   and name HB% )
      4.400     2.300     1.600 peak  2424 weight  0.10000E+01 volume  0.51373E-03 ppm1      8.570 ppm2      1.420 CV     1
 OR { 2424}
   (( segid "SH2 " and resid 18   and name HN  ))
   (  segid "SH2 " and resid 22   and name HB% )
 ASSI { 4293}
   (( segid "SH2 " and resid 33   and name HN  ))
   (  segid "SH2 " and resid 34   and name HG1%)
      4.700     2.200     1.300 peak  4293 weight  0.10000E+01 volume  0.62788E-03 ppm1      9.340 ppm2      1.210 CV     1
 OR { 4293}
   (( segid "SH2 " and resid 33   and name HN  ))
   (  segid "SH2 " and resid 45   and name HG1%)
 OR { 4293}
   (( segid "SH2 " and resid 33   and name HN  ))
   (( segid "SH2 " and resid 98   and name HG  ))
 OR { 4293}
   (( segid "SH2 " and resid 33   and name HN  ))
   (( segid "SH2 " and resid 111  and name HB2 ))
 ASSI { 4297}
   (( segid "SH2 " and resid 110  and name HN  ))
   (  segid "SH2 " and resid 112  and name HD1%)
      4.400     2.600     1.600 peak  4297 weight  0.10000E+01 volume  0.35150E-03 ppm1      7.230 ppm2      0.820 CV     1
 OR { 4297}
   (( segid "SH2 " and resid 110  and name HN  ))
   (( segid "SH2 " and resid 111  and name HG  ))
 ASSI { 4311}
   (( segid "SH2 " and resid 103  and name HN  ))
   (( segid "SH2 " and resid 102  and name HG2 ))
      4.500     2.500     1.500 peak  4311 weight  0.10000E+01 volume  0.41760E-03 ppm1      6.760 ppm2      1.220 CV     1
 OR { 4311}
   (( segid "SH2 " and resid 103  and name HN  ))
   (( segid "SH2 " and resid 102  and name HG1 ))
 OR { 4311}
   (( segid "SH2 " and resid 103  and name HN  ))
   (( segid "SH2 " and resid 111  and name HB2 ))
 ASSI { 4310}
   (( segid "SH2 " and resid 103  and name HN  ))
   (( segid "SH2 " and resid 104  and name HB1 ))
      5.400     2.900     0.600 peak  4310 weight  0.10000E+01 volume  0.26288E-03 ppm1      6.770 ppm2      2.980 CV     1
 OR { 4310}
   (( segid "SH2 " and resid 103  and name HN  ))
   (( segid "SH2 " and resid 100  and name HB1 ))
 ASSI { 4324}
   (( segid "SH2 " and resid 39   and name HN  ))
   (( segid "SH2 " and resid 37   and name HB1 ))
      4.800     2.700     1.200 peak  4324 weight  0.10000E+01 volume  0.33047E-03 ppm1      7.470 ppm2      3.250 CV     1
 OR { 4324}
   (( segid "SH2 " and resid 39   and name HN  ))
   (( segid "SH2 " and resid 40   and name HB2 ))
 ASSI { 4334}
   (( segid "SH2 " and resid 30   and name HN  ))
   (( segid "SH2 " and resid 49   and name HB1 ))
      3.700     1.900     1.900 peak  4334 weight  0.10000E+01 volume  0.99741E-03 ppm1      9.430 ppm2      4.380 CV     1
 OR { 4334}
   (( segid "SH2 " and resid 30   and name HN  ))
   (( segid "SH2 " and resid 111  and name HA  ))
 ASSI { 4354}
   (( segid "SH2 " and resid 10   and name HE1 ))
   (  segid "SH2 " and resid 34   and name HG1%)
      5.000     2.900     1.000 peak  4354 weight  0.10000E+01 volume  0.25536E-03 ppm1     10.540 ppm2      1.210 CV     1
 OR { 4354}
   (( segid "SH2 " and resid 10   and name HE1 ))
   (( segid "SH2 " and resid 98   and name HG  ))

  Entry H atom name         Submitted Coord H atom name
    1   1H    SER  12          HT1       SER  12  -9.752 -11.582   7.421
    2   2H    SER  12          HT2       SER  12 -10.157 -12.079   8.987
    3   3H    SER  12          HT3       SER  12 -10.139 -10.432   8.601
    4    HA   SER  12           HA       SER  12 -11.989 -12.447   7.461
    5   1HB   SER  12          HB2       SER  12 -12.020 -11.213   9.966
    6   2HB   SER  12          HB1       SER  12 -13.156 -10.271   9.000
    7    HG   SER  12           HG       SER  12 -13.187 -13.093   9.311
    8    H    TRP  13           HN       TRP  13 -11.206  -8.995   7.824
    9    HA   TRP  13           HA       TRP  13 -12.844  -8.359   5.497
   10   1HB   TRP  13          HB2       TRP  13 -12.280  -5.993   6.073
   11   2HB   TRP  13          HB1       TRP  13 -13.089  -6.865   7.370
   12    HD1  TRP  13           HD1      TRP  13 -11.936  -6.820   9.672
   13    HE1  TRP  13           HE1      TRP  13  -9.647  -6.037  10.554
   14    HE3  TRP  13           HE3      TRP  13  -9.642  -5.818   5.212
   15    HZ2  TRP  13           HZ2      TRP  13  -7.198  -5.123   9.500
   16    HZ3  TRP  13           HZ3      TRP  13  -7.325  -4.993   5.239
   17    HH2  TRP  13           HH2      TRP  13  -6.130  -4.651   7.340
   18    H    TYR  14           HN       TYR  14  -9.563  -8.966   6.283
   19    HA   TYR  14           HA       TYR  14  -8.467  -7.453   4.081
   20   1HB   TYR  14          HB2       TYR  14  -7.100  -7.651   6.045
   21   2HB   TYR  14          HB1       TYR  14  -7.241  -9.405   6.033
   22    HD1  TYR  14           HD1      TYR  14  -6.705  -7.574   2.911
   23    HD2  TYR  14           HD2      TYR  14  -4.821  -9.682   6.091
   24    HE1  TYR  14           HE1      TYR  14  -4.643  -7.727   1.580
   25    HE2  TYR  14           HE2      TYR  14  -2.753  -9.840   4.768
   26    HH   TYR  14           HH       TYR  14  -1.662  -8.933   2.941
   27    H    TRP  15           HN       TRP  15  -9.265  -8.243   2.176
   28    HA   TRP  15           HA       TRP  15  -8.932 -11.103   1.618
   29   1HB   TRP  15          HB2       TRP  15 -10.576  -8.929   0.344
   30   2HB   TRP  15          HB1       TRP  15 -10.255 -10.438  -0.504
   31    HD1  TRP  15           HD1      TRP  15 -11.874  -9.231   2.803
   32    HE1  TRP  15           HE1      TRP  15 -13.726 -10.903   3.435
   33    HE3  TRP  15           HE3      TRP  15 -11.167 -12.672  -0.913
   34    HZ2  TRP  15           HZ2      TRP  15 -14.752 -13.355   2.485
   35    HZ3  TRP  15           HZ3      TRP  15 -12.626 -14.652  -0.979
   36    HH2  TRP  15           HH2      TRP  15 -14.381 -14.985   0.685
   37    H    GLY  16           HN       GLY  16  -6.998 -11.602   0.803
   38   1HA   GLY  16          HA2       GLY  16  -5.633  -9.662  -0.922
   39   2HA   GLY  16          HA1       GLY  16  -4.888 -11.049  -0.144
   40    H    ARG  17           HN       ARG  17  -5.321  -9.938  -3.034
   41    HA   ARG  17           HA       ARG  17  -5.224 -10.896  -5.099
   42   1HB   ARG  17          HB2       ARG  17  -4.710 -13.097  -3.339
   43   2HB   ARG  17          HB1       ARG  17  -5.742 -13.646  -4.652
   44   1HG   ARG  17          HG2       ARG  17  -3.529 -11.980  -5.552
   45   2HG   ARG  17          HG1       ARG  17  -3.013 -13.452  -4.727
   46   1HD   ARG  17          HD2       ARG  17  -5.003 -14.388  -6.336
   47   2HD   ARG  17          HD1       ARG  17  -4.321 -13.101  -7.329
   48    HE   ARG  17           HE       ARG  17  -3.169 -15.625  -6.850
   49   1HH1  ARG  17          HH11      ARG  17  -2.308 -12.259  -7.079
   50   2HH1  ARG  17          HH12      ARG  17  -0.689 -12.575  -7.608
   51   1HH2  ARG  17          HH21      ARG  17  -1.039 -16.054  -7.547
   52   2HH2  ARG  17          HH22      ARG  17   0.032 -14.733  -7.875
   53    H    LEU  18           HN       LEU  18  -7.712 -10.114  -3.679
   54    HA   LEU  18           HA       LEU  18  -9.752 -11.893  -4.681
   55   1HB   LEU  18          HB2       LEU  18 -10.030 -10.641  -2.571
   56   2HB   LEU  18          HB1       LEU  18 -10.002  -9.138  -3.473
   57    HG   LEU  18           HG       LEU  18 -12.021 -10.387  -4.749
   58   1HD1  LEU  18          HD11      LEU  18 -13.315 -11.734  -3.384
   59   2HD1  LEU  18          HD12      LEU  18 -12.509 -11.193  -1.911
   60   3HD1  LEU  18          HD13      LEU  18 -11.679 -12.283  -3.022
   61   1HD2  LEU  18          HD21      LEU  18 -12.590  -8.307  -4.073
   62   2HD2  LEU  18          HD22      LEU  18 -11.836  -8.494  -2.490
   63   3HD2  LEU  18          HD23      LEU  18 -13.424  -9.197  -2.799
   64    H    SER  19           HN       SER  19 -10.318 -11.923  -6.745
   65    HA   SER  19           HA       SER  19  -9.627  -9.888  -8.593
   66   1HB   SER  19          HB2       SER  19 -10.302 -12.506  -8.837
   67   2HB   SER  19          HB1       SER  19 -11.805 -11.739  -9.348
   68    HG   SER  19           HG       SER  19 -10.860 -11.335 -11.167
   69    H    ARG  20           HN       ARG  20 -10.915  -8.391  -9.668
   70    HA   ARG  20           HA       ARG  20 -12.823  -7.028  -8.184
   71   1HB   ARG  20          HB2       ARG  20 -12.507  -7.042 -11.192
   72   2HB   ARG  20          HB1       ARG  20 -13.342  -5.813 -10.252
   73   1HG   ARG  20          HG2       ARG  20 -11.093  -5.504  -9.046
   74   2HG   ARG  20          HG1       ARG  20 -10.411  -6.386 -10.414
   75   1HD   ARG  20          HD2       ARG  20 -11.754  -3.714 -10.359
   76   2HD   ARG  20          HD1       ARG  20 -10.208  -4.171 -11.073
   77    HE   ARG  20           HE       ARG  20 -12.053  -5.583 -12.499
   78   1HH1  ARG  20          HH11      ARG  20 -11.591  -2.216 -11.740
   79   2HH1  ARG  20          HH12      ARG  20 -12.312  -1.652 -13.210
   80   1HH2  ARG  20          HH21      ARG  20 -13.005  -4.852 -14.438
   81   2HH2  ARG  20          HH22      ARG  20 -13.117  -3.150 -14.744
   82    H    GLN  21           HN       GLN  21 -13.337  -9.252 -10.918
   83    HA   GLN  21           HA       GLN  21 -16.118  -9.145 -10.979
   84   1HB   GLN  21          HB2       GLN  21 -14.240 -10.431 -12.441
   85   2HB   GLN  21          HB1       GLN  21 -14.888 -11.781 -11.520
   86   1HG   GLN  21          HG2       GLN  21 -16.215 -11.825 -13.382
   87   2HG   GLN  21          HG1       GLN  21 -17.190 -10.843 -12.290
   88   1HE2  GLN  21          HE21      GLN  21 -17.805  -8.892 -12.942
   89   2HE2  GLN  21          HE22      GLN  21 -17.223  -8.077 -14.350
   90    H    GLU  22           HN       GLU  22 -13.955 -10.922  -8.884
   91    HA   GLU  22           HA       GLU  22 -15.905 -12.686  -7.803
   92   1HB   GLU  22          HB2       GLU  22 -13.298 -11.750  -6.591
   93   2HB   GLU  22          HB1       GLU  22 -14.239 -13.138  -6.063
   94   1HG   GLU  22          HG2       GLU  22 -13.438 -13.091  -8.903
   95   2HG   GLU  22          HG1       GLU  22 -12.152 -13.317  -7.718
   96    H    ALA  23           HN       ALA  23 -14.424  -9.697  -6.548
   97    HA   ALA  23           HA       ALA  23 -15.767  -9.472  -4.160
   98   1HB   ALA  23          HB1       ALA  23 -15.563  -6.907  -5.518
   99   2HB   ALA  23          HB2       ALA  23 -14.083  -7.860  -5.628
  100   3HB   ALA  23          HB3       ALA  23 -14.771  -7.478  -4.049
  101    H    VAL  24           HN       VAL  24 -16.797  -8.032  -7.260
  102    HA   VAL  24           HA       VAL  24 -19.247  -7.032  -6.406
  103    HB   VAL  24           HB       VAL  24 -18.581  -8.112  -9.149
  104   1HG1  VAL  24          HG11      VAL  24 -20.367  -6.751  -9.976
  105   2HG1  VAL  24          HG12      VAL  24 -20.649  -6.059  -8.379
  106   3HG1  VAL  24          HG13      VAL  24 -21.006  -7.760  -8.678
  107   1HG2  VAL  24          HG21      VAL  24 -18.561  -5.227  -8.795
  108   2HG2  VAL  24          HG22      VAL  24 -17.365  -6.283  -9.547
  109   3HG2  VAL  24          HG23      VAL  24 -17.354  -6.041  -7.800
  110    H    ALA  25           HN       ALA  25 -18.468 -10.207  -7.789
  111    HA   ALA  25           HA       ALA  25 -21.079 -11.223  -7.868
  112   1HB   ALA  25          HB1       ALA  25 -18.855 -13.098  -7.301
  113   2HB   ALA  25          HB2       ALA  25 -18.749 -12.129  -8.771
  114   3HB   ALA  25          HB3       ALA  25 -20.136 -13.187  -8.510
  115    H    LEU  26           HN       LEU  26 -18.952 -10.693  -5.211
  116    HA   LEU  26           HA       LEU  26 -20.391 -12.536  -3.472
  117   1HB   LEU  26          HB2       LEU  26 -18.008 -10.744  -3.039
  118   2HB   LEU  26          HB1       LEU  26 -18.764 -11.651  -1.742
  119    HG   LEU  26           HG       LEU  26 -17.761 -13.044  -4.205
  120   1HD1  LEU  26          HD11      LEU  26 -16.179 -12.189  -1.793
  121   2HD1  LEU  26          HD12      LEU  26 -15.838 -11.859  -3.492
  122   3HD1  LEU  26          HD13      LEU  26 -15.681 -13.499  -2.863
  123   1HD2  LEU  26          HD21      LEU  26 -19.079 -14.471  -2.911
  124   2HD2  LEU  26          HD22      LEU  26 -18.456 -13.823  -1.393
  125   3HD2  LEU  26          HD23      LEU  26 -17.430 -14.841  -2.405
  126    H    LEU  27           HN       LEU  27 -19.816  -9.057  -3.822
  127    HA   LEU  27           HA       LEU  27 -21.535  -8.386  -1.616
  128   1HB   LEU  27          HB2       LEU  27 -20.015  -6.836  -3.674
  129   2HB   LEU  27          HB1       LEU  27 -21.254  -6.033  -2.729
  130    HG   LEU  27           HG       LEU  27 -19.993  -6.933  -0.669
  131   1HD1  LEU  27          HD11      LEU  27 -18.519  -8.264  -2.521
  132   2HD1  LEU  27          HD12      LEU  27 -17.977  -7.890  -0.885
  133   3HD1  LEU  27          HD13      LEU  27 -17.512  -6.846  -2.228
  134   1HD2  LEU  27          HD21      LEU  27 -20.031  -4.553  -1.798
  135   2HD2  LEU  27          HD22      LEU  27 -18.345  -4.940  -2.139
  136   3HD2  LEU  27          HD23      LEU  27 -18.926  -4.921  -0.474
  137    H    GLN  28           HN       GLN  28 -21.914  -8.923  -5.004
  138    HA   GLN  28           HA       GLN  28 -24.099  -7.393  -5.675
  139   1HB   GLN  28          HB2       GLN  28 -22.944  -8.802  -7.290
  140   2HB   GLN  28          HB1       GLN  28 -23.514 -10.250  -6.472
  141   1HG   GLN  28          HG2       GLN  28 -25.177 -10.245  -7.940
  142   2HG   GLN  28          HG1       GLN  28 -25.840  -8.899  -7.015
  143   1HE2  GLN  28          HE21      GLN  28 -25.781  -6.859  -7.854
  144   2HE2  GLN  28          HE22      GLN  28 -25.281  -6.508  -9.470
  145    H    GLY  29           HN       GLY  29 -26.038  -7.176  -4.786
  146   1HA   GLY  29          HA2       GLY  29 -28.099  -7.783  -3.927
  147   2HA   GLY  29          HA1       GLY  29 -27.611  -9.466  -4.042
  148    H    GLN  30           HN       GLN  30 -25.310  -7.624  -2.383
  149    HA   GLN  30           HA       GLN  30 -26.137  -8.828   0.136
  150   1HB   GLN  30          HB2       GLN  30 -23.625  -7.350  -0.660
  151   2HB   GLN  30          HB1       GLN  30 -23.915  -8.015   0.941
  152   1HG   GLN  30          HG2       GLN  30 -23.647  -9.529  -1.641
  153   2HG   GLN  30          HG1       GLN  30 -22.536  -9.532  -0.273
  154   1HE2  GLN  30          HE21      GLN  30 -24.108 -11.674  -1.652
  155   2HE2  GLN  30          HE22      GLN  30 -24.956 -12.482  -0.382
  156    H    ARG  31           HN       ARG  31 -27.042  -7.780   1.753
  157    HA   ARG  31           HA       ARG  31 -28.184  -5.291   1.561
  158   1HB   ARG  31          HB2       ARG  31 -28.696  -7.037   3.274
  159   2HB   ARG  31          HB1       ARG  31 -27.226  -6.578   4.122
  160   1HG   ARG  31          HG2       ARG  31 -29.172  -4.431   3.518
  161   2HG   ARG  31          HG1       ARG  31 -29.604  -5.605   4.764
  162   1HD   ARG  31          HD2       ARG  31 -26.936  -4.934   5.248
  163   2HD   ARG  31          HD1       ARG  31 -27.746  -3.411   4.880
  164    HE   ARG  31           HE       ARG  31 -28.117  -5.056   7.210
  165   1HH1  ARG  31          HH11      ARG  31 -29.542  -2.634   5.154
  166   2HH1  ARG  31          HH12      ARG  31 -30.608  -2.034   6.380
  167   1HH2  ARG  31          HH21      ARG  31 -29.518  -4.276   8.832
  168   2HH2  ARG  31          HH22      ARG  31 -30.594  -2.968   8.472
  169    H    HIS  32           HN       HIS  32 -27.701  -3.321   2.892
  170    HA   HIS  32           HA       HIS  32 -25.121  -2.343   2.231
  171   1HB   HIS  32          HB2       HIS  32 -26.941  -0.998   4.207
  172   2HB   HIS  32          HB1       HIS  32 -25.854  -0.266   3.031
  173    HD1  HIS  32           HD1      HIS  32 -29.165  -0.119   3.507
  174    HD2  HIS  32           HD2      HIS  32 -26.996  -1.646   0.309
  175    HE1  HIS  32           HE1      HIS  32 -30.738  -0.075   1.546
  176    HE2  HIS  32           HE2      HIS  32 -29.379  -0.930  -0.396
  177    H    GLY  33           HN       GLY  33 -23.413  -1.708   3.569
  178   1HA   GLY  33          HA2       GLY  33 -22.470  -1.452   5.794
  179   2HA   GLY  33          HA1       GLY  33 -23.480  -2.793   6.312
  180    H    VAL  34           HN       VAL  34 -22.713  -4.094   3.616
  181    HA   VAL  34           HA       VAL  34 -20.483  -5.569   4.685
  182    HB   VAL  34           HB       VAL  34 -22.296  -6.698   3.444
  183   1HG1  VAL  34          HG11      VAL  34 -21.163  -5.571   0.908
  184   2HG1  VAL  34          HG12      VAL  34 -22.465  -4.750   1.770
  185   3HG1  VAL  34          HG13      VAL  34 -22.702  -6.392   1.171
  186   1HG2  VAL  34          HG21      VAL  34 -20.703  -8.233   3.212
  187   2HG2  VAL  34          HG22      VAL  34 -19.461  -6.998   3.005
  188   3HG2  VAL  34          HG23      VAL  34 -20.382  -7.566   1.612
  189    H    PHE  35           HN       PHE  35 -18.407  -5.148   4.343
  190    HA   PHE  35           HA       PHE  35 -17.547  -3.940   1.835
  191   1HB   PHE  35          HB2       PHE  35 -16.321  -2.149   2.869
  192   2HB   PHE  35          HB1       PHE  35 -17.986  -2.061   3.435
  193    HD1  PHE  35           HD1      PHE  35 -18.547  -2.527   5.732
  194    HD2  PHE  35           HD2      PHE  35 -14.528  -2.809   4.361
  195    HE1  PHE  35           HE1      PHE  35 -17.759  -2.569   8.062
  196    HE2  PHE  35           HE2      PHE  35 -13.733  -2.853   6.689
  197    HZ   PHE  35           HZ       PHE  35 -15.349  -2.732   8.543
  198    H    LEU  36           HN       LEU  36 -15.224  -4.082   1.503
  199    HA   LEU  36           HA       LEU  36 -13.577  -5.539   3.322
  200   1HB   LEU  36          HB2       LEU  36 -13.360  -7.597   2.214
  201   2HB   LEU  36          HB1       LEU  36 -15.086  -7.310   2.313
  202    HG   LEU  36           HG       LEU  36 -14.802  -6.335  -0.091
  203   1HD1  LEU  36          HD11      LEU  36 -12.833  -8.208  -0.841
  204   2HD1  LEU  36          HD12      LEU  36 -12.158  -7.242   0.470
  205   3HD1  LEU  36          HD13      LEU  36 -12.777  -6.451  -0.979
  206   1HD2  LEU  36          HD21      LEU  36 -16.069  -8.144  -0.362
  207   2HD2  LEU  36          HD22      LEU  36 -15.251  -8.997   0.947
  208   3HD2  LEU  36          HD23      LEU  36 -14.584  -9.038  -0.685
  209    H    VAL  37           HN       VAL  37 -11.397  -5.647   2.658
  210    HA   VAL  37           HA       VAL  37 -10.735  -3.710   0.585
  211    HB   VAL  37           HB       VAL  37  -9.665  -3.579   2.838
  212   1HG1  VAL  37          HG11      VAL  37  -9.425  -5.956   3.283
  213   2HG1  VAL  37          HG12      VAL  37  -7.860  -5.149   3.375
  214   3HG1  VAL  37          HG13      VAL  37  -8.276  -6.106   1.954
  215   1HG2  VAL  37          HG21      VAL  37  -8.136  -3.765   0.295
  216   2HG2  VAL  37          HG22      VAL  37  -7.238  -3.565   1.799
  217   3HG2  VAL  37          HG23      VAL  37  -8.448  -2.371   1.329
  218    H    ARG  38           HN       ARG  38  -9.369  -4.151  -1.164
  219    HA   ARG  38           HA       ARG  38  -8.455  -6.866  -1.612
  220   1HB   ARG  38          HB2       ARG  38  -9.660  -7.227  -3.653
  221   2HB   ARG  38          HB1       ARG  38 -10.828  -6.832  -2.399
  222   1HG   ARG  38          HG2       ARG  38 -11.126  -4.636  -3.249
  223   2HG   ARG  38          HG1       ARG  38  -9.754  -4.809  -4.346
  224   1HD   ARG  38          HD2       ARG  38 -10.990  -6.635  -5.500
  225   2HD   ARG  38          HD1       ARG  38 -12.380  -6.284  -4.473
  226    HE   ARG  38           HE       ARG  38 -12.863  -4.529  -5.841
  227   1HH1  ARG  38          HH11      ARG  38  -9.497  -5.333  -6.224
  228   2HH1  ARG  38          HH12      ARG  38  -9.235  -4.192  -7.501
  229   1HH2  ARG  38          HH21      ARG  38 -12.531  -3.024  -7.524
  230   2HH2  ARG  38          HH22      ARG  38 -10.961  -2.879  -8.240
  231    H    ASP  39           HN       ASP  39  -6.857  -7.032  -3.192
  232    HA   ASP  39           HA       ASP  39  -5.357  -4.658  -3.659
  233   1HB   ASP  39          HB2       ASP  39  -4.842  -7.405  -3.692
  234   2HB   ASP  39          HB1       ASP  39  -4.578  -6.881  -5.352
  235    H    SER  40           HN       SER  40  -5.378  -3.301  -5.339
  236    HA   SER  40           HA       SER  40  -7.397  -3.423  -7.300
  237   1HB   SER  40          HB2       SER  40  -6.713  -1.249  -6.906
  238   2HB   SER  40          HB1       SER  40  -5.007  -1.689  -6.827
  239    HG   SER  40           HG       SER  40  -6.546  -1.751  -9.208
  240    H    SER  41           HN       SER  41  -7.225  -3.681  -9.576
  241    HA   SER  41           HA       SER  41  -5.353  -5.760 -10.324
  242   1HB   SER  41          HB2       SER  41  -7.576  -4.456 -11.916
  243   2HB   SER  41          HB1       SER  41  -6.661  -5.881 -12.408
  244    HG   SER  41           HG       SER  41  -8.588  -5.604 -10.391
  245    H    THR  42           HN       THR  42  -6.209  -2.510 -11.499
  246    HA   THR  42           HA       THR  42  -3.806  -2.475 -13.158
  247    HB   THR  42           HB       THR  42  -5.883  -1.681 -14.185
  248    HG1  THR  42           HG1      THR  42  -5.005   0.553 -14.656
  249   1HG2  THR  42          HG21      THR  42  -7.287  -0.181 -13.262
  250   2HG2  THR  42          HG22      THR  42  -5.970   0.831 -12.666
  251   3HG2  THR  42          HG23      THR  42  -6.468  -0.595 -11.756
  252    H    SER  43           HN       SER  43  -3.808  -2.294 -10.159
  253    HA   SER  43           HA       SER  43  -2.025   0.004  -9.993
  254   1HB   SER  43          HB2       SER  43  -3.987  -0.318  -7.759
  255   2HB   SER  43          HB1       SER  43  -3.123   1.123  -8.292
  256    HG   SER  43           HG       SER  43  -5.578   0.328  -8.948
  257    HA   PRO  44           HA       PRO  44  -0.118  -3.593  -7.928
  258   1HB   PRO  44          HB2       PRO  44   2.424  -2.622  -8.123
  259   2HB   PRO  44          HB1       PRO  44   1.618  -3.507  -9.423
  260   1HG   PRO  44          HG2       PRO  44   1.962  -0.555  -9.070
  261   2HG   PRO  44          HG1       PRO  44   2.132  -1.535 -10.539
  262   1HD   PRO  44          HD2       PRO  44  -0.081  -0.080 -10.033
  263   2HD   PRO  44          HD1       PRO  44  -0.150  -1.635 -10.888
  264    H    GLY  45           HN       GLY  45   0.271  -3.832  -5.802
  265   1HA   GLY  45          HA2       GLY  45   0.597  -3.309  -3.592
  266   2HA   GLY  45          HA1       GLY  45   1.651  -2.023  -4.161
  267    H    ASP  46           HN       ASP  46  -1.766  -2.282  -4.933
  268    HA   ASP  46           HA       ASP  46  -2.303  -0.001  -3.153
  269   1HB   ASP  46          HB2       ASP  46  -2.904  -0.303  -6.071
  270   2HB   ASP  46          HB1       ASP  46  -3.990   0.646  -5.060
  271    H    TYR  47           HN       TYR  47  -4.092  -0.165  -1.936
  272    HA   TYR  47           HA       TYR  47  -5.689  -2.591  -2.200
  273   1HB   TYR  47          HB2       TYR  47  -5.137  -0.643  -0.017
  274   2HB   TYR  47          HB1       TYR  47  -6.684  -1.482   0.018
  275    HD1  TYR  47           HD1      TYR  47  -3.448  -1.595   1.214
  276    HD2  TYR  47           HD2      TYR  47  -6.397  -4.136  -0.500
  277    HE1  TYR  47           HE1      TYR  47  -2.354  -3.544   2.238
  278    HE2  TYR  47           HE2      TYR  47  -5.312  -6.092   0.521
  279    HH   TYR  47           HH       TYR  47  -2.725  -5.765   2.829
  280    H    VAL  48           HN       VAL  48  -8.078  -2.356  -1.701
  281    HA   VAL  48           HA       VAL  48  -9.237   0.122  -2.727
  282    HB   VAL  48           HB       VAL  48 -10.150  -2.516  -3.848
  283   1HG1  VAL  48          HG11      VAL  48 -11.295  -1.214  -5.456
  284   2HG1  VAL  48          HG12      VAL  48 -10.429   0.251  -4.993
  285   3HG1  VAL  48          HG13      VAL  48 -11.614  -0.457  -3.895
  286   1HG2  VAL  48          HG21      VAL  48  -8.255  -0.623  -5.223
  287   2HG2  VAL  48          HG22      VAL  48  -8.804  -2.202  -5.785
  288   3HG2  VAL  48          HG23      VAL  48  -7.735  -2.086  -4.386
  289    H    LEU  49           HN       LEU  49 -11.130   0.647  -1.774
  290    HA   LEU  49           HA       LEU  49 -12.107  -1.135   0.315
  291   1HB   LEU  49          HB2       LEU  49 -12.095   1.744  -0.167
  292   2HB   LEU  49          HB1       LEU  49 -13.644   1.159   0.407
  293    HG   LEU  49           HG       LEU  49 -11.986   1.981   2.159
  294   1HD1  LEU  49          HD11      LEU  49 -13.817   0.880   3.029
  295   2HD1  LEU  49          HD12      LEU  49 -12.480  -0.106   3.621
  296   3HD1  LEU  49          HD13      LEU  49 -13.418  -0.639   2.226
  297   1HD2  LEU  49          HD21      LEU  49 -10.338   0.096   0.879
  298   2HD2  LEU  49          HD22      LEU  49 -10.698  -0.555   2.478
  299   3HD2  LEU  49          HD23      LEU  49  -9.980   1.048   2.320
  300    H    SER  50           HN       SER  50 -13.621  -2.555  -0.224
  301    HA   SER  50           HA       SER  50 -15.494  -1.940  -2.379
  302   1HB   SER  50          HB2       SER  50 -15.526  -4.551  -0.923
  303   2HB   SER  50          HB1       SER  50 -15.813  -4.215  -2.630
  304    HG   SER  50           HG       SER  50 -13.554  -3.799  -2.821
  305    H    VAL  51           HN       VAL  51 -17.658  -1.699  -2.106
  306    HA   VAL  51           HA       VAL  51 -18.894  -2.264   0.460
  307    HB   VAL  51           HB       VAL  51 -19.912   0.091   0.466
  308   1HG1  VAL  51          HG11      VAL  51 -18.431  -0.594   2.210
  309   2HG1  VAL  51          HG12      VAL  51 -17.938   1.018   1.691
  310   3HG1  VAL  51          HG13      VAL  51 -17.023  -0.396   1.167
  311   1HG2  VAL  51          HG21      VAL  51 -17.671   1.464  -0.529
  312   2HG2  VAL  51          HG22      VAL  51 -19.315   1.473  -1.168
  313   3HG2  VAL  51          HG23      VAL  51 -18.139   0.308  -1.776
  314    H    SER  52           HN       SER  52 -20.780  -3.191   0.046
  315    HA   SER  52           HA       SER  52 -21.955  -3.072  -2.570
  316   1HB   SER  52          HB2       SER  52 -21.948  -5.124  -1.120
  317   2HB   SER  52          HB1       SER  52 -23.114  -4.320  -0.069
  318    HG   SER  52           HG       SER  52 -23.716  -5.760  -2.089
  319    H    GLU  53           HN       GLU  53 -22.752  -1.069  -3.020
  320    HA   GLU  53           HA       GLU  53 -24.306   0.437  -1.145
  321   1HB   GLU  53          HB2       GLU  53 -22.940   1.016  -3.480
  322   2HB   GLU  53          HB1       GLU  53 -24.625   1.181  -3.952
  323   1HG   GLU  53          HG2       GLU  53 -24.809   3.122  -2.903
  324   2HG   GLU  53          HG1       GLU  53 -24.139   2.454  -1.415
  325    H    ASN  54           HN       ASN  54 -26.348   1.415  -2.865
  326    HA   ASN  54           HA       ASN  54 -28.323  -0.625  -2.437
  327   1HB   ASN  54          HB2       ASN  54 -29.862   1.116  -3.482
  328   2HB   ASN  54          HB1       ASN  54 -29.039   1.593  -2.000
  329   1HD2  ASN  54          HD21      ASN  54 -29.794   2.497  -5.093
  330   2HD2  ASN  54          HD22      ASN  54 -28.634   3.760  -5.303
  331    H    SER  55           HN       SER  55 -27.496  -2.258  -3.867
  332    HA   SER  55           HA       SER  55 -27.844  -3.523  -5.745
  333   1HB   SER  55          HB2       SER  55 -28.827  -1.243  -7.397
  334   2HB   SER  55          HB1       SER  55 -29.375  -2.919  -7.350
  335    HG   SER  55           HG       SER  55 -30.890  -2.243  -6.078
  336    H    ARG  56           HN       ARG  56 -25.600  -1.440  -5.183
  337    HA   ARG  56           HA       ARG  56 -24.128  -2.058  -7.599
  338   1HB   ARG  56          HB2       ARG  56 -23.354   0.474  -7.545
  339   2HB   ARG  56          HB1       ARG  56 -24.762  -0.034  -8.466
  340   1HG   ARG  56          HG2       ARG  56 -26.174   1.136  -7.187
  341   2HG   ARG  56          HG1       ARG  56 -25.345   0.694  -5.693
  342   1HD   ARG  56          HD2       ARG  56 -23.991   2.514  -5.745
  343   2HD   ARG  56          HD1       ARG  56 -23.921   2.545  -7.507
  344    HE   ARG  56           HE       ARG  56 -26.494   3.262  -6.461
  345   1HH1  ARG  56          HH11      ARG  56 -23.313   4.435  -7.253
  346   2HH1  ARG  56          HH12      ARG  56 -23.828   6.075  -7.467
  347   1HH2  ARG  56          HH21      ARG  56 -27.185   5.418  -6.741
  348   2HH2  ARG  56          HH22      ARG  56 -26.031   6.634  -7.176
  349    H    VAL  57           HN       VAL  57 -22.102  -2.596  -7.097
  350    HA   VAL  57           HA       VAL  57 -21.163  -2.056  -4.381
  351    HB   VAL  57           HB       VAL  57 -21.109  -4.388  -5.215
  352   1HG1  VAL  57          HG11      VAL  57 -18.862  -3.552  -7.023
  353   2HG1  VAL  57          HG12      VAL  57 -20.529  -3.657  -7.588
  354   3HG1  VAL  57          HG13      VAL  57 -19.717  -5.094  -6.967
  355   1HG2  VAL  57          HG21      VAL  57 -19.382  -3.230  -3.593
  356   2HG2  VAL  57          HG22      VAL  57 -18.254  -3.618  -4.891
  357   3HG2  VAL  57          HG23      VAL  57 -19.174  -4.904  -4.109
  358    H    SER  58           HN       SER  58 -19.969  -0.298  -4.094
  359    HA   SER  58           HA       SER  58 -18.449   0.839  -6.293
  360   1HB   SER  58          HB2       SER  58 -19.840   1.999  -4.263
  361   2HB   SER  58          HB1       SER  58 -18.202   2.052  -3.610
  362    HG   SER  58           HG       SER  58 -19.258   3.681  -5.365
  363    H    HIS  59           HN       HIS  59 -16.186   1.495  -5.981
  364    HA   HIS  59           HA       HIS  59 -14.685  -0.013  -3.996
  365   1HB   HIS  59          HB2       HIS  59 -13.112  -0.724  -5.963
  366   2HB   HIS  59          HB1       HIS  59 -14.549  -1.675  -5.601
  367    HD1  HIS  59           HD1      HIS  59 -13.576   1.172  -7.935
  368    HD2  HIS  59           HD2      HIS  59 -16.086  -2.135  -7.777
  369    HE1  HIS  59           HE1      HIS  59 -14.659   1.042 -10.200
  370    HE2  HIS  59           HE2      HIS  59 -16.109  -1.016 -10.109
  371    H    TYR  60           HN       TYR  60 -13.675   1.657  -3.061
  372    HA   TYR  60           HA       TYR  60 -12.612   3.842  -4.648
  373   1HB   TYR  60          HB2       TYR  60 -12.536   3.342  -1.664
  374   2HB   TYR  60          HB1       TYR  60 -11.983   4.812  -2.459
  375    HD1  TYR  60           HD1      TYR  60 -13.661   6.245  -3.670
  376    HD2  TYR  60           HD2      TYR  60 -14.821   3.017  -1.152
  377    HE1  TYR  60           HE1      TYR  60 -15.931   7.180  -3.526
  378    HE2  TYR  60           HE2      TYR  60 -17.094   3.943  -1.001
  379    HH   TYR  60           HH       TYR  60 -18.206   6.146  -1.255
  380    H    ILE  61           HN       ILE  61 -10.429   4.357  -4.857
  381    HA   ILE  61           HA       ILE  61  -8.635   2.090  -4.654
  382    HB   ILE  61           HB       ILE  61  -8.616   3.427  -6.696
  383   1HG1  ILE  61          HG12      ILE  61  -5.971   4.141  -5.589
  384   2HG1  ILE  61          HG11      ILE  61  -6.447   2.459  -5.372
  385   1HG2  ILE  61          HG21      ILE  61  -8.670   5.600  -4.885
  386   2HG2  ILE  61          HG22      ILE  61  -8.755   5.638  -6.646
  387   3HG2  ILE  61          HG23      ILE  61  -7.191   5.731  -5.836
  388   1HD1  ILE  61          HD11      ILE  61  -6.559   3.821  -8.041
  389   2HD1  ILE  61          HD12      ILE  61  -6.587   2.094  -7.684
  390   3HD1  ILE  61          HD13      ILE  61  -5.106   3.020  -7.441
  391    H    ILE  62           HN       ILE  62  -7.006   1.837  -3.247
  392    HA   ILE  62           HA       ILE  62  -6.302   4.086  -1.486
  393    HB   ILE  62           HB       ILE  62  -6.725   1.229  -0.593
  394   1HG1  ILE  62          HG12      ILE  62  -8.409   2.577   0.937
  395   2HG1  ILE  62          HG11      ILE  62  -8.357   3.726  -0.396
  396   1HG2  ILE  62          HG21      ILE  62  -5.487   3.601   0.702
  397   2HG2  ILE  62          HG22      ILE  62  -5.063   1.893   0.825
  398   3HG2  ILE  62          HG23      ILE  62  -6.461   2.519   1.698
  399   1HD1  ILE  62          HD11      ILE  62  -9.000   1.881  -1.925
  400   2HD1  ILE  62          HD12      ILE  62 -10.217   2.272  -0.711
  401   3HD1  ILE  62          HD13      ILE  62  -9.200   0.845  -0.513
  402    H    ASN  63           HN       ASN  63  -4.167   4.084  -0.689
  403    HA   ASN  63           HA       ASN  63  -2.326   2.439  -2.281
  404   1HB   ASN  63          HB2       ASN  63  -2.220   5.196  -1.187
  405   2HB   ASN  63          HB1       ASN  63  -0.704   4.300  -1.213
  406   1HD2  ASN  63          HD21      ASN  63  -3.499   4.735  -3.364
  407   2HD2  ASN  63          HD22      ASN  63  -2.568   5.051  -4.785
  408    H    SER  64           HN       SER  64  -0.767   1.189  -1.340
  409    HA   SER  64           HA       SER  64  -0.446   1.258   1.560
  410   1HB   SER  64          HB2       SER  64  -2.030  -0.706   0.223
  411   2HB   SER  64          HB1       SER  64  -0.577  -1.494   0.840
  412    HG   SER  64           HG       SER  64  -1.969  -1.530   2.516
  413    H    SER  65           HN       SER  65   1.514   0.449   2.295
  414    HA   SER  65           HA       SER  65   3.703   0.655   0.570
  415   1HB   SER  65          HB2       SER  65   5.048   0.132   2.420
  416   2HB   SER  65          HB1       SER  65   3.604   0.833   3.152
  417    HG   SER  65           HG       SER  65   3.785  -0.981   4.271
  418    H    GLY  66           HN       GLY  66   5.175  -0.903  -0.206
  419   1HA   GLY  66          HA2       GLY  66   3.914  -3.285  -1.193
  420   2HA   GLY  66          HA1       GLY  66   5.572  -2.785  -1.488
  421    HA   PRO  67           HA       PRO  67   7.112  -5.987   1.113
  422   1HB   PRO  67          HB2       PRO  67   8.858  -4.019   2.464
  423   2HB   PRO  67          HB1       PRO  67   9.289  -5.479   1.569
  424   1HG   PRO  67          HG2       PRO  67   9.694  -3.020   0.571
  425   2HG   PRO  67          HG1       PRO  67   9.285  -4.395  -0.452
  426   1HD   PRO  67          HD2       PRO  67   7.575  -2.133   0.422
  427   2HD   PRO  67          HD1       PRO  67   7.546  -3.046  -1.096
  428    H    ARG  68           HN       ARG  68   7.333  -6.663   3.352
  429    HA   ARG  68           HA       ARG  68   5.226  -5.660   4.988
  430   1HB   ARG  68          HB2       ARG  68   7.198  -7.856   5.118
  431   2HB   ARG  68          HB1       ARG  68   6.660  -7.239   6.674
  432   1HG   ARG  68          HG2       ARG  68   4.589  -7.855   4.642
  433   2HG   ARG  68          HG1       ARG  68   5.409  -9.205   5.429
  434   1HD   ARG  68          HD2       ARG  68   4.840  -7.573   7.543
  435   2HD   ARG  68          HD1       ARG  68   3.449  -7.306   6.493
  436    HE   ARG  68           HE       ARG  68   2.696  -9.344   7.155
  437   1HH1  ARG  68          HH11      ARG  68   6.170  -9.345   7.383
  438   2HH1  ARG  68          HH12      ARG  68   6.260 -10.961   8.000
  439   1HH2  ARG  68          HH21      ARG  68   2.801 -11.473   7.969
  440   2HH2  ARG  68          HH22      ARG  68   4.343 -12.171   8.334
  441    HA   PRO  69           HA       PRO  69   9.090  -4.147   7.653
  442   1HB   PRO  69          HB2       PRO  69  10.921  -3.494   5.424
  443   2HB   PRO  69          HB1       PRO  69  11.272  -4.230   6.991
  444   1HG   PRO  69          HG2       PRO  69  11.291  -5.607   4.691
  445   2HG   PRO  69          HG1       PRO  69  10.822  -6.344   6.235
  446   1HD   PRO  69          HD2       PRO  69   9.127  -5.498   3.943
  447   2HD   PRO  69          HD1       PRO  69   8.886  -6.819   5.103
  448    HA   PRO  70           HA       PRO  70   7.685  -0.090   6.375
  449   1HB   PRO  70          HB2       PRO  70   8.077   1.191   8.691
  450   2HB   PRO  70          HB1       PRO  70   6.803  -0.025   8.536
  451   1HG   PRO  70          HG2       PRO  70   9.493  -0.247   9.810
  452   2HG   PRO  70          HG1       PRO  70   7.946  -0.942  10.325
  453   1HD   PRO  70          HD2       PRO  70   9.943  -2.295   8.928
  454   2HD   PRO  70          HD1       PRO  70   8.247  -2.803   9.049
  455    H    VAL  71           HN       VAL  71   8.875   1.360   5.223
  456    HA   VAL  71           HA       VAL  71  11.697   1.324   5.446
  457    HB   VAL  71           HB       VAL  71  10.270   1.805   3.349
  458   1HG1  VAL  71          HG11      VAL  71   9.869   4.082   2.782
  459   2HG1  VAL  71          HG12      VAL  71  10.662   4.652   4.251
  460   3HG1  VAL  71          HG13      VAL  71   9.124   3.796   4.355
  461   1HG2  VAL  71          HG21      VAL  71  12.165   2.973   2.342
  462   2HG2  VAL  71          HG22      VAL  71  12.686   1.669   3.417
  463   3HG2  VAL  71          HG23      VAL  71  12.785   3.352   3.954
  464    HA   PRO  72           HA       PRO  72  11.960   4.526   8.518
  465   1HB   PRO  72          HB2       PRO  72  14.727   4.496   8.649
  466   2HB   PRO  72          HB1       PRO  72  13.646   3.458   9.573
  467   1HG   PRO  72          HG2       PRO  72  15.439   2.730   7.452
  468   2HG   PRO  72          HG1       PRO  72  14.412   1.680   8.432
  469   1HD   PRO  72          HD2       PRO  72  14.011   2.634   5.702
  470   2HD   PRO  72          HD1       PRO  72  13.179   1.333   6.578
  471    HA   PRO  73           HA       PRO  73  13.019   8.221   6.348
  472   1HB   PRO  73          HB2       PRO  73  13.568   9.917   8.351
  473   2HB   PRO  73          HB1       PRO  73  11.941   9.270   8.105
  474   1HG   PRO  73          HG2       PRO  73  14.045   8.418  10.056
  475   2HG   PRO  73          HG1       PRO  73  12.302   8.622  10.308
  476   1HD   PRO  73          HD2       PRO  73  13.512   6.200   9.868
  477   2HD   PRO  73          HD1       PRO  73  11.817   6.546   9.474
  478    H    SER  74           HN       SER  74  14.714   9.894   6.054
  479    HA   SER  74           HA       SER  74  17.359   8.675   6.285
  480   1HB   SER  74          HB2       SER  74  17.237  11.204   4.838
  481   2HB   SER  74          HB1       SER  74  17.815   9.628   4.298
  482    HG   SER  74           HG       SER  74  15.275  10.769   4.089
  483    HA   PRO  75           HA       PRO  75  19.271  11.331   9.222
  484   1HB   PRO  75          HB2       PRO  75  20.812  12.663   7.039
  485   2HB   PRO  75          HB1       PRO  75  21.389  11.956   8.553
  486   1HG   PRO  75          HG2       PRO  75  21.713  10.667   6.249
  487   2HG   PRO  75          HG1       PRO  75  21.294   9.789   7.731
  488   1HD   PRO  75          HD2       PRO  75  19.583  10.487   5.393
  489   2HD   PRO  75          HD1       PRO  75  19.535   9.056   6.442
  490    H    ALA  76           HN       ALA  76  19.486  13.567   9.940
  491    HA   ALA  76           HA       ALA  76  17.244  15.116   9.482
  492   1HB   ALA  76          HB1       ALA  76  18.936  16.997  10.369
  493   2HB   ALA  76          HB2       ALA  76  19.853  15.551  10.793
  494   3HB   ALA  76          HB3       ALA  76  18.217  15.771  11.414
  495    H    GLN  77           HN       GLN  77  20.136  14.899   7.611
  496    HA   GLN  77           HA       GLN  77  19.974  17.432   6.330
  497   1HB   GLN  77          HB2       GLN  77  21.615  15.048   6.151
  498   2HB   GLN  77          HB1       GLN  77  21.231  15.675   4.554
  499   1HG   GLN  77          HG2       GLN  77  22.108  17.857   5.190
  500   2HG   GLN  77          HG1       GLN  77  22.476  17.243   6.801
  501   1HE2  GLN  77          HE21      GLN  77  24.565  18.252   5.758
  502   2HE2  GLN  77          HE22      GLN  77  25.637  17.089   5.063
  503    HA   PRO  78           HA       PRO  78  17.118  17.166   2.990
  504   1HB   PRO  78          HB2       PRO  78  19.324  16.606   1.055
  505   2HB   PRO  78          HB1       PRO  78  18.021  17.797   0.960
  506   1HG   PRO  78          HG2       PRO  78  20.489  18.545   1.611
  507   2HG   PRO  78          HG1       PRO  78  19.080  19.269   2.407
  508   1HD   PRO  78          HD2       PRO  78  21.021  17.264   3.445
  509   2HD   PRO  78          HD1       PRO  78  20.139  18.538   4.311
  510    HA   PRO  79           HA       PRO  79  16.840  12.678   2.605
  511   1HB   PRO  79          HB2       PRO  79  14.185  12.489   2.561
  512   2HB   PRO  79          HB1       PRO  79  15.037  12.943   4.042
  513   1HG   PRO  79          HG2       PRO  79  13.560  14.666   2.100
  514   2HG   PRO  79          HG1       PRO  79  13.612  14.760   3.869
  515   1HD   PRO  79          HD2       PRO  79  15.121  16.320   2.124
  516   2HD   PRO  79          HD1       PRO  79  15.477  16.063   3.842
  517    HA   PRO  80           HA       PRO  80  16.391  12.828  -1.902
  518   1HB   PRO  80          HB2       PRO  80  17.581  10.473  -2.426
  519   2HB   PRO  80          HB1       PRO  80  18.510  11.909  -1.980
  520   1HG   PRO  80          HG2       PRO  80  17.691   9.581  -0.286
  521   2HG   PRO  80          HG1       PRO  80  19.247  10.428  -0.346
  522   1HD   PRO  80          HD2       PRO  80  17.351  10.883   1.570
  523   2HD   PRO  80          HD1       PRO  80  18.527  12.103   1.045
  524    H    GLY  81           HN       GLY  81  14.597  12.289  -2.979
  525   1HA   GLY  81          HA2       GLY  81  12.596  11.264  -3.472
  526   2HA   GLY  81          HA1       GLY  81  13.543   9.787  -3.382
  527    H    VAL  82           HN       VAL  82  12.563  12.094  -0.859
  528    HA   VAL  82           HA       VAL  82  11.994  10.097   1.037
  529    HB   VAL  82           HB       VAL  82  12.481  12.457   1.617
  530   1HG1  VAL  82          HG11      VAL  82   9.632  13.123   0.985
  531   2HG1  VAL  82          HG12      VAL  82  10.891  13.296  -0.238
  532   3HG1  VAL  82          HG13      VAL  82  10.995  14.206   1.269
  533   1HG2  VAL  82          HG21      VAL  82  10.233  10.890   2.695
  534   2HG2  VAL  82          HG22      VAL  82  10.287  12.583   3.186
  535   3HG2  VAL  82          HG23      VAL  82  11.665  11.529   3.503
  536    H    SER  83           HN       SER  83  10.388   8.682   1.028
  537    HA   SER  83           HA       SER  83   7.685   9.545   0.421
  538   1HB   SER  83          HB2       SER  83   8.501   8.860  -1.781
  539   2HB   SER  83          HB1       SER  83   9.014   7.306  -1.125
  540    HG   SER  83           HG       SER  83   6.737   7.015  -0.550
  541    HA   PRO  84           HA       PRO  84   7.870   6.825   4.140
  542   1HB   PRO  84          HB2       PRO  84   5.167   8.056   4.347
  543   2HB   PRO  84          HB1       PRO  84   6.407   7.847   5.589
  544   1HG   PRO  84          HG2       PRO  84   5.966  10.237   4.503
  545   2HG   PRO  84          HG1       PRO  84   7.613   9.700   4.884
  546   1HD   PRO  84          HD2       PRO  84   6.232   9.856   2.241
  547   2HD   PRO  84          HD1       PRO  84   7.931  10.172   2.648
  548    H    SER  85           HN       SER  85   6.616   4.987   4.738
  549    HA   SER  85           HA       SER  85   5.133   3.855   2.487
  550   1HB   SER  85          HB2       SER  85   6.508   2.663   4.880
  551   2HB   SER  85          HB1       SER  85   5.345   1.724   3.944
  552    HG   SER  85           HG       SER  85   7.467   3.077   2.676
  553    H    ARG  86           HN       ARG  86   4.331   5.603   5.140
  554    HA   ARG  86           HA       ARG  86   2.360   4.227   6.491
  555   1HB   ARG  86          HB2       ARG  86   2.651   7.131   5.771
  556   2HB   ARG  86          HB1       ARG  86   1.267   6.559   6.692
  557   1HG   ARG  86          HG2       ARG  86   3.418   5.453   8.015
  558   2HG   ARG  86          HG1       ARG  86   3.993   7.053   7.543
  559   1HD   ARG  86          HD2       ARG  86   2.403   8.143   8.799
  560   2HD   ARG  86          HD1       ARG  86   1.279   6.786   8.746
  561    HE   ARG  86           HE       ARG  86   2.204   6.035  10.686
  562   1HH1  ARG  86          HH11      ARG  86   4.500   8.124   9.109
  563   2HH1  ARG  86          HH12      ARG  86   5.647   8.058  10.405
  564   1HH2  ARG  86          HH21      ARG  86   3.706   5.940  12.399
  565   2HH2  ARG  86          HH22      ARG  86   5.196   6.816  12.276
  566    H    LEU  87           HN       LEU  87  -0.048   4.705   6.334
  567    HA   LEU  87           HA       LEU  87  -0.918   3.945   3.679
  568   1HB   LEU  87          HB2       LEU  87  -1.838   3.538   6.334
  569   2HB   LEU  87          HB1       LEU  87  -3.107   4.380   5.467
  570    HG   LEU  87           HG       LEU  87  -3.199   1.835   5.478
  571   1HD1  LEU  87          HD11      LEU  87  -4.666   2.396   3.905
  572   2HD1  LEU  87          HD12      LEU  87  -3.384   2.094   2.732
  573   3HD1  LEU  87          HD13      LEU  87  -3.660   3.728   3.335
  574   1HD2  LEU  87          HD21      LEU  87  -1.753   0.584   4.178
  575   2HD2  LEU  87          HD22      LEU  87  -0.667   1.761   4.917
  576   3HD2  LEU  87          HD23      LEU  87  -1.208   1.982   3.253
  577    H    ARG  88           HN       ARG  88  -2.437   5.067   2.424
  578    HA   ARG  88           HA       ARG  88  -3.145   7.777   3.247
  579   1HB   ARG  88          HB2       ARG  88  -1.067   8.118   2.072
  580   2HB   ARG  88          HB1       ARG  88  -1.610   7.118   0.732
  581   1HG   ARG  88          HG2       ARG  88  -3.253   9.483   1.420
  582   2HG   ARG  88          HG1       ARG  88  -1.688   9.764   0.656
  583   1HD   ARG  88          HD2       ARG  88  -2.652   7.777  -0.901
  584   2HD   ARG  88          HD1       ARG  88  -4.153   8.581  -0.440
  585    HE   ARG  88           HE       ARG  88  -2.503  10.609  -1.225
  586   1HH1  ARG  88          HH11      ARG  88  -3.661   7.668  -2.687
  587   2HH1  ARG  88          HH12      ARG  88  -3.612   8.297  -4.300
  588   1HH2  ARG  88          HH21      ARG  88  -2.434  11.448  -3.345
  589   2HH2  ARG  88          HH22      ARG  88  -2.914  10.447  -4.675
  590    H    ILE  89           HN       ILE  89  -5.049   8.505   2.415
  591    HA   ILE  89           HA       ILE  89  -6.312   7.203   0.172
  592    HB   ILE  89           HB       ILE  89  -6.904   5.650   1.962
  593   1HG1  ILE  89          HG12      ILE  89  -9.282   5.622   1.614
  594   2HG1  ILE  89          HG11      ILE  89  -9.307   7.350   1.275
  595   1HG2  ILE  89          HG21      ILE  89  -8.302   7.939   3.328
  596   2HG2  ILE  89          HG22      ILE  89  -6.700   7.363   3.789
  597   3HG2  ILE  89          HG23      ILE  89  -8.093   6.290   3.916
  598   1HD1  ILE  89          HD11      ILE  89  -7.644   5.619  -0.464
  599   2HD1  ILE  89          HD12      ILE  89  -8.551   7.082  -0.850
  600   3HD1  ILE  89          HD13      ILE  89  -9.397   5.548  -0.643
  601    H    GLY  90           HN       GLY  90  -7.094   8.859  -0.947
  602   1HA   GLY  90          HA2       GLY  90  -8.135  10.837  -1.467
  603   2HA   GLY  90          HA1       GLY  90  -9.056  10.615   0.014
  604    H    ASP  91           HN       ASP  91  -9.026  12.558   0.966
  605    HA   ASP  91           HA       ASP  91  -6.583  14.135   1.010
  606   1HB   ASP  91          HB2       ASP  91  -9.031  14.990   0.647
  607   2HB   ASP  91          HB1       ASP  91  -9.106  14.946   2.406
  608    H    GLN  92           HN       GLN  92  -6.896  11.587   2.595
  609    HA   GLN  92           HA       GLN  92  -5.830  12.654   5.070
  610   1HB   GLN  92          HB2       GLN  92  -8.527  11.904   4.947
  611   2HB   GLN  92          HB1       GLN  92  -7.712  10.563   5.740
  612   1HG   GLN  92          HG2       GLN  92  -7.230  13.377   6.624
  613   2HG   GLN  92          HG1       GLN  92  -8.651  12.487   7.169
  614   1HE2  GLN  92          HE21      GLN  92  -8.229  10.369   8.179
  615   2HE2  GLN  92          HE22      GLN  92  -6.821  10.202   9.165
  616    H    GLU  93           HN       GLU  93  -4.603  11.151   6.262
  617    HA   GLU  93           HA       GLU  93  -3.937   8.702   4.767
  618   1HB   GLU  93          HB2       GLU  93  -2.195  10.380   6.582
  619   2HB   GLU  93          HB1       GLU  93  -1.701   8.865   5.839
  620   1HG   GLU  93          HG2       GLU  93  -1.236   9.845   3.898
  621   2HG   GLU  93          HG1       GLU  93  -2.732  10.776   3.909
  622    H    PHE  94           HN       PHE  94  -3.004   6.937   6.190
  623    HA   PHE  94           HA       PHE  94  -4.048   6.923   8.908
  624   1HB   PHE  94          HB2       PHE  94  -4.977   5.050   6.739
  625   2HB   PHE  94          HB1       PHE  94  -5.095   4.635   8.446
  626    HD1  PHE  94           HD1      PHE  94  -6.071   7.260   6.002
  627    HD2  PHE  94           HD2      PHE  94  -6.941   5.301   9.678
  628    HE1  PHE  94           HE1      PHE  94  -8.193   8.494   6.152
  629    HE2  PHE  94           HE2      PHE  94  -9.067   6.530   9.833
  630    HZ   PHE  94           HZ       PHE  94  -9.695   8.129   8.069
  631    H    ASP  95           HN       ASP  95  -3.397   4.899  10.080
  632    HA   ASP  95           HA       ASP  95  -0.606   4.451   9.652
  633   1HB   ASP  95          HB2       ASP  95  -1.861   4.563  11.895
  634   2HB   ASP  95          HB1       ASP  95  -2.328   2.896  11.570
  635    H    SER  96           HN       SER  96  -3.543   2.606   9.077
  636    HA   SER  96           HA       SER  96  -2.209   0.897   7.226
  637   1HB   SER  96          HB2       SER  96  -1.469  -0.169   9.321
  638   2HB   SER  96          HB1       SER  96  -3.151  -0.364   9.812
  639    HG   SER  96           HG       SER  96  -1.899  -1.531   7.547
  640    H    LEU  97           HN       LEU  97  -3.854  -1.177   6.949
  641    HA   LEU  97           HA       LEU  97  -6.129  -0.090   5.727
  642   1HB   LEU  97          HB2       LEU  97  -4.984  -2.731   6.153
  643   2HB   LEU  97          HB1       LEU  97  -6.737  -2.759   6.174
  644    HG   LEU  97           HG       LEU  97  -5.324  -1.362   3.939
  645   1HD1  LEU  97          HD11      LEU  97  -5.489  -3.574   2.703
  646   2HD1  LEU  97          HD12      LEU  97  -5.628  -4.329   4.290
  647   3HD1  LEU  97          HD13      LEU  97  -4.180  -3.414   3.873
  648   1HD2  LEU  97          HD21      LEU  97  -7.305  -1.646   2.791
  649   2HD2  LEU  97          HD22      LEU  97  -7.877  -1.417   4.444
  650   3HD2  LEU  97          HD23      LEU  97  -7.789  -3.040   3.758
  651    HA   PRO  98           HA       PRO  98  -8.444  -2.130   9.665
  652   1HB   PRO  98          HB2       PRO  98  -6.370  -1.081  11.541
  653   2HB   PRO  98          HB1       PRO  98  -7.396  -2.510  11.687
  654   1HG   PRO  98          HG2       PRO  98  -4.820  -2.714  10.993
  655   2HG   PRO  98          HG1       PRO  98  -6.054  -3.783  10.306
  656   1HD   PRO  98          HD2       PRO  98  -4.601  -1.522   9.055
  657   2HD   PRO  98          HD1       PRO  98  -5.304  -2.967   8.305
  658    H    ALA  99           HN       ALA  99  -6.359   0.729  10.133
  659    HA   ALA  99           HA       ALA  99  -8.355   2.305  11.372
  660   1HB   ALA  99          HB1       ALA  99  -6.831   4.108  11.220
  661   2HB   ALA  99          HB2       ALA  99  -5.984   3.374   9.858
  662   3HB   ALA  99          HB3       ALA  99  -5.852   2.662  11.466
  663    H    LEU 100           HN       LEU 100  -7.291   1.928   8.034
  664    HA   LEU 100           HA       LEU 100  -8.725   4.037   6.886
  665   1HB   LEU 100          HB2       LEU 100  -7.017   2.126   5.959
  666   2HB   LEU 100          HB1       LEU 100  -8.540   1.560   5.300
  667    HG   LEU 100           HG       LEU 100  -7.634   2.885   3.602
  668   1HD1  LEU 100          HD11      LEU 100 -10.009   3.433   4.273
  669   2HD1  LEU 100          HD12      LEU 100  -9.167   4.655   3.318
  670   3HD1  LEU 100          HD13      LEU 100  -9.356   4.871   5.058
  671   1HD2  LEU 100          HD21      LEU 100  -7.169   5.277   5.298
  672   2HD2  LEU 100          HD22      LEU 100  -6.325   4.734   3.848
  673   3HD2  LEU 100          HD23      LEU 100  -6.011   3.951   5.397
  674    H    LEU 101           HN       LEU 101  -9.590   0.575   6.952
  675    HA   LEU 101           HA       LEU 101 -12.139   0.727   5.952
  676   1HB   LEU 101          HB2       LEU 101 -11.240  -1.053   8.219
  677   2HB   LEU 101          HB1       LEU 101 -12.626  -1.327   7.180
  678    HG   LEU 101           HG       LEU 101  -9.858  -1.150   6.031
  679   1HD1  LEU 101          HD11      LEU 101  -9.242  -3.106   6.872
  680   2HD1  LEU 101          HD12      LEU 101 -10.744  -3.857   6.335
  681   3HD1  LEU 101          HD13      LEU 101 -10.667  -3.070   7.911
  682   1HD2  LEU 101          HD21      LEU 101 -12.456  -1.499   4.985
  683   2HD2  LEU 101          HD22      LEU 101 -11.612  -3.037   4.806
  684   3HD2  LEU 101          HD23      LEU 101 -10.917  -1.565   4.128
  685    H    GLU 102           HN       GLU 102 -11.114   1.214   9.312
  686    HA   GLU 102           HA       GLU 102 -13.639   1.509  10.464
  687   1HB   GLU 102          HB2       GLU 102 -10.875   2.294  11.174
  688   2HB   GLU 102          HB1       GLU 102 -12.158   3.188  11.979
  689   1HG   GLU 102          HG2       GLU 102 -13.082   0.725  12.369
  690   2HG   GLU 102          HG1       GLU 102 -11.364   0.351  12.238
  691    H    PHE 103           HN       PHE 103 -11.537   3.879   8.895
  692    HA   PHE 103           HA       PHE 103 -12.999   6.186   9.470
  693   1HB   PHE 103          HB2       PHE 103 -10.766   6.298   8.517
  694   2HB   PHE 103          HB1       PHE 103 -11.325   5.525   7.038
  695    HD1  PHE 103           HD1      PHE 103 -12.950   8.233   8.988
  696    HD2  PHE 103           HD2      PHE 103 -10.940   7.131   5.403
  697    HE1  PHE 103           HE1      PHE 103 -13.455  10.443   8.031
  698    HE2  PHE 103           HE2      PHE 103 -11.440   9.339   4.439
  699    HZ   PHE 103           HZ       PHE 103 -12.699  10.999   5.754
  700    H    TYR 104           HN       TYR 104 -13.148   4.116   6.570
  701    HA   TYR 104           HA       TYR 104 -15.209   5.455   5.263
  702   1HB   TYR 104          HB2       TYR 104 -14.283   2.596   5.217
  703   2HB   TYR 104          HB1       TYR 104 -15.677   3.104   4.271
  704    HD1  TYR 104           HD1      TYR 104 -14.861   2.845   2.079
  705    HD2  TYR 104           HD2      TYR 104 -12.592   5.069   4.909
  706    HE1  TYR 104           HE1      TYR 104 -13.369   3.604   0.278
  707    HE2  TYR 104           HE2      TYR 104 -11.095   5.835   3.116
  708    HH   TYR 104           HH       TYR 104 -11.125   6.129   0.691
  709    H    LYS 105           HN       LYS 105 -15.308   3.123   7.870
  710    HA   LYS 105           HA       LYS 105 -18.141   2.698   7.719
  711   1HB   LYS 105          HB2       LYS 105 -16.381   1.106   8.688
  712   2HB   LYS 105          HB1       LYS 105 -16.400   2.137  10.112
  713   1HG   LYS 105          HG2       LYS 105 -18.543   1.521  10.695
  714   2HG   LYS 105          HG1       LYS 105 -18.960   1.027   9.053
  715   1HD   LYS 105          HD2       LYS 105 -18.694  -1.033   9.994
  716   2HD   LYS 105          HD1       LYS 105 -17.026  -0.735   9.498
  717   1HE   LYS 105          HE2       LYS 105 -17.847   0.236  12.176
  718   2HE   LYS 105          HE1       LYS 105 -17.681  -1.507  11.966
  719   1HZ   LYS 105          HZ1       LYS 105 -15.451  -0.419  10.787
  720   2HZ   LYS 105          HZ2       LYS 105 -15.519  -1.210  12.281
  721   3HZ   LYS 105          HZ3       LYS 105 -15.656   0.474  12.210
  722    H    ILE 106           HN       ILE 106 -16.024   4.942   9.310
  723    HA   ILE 106           HA       ILE 106 -18.158   5.915  11.049
  724    HB   ILE 106           HB       ILE 106 -15.300   6.864  10.820
  725   1HG1  ILE 106          HG12      ILE 106 -16.178   5.446  13.245
  726   2HG1  ILE 106          HG11      ILE 106 -16.138   4.447  11.796
  727   1HG2  ILE 106          HG21      ILE 106 -16.348   8.650  11.793
  728   2HG2  ILE 106          HG22      ILE 106 -15.989   7.683  13.223
  729   3HG2  ILE 106          HG23      ILE 106 -17.608   7.655  12.523
  730   1HD1  ILE 106          HD11      ILE 106 -13.748   5.749  11.650
  731   2HD1  ILE 106          HD12      ILE 106 -13.995   4.135  12.318
  732   3HD1  ILE 106          HD13      ILE 106 -13.954   5.536  13.389
  733    H    HIS 107           HN       HIS 107 -16.631   6.666   8.052
  734    HA   HIS 107           HA       HIS 107 -17.665   9.400   8.059
  735   1HB   HIS 107          HB2       HIS 107 -15.317   8.549   7.160
  736   2HB   HIS 107          HB1       HIS 107 -16.252   8.240   5.700
  737    HD1  HIS 107           HD1      HIS 107 -15.567  11.132   8.074
  738    HD2  HIS 107           HD2      HIS 107 -16.486  10.404   4.087
  739    HE1  HIS 107           HE1      HIS 107 -15.472  13.376   6.941
  740    HE2  HIS 107           HE2      HIS 107 -15.940  12.896   4.512
  741    H    TYR 108           HN       TYR 108 -18.578  10.082   5.814
  742    HA   TYR 108           HA       TYR 108 -20.662   8.126   5.114
  743   1HB   TYR 108          HB2       TYR 108 -20.633  11.130   5.176
  744   2HB   TYR 108          HB1       TYR 108 -21.809  10.265   4.192
  745    HD1  TYR 108           HD1      TYR 108 -20.512  10.438   7.686
  746    HD2  TYR 108           HD2      TYR 108 -23.818   9.593   5.145
  747    HE1  TYR 108           HE1      TYR 108 -21.953  10.168   9.660
  748    HE2  TYR 108           HE2      TYR 108 -25.268   9.321   7.112
  749    HH   TYR 108           HH       TYR 108 -25.207  10.232   9.585
  750    H    LEU 109           HN       LEU 109 -18.250   7.732   3.899
  751    HA   LEU 109           HA       LEU 109 -17.743   9.056   1.510
  752   1HB   LEU 109          HB2       LEU 109 -16.696   6.878   2.824
  753   2HB   LEU 109          HB1       LEU 109 -17.365   6.157   1.371
  754    HG   LEU 109           HG       LEU 109 -16.039   8.172   0.227
  755   1HD1  LEU 109          HD11      LEU 109 -14.308   9.039   1.375
  756   2HD1  LEU 109          HD12      LEU 109 -14.006   7.544   2.260
  757   3HD1  LEU 109          HD13      LEU 109 -15.297   8.628   2.777
  758   1HD2  LEU 109          HD21      LEU 109 -15.689   5.409   0.556
  759   2HD2  LEU 109          HD22      LEU 109 -14.105   6.138   0.821
  760   3HD2  LEU 109          HD23      LEU 109 -14.978   6.447  -0.680
  761    H    ASP 110           HN       ASP 110 -19.280   5.859   1.704
  762    HA   ASP 110           HA       ASP 110 -20.782   6.494  -0.735
  763   1HB   ASP 110          HB2       ASP 110 -21.151   4.027  -0.864
  764   2HB   ASP 110          HB1       ASP 110 -19.451   4.485  -0.921
  765    H    THR 111           HN       THR 111 -22.915   4.956  -0.687
  766    HA   THR 111           HA       THR 111 -24.814   6.243   0.801
  767    HB   THR 111           HB       THR 111 -25.002   3.308   0.112
  768    HG1  THR 111           HG1      THR 111 -25.599   5.559  -1.536
  769   1HG2  THR 111          HG21      THR 111 -26.847   4.028   1.456
  770   2HG2  THR 111          HG22      THR 111 -27.415   3.916  -0.210
  771   3HG2  THR 111          HG23      THR 111 -27.049   5.491   0.492
  772    H    THR 112           HN       THR 112 -25.315   6.355   2.882
  773    HA   THR 112           HA       THR 112 -25.188   6.038   5.135
  774    HB   THR 112           HB       THR 112 -26.876   4.320   4.450
  775    HG1  THR 112           HG1      THR 112 -26.362   4.748   6.676
  776   1HG2  THR 112          HG21      THR 112 -26.098   1.917   4.711
  777   2HG2  THR 112          HG22      THR 112 -24.455   2.531   4.530
  778   3HG2  THR 112          HG23      THR 112 -25.621   2.733   3.222
  779    H    THR 113           HN       THR 113 -24.224   4.282   6.860
  780    HA   THR 113           HA       THR 113 -21.356   4.293   6.274
  781    HB   THR 113           HB       THR 113 -21.387   3.590   8.847
  782    HG1  THR 113           HG1      THR 113 -23.225   4.019   9.829
  783   1HG2  THR 113          HG21      THR 113 -20.322   5.594   7.923
  784   2HG2  THR 113          HG22      THR 113 -21.181   5.963   9.418
  785   3HG2  THR 113          HG23      THR 113 -21.888   6.403   7.863
  786    H    LEU 114           HN       LEU 114 -20.035   2.459   6.985
  787    HA   LEU 114           HA       LEU 114 -21.110  -0.007   6.032
  788   1HB   LEU 114          HB2       LEU 114 -18.482   0.860   7.172
  789   2HB   LEU 114          HB1       LEU 114 -18.824  -0.849   6.987
  790    HG   LEU 114           HG       LEU 114 -18.967  -0.675   4.629
  791   1HD1  LEU 114          HD11      LEU 114 -19.084   2.288   5.102
  792   2HD1  LEU 114          HD12      LEU 114 -20.251   1.259   4.272
  793   3HD1  LEU 114          HD13      LEU 114 -18.689   1.598   3.528
  794   1HD2  LEU 114          HD21      LEU 114 -16.781  -0.268   4.140
  795   2HD2  LEU 114          HD22      LEU 114 -16.672  -0.301   5.900
  796   3HD2  LEU 114          HD23      LEU 114 -16.742   1.243   5.050
  797    H    ILE 115           HN       ILE 115 -21.198  -2.013   7.217
  798    HA   ILE 115           HA       ILE 115 -21.842  -1.600  10.063
  799    HB   ILE 115           HB       ILE 115 -22.956  -3.701   8.201
  800   1HG1  ILE 115          HG12      ILE 115 -24.253  -1.226   9.365
  801   2HG1  ILE 115          HG11      ILE 115 -23.782  -1.440   7.682
  802   1HG2  ILE 115          HG21      ILE 115 -24.489  -4.204  10.045
  803   2HG2  ILE 115          HG22      ILE 115 -23.652  -3.028  11.057
  804   3HG2  ILE 115          HG23      ILE 115 -22.808  -4.474  10.503
  805   1HD1  ILE 115          HD11      ILE 115 -25.858  -2.139   7.343
  806   2HD1  ILE 115          HD12      ILE 115 -26.168  -2.308   9.071
  807   3HD1  ILE 115          HD13      ILE 115 -25.391  -3.618   8.182
  808    H    GLU 116           HN       GLU 116 -20.987  -4.330   7.922
  809    HA   GLU 116           HA       GLU 116 -18.745  -5.000   9.640
  810   1HB   GLU 116          HB2       GLU 116 -21.291  -6.399   9.752
  811   2HB   GLU 116          HB1       GLU 116 -19.971  -7.479   9.323
  812   1HG   GLU 116          HG2       GLU 116 -18.840  -6.165  11.373
  813   2HG   GLU 116          HG1       GLU 116 -20.535  -6.083  11.852
  814    HA   PRO 117           HA       PRO 117 -16.962  -6.429   5.877
  815   1HB   PRO 117          HB2       PRO 117 -15.440  -8.528   6.677
  816   2HB   PRO 117          HB1       PRO 117 -15.025  -6.849   7.043
  817   1HG   PRO 117          HG2       PRO 117 -16.363  -8.890   8.777
  818   2HG   PRO 117          HG1       PRO 117 -15.086  -7.731   9.194
  819   1HD   PRO 117          HD2       PRO 117 -17.690  -7.315   9.812
  820   2HD   PRO 117          HD1       PRO 117 -16.574  -5.987   9.435
  821    H    VAL 118           HN       VAL 118 -16.944  -8.116   4.295
  822    HA   VAL 118           HA       VAL 118 -19.295  -9.497   3.954
  823    HB   VAL 118           HB       VAL 118 -18.062 -10.929   2.315
  824   1HG1  VAL 118          HG11      VAL 118 -17.326  -8.985   0.877
  825   2HG1  VAL 118          HG12      VAL 118 -17.709  -7.943   2.248
  826   3HG1  VAL 118          HG13      VAL 118 -18.977  -8.910   1.494
  827   1HG2  VAL 118          HG21      VAL 118 -15.743 -10.668   1.938
  828   2HG2  VAL 118          HG22      VAL 118 -15.928 -10.907   3.675
  829   3HG2  VAL 118          HG23      VAL 118 -15.645  -9.289   3.034
  830    H    SER 119           HN       SER 119 -16.455 -10.456   5.737
  831    HA   SER 119           HA       SER 119 -17.245 -13.210   5.998
  832   1HB   SER 119          HB2       SER 119 -14.938 -11.588   6.688
  833   2HB   SER 119          HB1       SER 119 -15.392 -12.657   8.015
  834    HG   SER 119           HG       SER 119 -14.068 -13.290   5.838
  835    H    ARG 120           HN       ARG 120 -17.092 -14.005   8.471
  836    HA   ARG 120           HA       ARG 120 -18.557 -12.284  10.278
  837   1HB   ARG 120          HB2       ARG 120 -19.821 -14.534   8.817
  838   2HB   ARG 120          HB1       ARG 120 -20.188 -14.407  10.531
  839   1HG   ARG 120          HG2       ARG 120 -20.830 -12.010  10.099
  840   2HG   ARG 120          HG1       ARG 120 -20.710 -12.379   8.378
  841   1HD   ARG 120          HD2       ARG 120 -22.292 -14.318   9.883
  842   2HD   ARG 120          HD1       ARG 120 -22.952 -12.684   9.930
  843    HE   ARG 120           HE       ARG 120 -22.357 -13.149   7.292
  844   1HH1  ARG 120          HH11      ARG 120 -24.353 -14.657   9.714
  845   2HH1  ARG 120          HH12      ARG 120 -25.518 -15.244   8.574
  846   1HH2  ARG 120          HH21      ARG 120 -23.885 -13.917   5.782
  847   2HH2  ARG 120          HH22      ARG 120 -25.251 -14.824   6.338
  848   1H    GLU 217          HT1       GLU 217 -11.178  11.905 -19.002
  849   2H    GLU 217          HT2       GLU 217 -11.736  10.725 -17.928
  850   3H    GLU 217          HT3       GLU 217 -12.216  10.686 -19.548
  851    HA   GLU 217           HA       GLU 217 -10.595   9.217 -19.838
  852   1HB   GLU 217          HB2       GLU 217  -9.403  11.918 -19.813
  853   2HB   GLU 217          HB1       GLU 217  -8.248  10.595 -19.724
  854   1HG   GLU 217          HG2       GLU 217  -8.522  11.176 -22.009
  855   2HG   GLU 217          HG1       GLU 217  -9.309   9.620 -21.752
  856    HA   PRO 218           HA       PRO 218  -7.699   9.191 -16.026
  857   1HB   PRO 218          HB2       PRO 218  -7.672  11.291 -14.333
  858   2HB   PRO 218          HB1       PRO 218  -6.695  11.255 -15.806
  859   1HG   PRO 218          HG2       PRO 218  -9.315  12.612 -15.302
  860   2HG   PRO 218          HG1       PRO 218  -7.886  13.221 -16.157
  861   1HD   PRO 218          HD2       PRO 218 -10.077  12.217 -17.430
  862   2HD   PRO 218          HD1       PRO 218  -8.437  12.135 -18.105
  863    H    GLY 219           HN       GLY 219 -10.008   8.002 -15.948
  864   1HA   GLY 219          HA2       GLY 219 -11.035   8.486 -13.222
  865   2HA   GLY 219          HA1       GLY 219 -12.112   8.102 -14.556
  866    HA   PRO 220           HA       PRO 220  -9.681   4.014 -13.887
  867   1HB   PRO 220          HB2       PRO 220  -7.782   3.925 -11.956
  868   2HB   PRO 220          HB1       PRO 220  -7.433   4.422 -13.617
  869   1HG   PRO 220          HG2       PRO 220  -7.906   6.115 -11.193
  870   2HG   PRO 220          HG1       PRO 220  -6.680   6.296 -12.461
  871   1HD   PRO 220          HD2       PRO 220  -8.956   7.768 -12.407
  872   2HD   PRO 220          HD1       PRO 220  -8.156   7.297 -13.920
  873    H    TYR 221           HN       TYR 221 -10.221   5.969 -11.002
  874    HA   TYR 221           HA       TYR 221 -11.947   3.876  -9.938
  875   1HB   TYR 221          HB2       TYR 221  -9.508   4.952  -8.540
  876   2HB   TYR 221          HB1       TYR 221 -10.868   4.298  -7.632
  877    HD1  TYR 221           HD1      TYR 221  -7.989   3.520  -9.700
  878    HD2  TYR 221           HD2      TYR 221 -11.467   1.905  -7.858
  879    HE1  TYR 221           HE1      TYR 221  -7.087   1.252  -9.998
  880    HE2  TYR 221           HE2      TYR 221 -10.574  -0.367  -8.150
  881    H    ALA 222           HN       ALA 222 -12.739   4.843  -7.615
  882    HA   ALA 222           HA       ALA 222 -14.254   7.160  -8.336
  883   1HB   ALA 222          HB1       ALA 222 -14.244   5.201  -6.165
  884   2HB   ALA 222          HB2       ALA 222 -15.595   6.015  -6.955
  885   3HB   ALA 222          HB3       ALA 222 -14.709   6.827  -5.664
  886    H    GLN 223           HN       GLN 223 -12.053   6.564  -5.587
  887    HA   GLN 223           HA       GLN 223 -10.563   7.920  -4.522
  888   1HB   GLN 223          HB2       GLN 223 -10.322   8.672  -7.131
  889   2HB   GLN 223          HB1       GLN 223 -10.788  10.193  -6.383
  890   1HG   GLN 223          HG2       GLN 223  -8.869  10.330  -5.138
  891   2HG   GLN 223          HG1       GLN 223  -8.611   8.586  -5.144
  892   1HE2  GLN 223          HE21      GLN 223  -6.939   7.976  -6.294
  893   2HE2  GLN 223          HE22      GLN 223  -6.331   8.752  -7.713
  894    HA   PRO 224           HA       PRO 224 -14.012  10.220  -2.601
  895   1HB   PRO 224          HB2       PRO 224 -13.114   9.896  -0.057
  896   2HB   PRO 224          HB1       PRO 224 -14.057   8.667  -0.909
  897   1HG   PRO 224          HG2       PRO 224 -11.096   8.836  -0.500
  898   2HG   PRO 224          HG1       PRO 224 -12.165   7.427  -0.367
  899   1HD   PRO 224          HD2       PRO 224 -10.640   7.890  -2.553
  900   2HD   PRO 224          HD1       PRO 224 -12.228   7.102  -2.651
  901    H    SER 225           HN       SER 225 -13.608  12.310  -3.161
  902    HA   SER 225           HA       SER 225 -11.624  13.741  -1.534
  903   1HB   SER 225          HB2       SER 225 -11.702  13.496  -4.449
  904   2HB   SER 225          HB1       SER 225 -11.664  15.171  -3.899
  905    HG   SER 225           HG       SER 225  -9.862  14.393  -2.500
  906    H    VAL 226           HN       VAL 226 -14.437  14.048  -3.681
  907    HA   VAL 226           HA       VAL 226 -16.193  15.500  -3.702
  908    HB   VAL 226           HB       VAL 226 -15.689  15.665  -0.728
  909   1HG1  VAL 226          HG11      VAL 226 -17.934  16.478  -2.509
  910   2HG1  VAL 226          HG12      VAL 226 -17.261  17.292  -1.096
  911   3HG1  VAL 226          HG13      VAL 226 -18.303  15.885  -0.890
  912   1HG2  VAL 226          HG21      VAL 226 -16.004  13.431  -0.869
  913   2HG2  VAL 226          HG22      VAL 226 -16.799  13.532  -2.440
  914   3HG2  VAL 226          HG23      VAL 226 -17.701  13.900  -0.969
  915    H    ASN 227           HN       ASN 227 -14.614  16.960  -4.837
  916    HA   ASN 227           HA       ASN 227 -14.498  19.511  -3.398
  917   1HB   ASN 227          HB2       ASN 227 -12.221  17.934  -4.197
  918   2HB   ASN 227          HB1       ASN 227 -12.226  19.467  -5.063
  919   1HD2  ASN 227          HD21      ASN 227 -13.406  18.738  -1.818
  920   2HD2  ASN 227          HD22      ASN 227 -12.326  19.805  -0.993
  921    H    THR 228           HN       THR 228 -13.321  18.432  -6.575
  922    HA   THR 228           HA       THR 228 -13.724  19.210  -8.678
  923    HB   THR 228           HB       THR 228 -15.972  19.286  -9.398
  924    HG1  THR 228           HG1      THR 228 -17.584  20.043  -8.188
  925   1HG2  THR 228          HG21      THR 228 -15.546  17.432  -7.082
  926   2HG2  THR 228          HG22      THR 228 -15.584  17.069  -8.807
  927   3HG2  THR 228          HG23      THR 228 -17.080  17.443  -7.952
  928    H    LYS 229           HN       LYS 229 -15.261  21.138  -9.784
  929    HA   LYS 229           HA       LYS 229 -14.153  23.566  -8.575
  930   1HB   LYS 229          HB2       LYS 229 -13.860  22.782 -11.077
  931   2HB   LYS 229          HB1       LYS 229 -15.438  23.533 -11.274
  932   1HG   LYS 229          HG2       LYS 229 -13.617  25.246  -9.821
  933   2HG   LYS 229          HG1       LYS 229 -12.973  24.785 -11.398
  934   1HD   LYS 229          HD2       LYS 229 -15.547  25.365 -12.033
  935   2HD   LYS 229          HD1       LYS 229 -15.260  26.501 -10.714
  936   1HE   LYS 229          HE2       LYS 229 -12.977  26.767 -12.171
  937   2HE   LYS 229          HE1       LYS 229 -14.162  26.444 -13.435
  938   1HZ   LYS 229          HZ1       LYS 229 -15.280  28.368 -13.010
  939   2HZ   LYS 229          HZ2       LYS 229 -13.720  28.863 -12.587
  940   3HZ   LYS 229          HZ3       LYS 229 -14.823  28.427 -11.382
  941   1H    ASP  62          HT1       ASP  62  24.335   2.843 -13.496
  942   2H    ASP  62          HT2       ASP  62  22.896   2.098 -13.982
  943   3H    ASP  62          HT3       ASP  62  24.374   1.572 -14.613
  944    HA   ASP  62           HA       ASP  62  25.064   0.666 -12.567
  945   1HB   ASP  62          HB2       ASP  62  22.604   2.050 -11.476
  946   2HB   ASP  62          HB1       ASP  62  23.586   0.917 -10.552
  947    HA   PRO  63           HA       PRO  63  22.133  -2.284 -14.671
  948   1HB   PRO  63          HB2       PRO  63  24.502  -3.974 -14.019
  949   2HB   PRO  63          HB1       PRO  63  23.539  -3.909 -15.500
  950   1HG   PRO  63          HG2       PRO  63  25.948  -2.784 -15.401
  951   2HG   PRO  63          HG1       PRO  63  24.615  -2.006 -16.274
  952   1HD   PRO  63          HD2       PRO  63  25.802  -1.322 -13.623
  953   2HD   PRO  63          HD1       PRO  63  25.142  -0.252 -14.876
  954    H    ASN  64           HN       ASN  64  24.164  -2.745 -11.795
  955    HA   ASN  64           HA       ASN  64  22.022  -3.391 -10.104
  956   1HB   ASN  64          HB2       ASN  64  22.786  -5.849  -9.736
  957   2HB   ASN  64          HB1       ASN  64  21.716  -5.483 -11.086
  958   1HD2  ASN  64          HD21      ASN  64  24.723  -6.730 -10.125
  959   2HD2  ASN  64          HD22      ASN  64  25.364  -7.043 -11.698
  960    H    LEU  65           HN       LEU  65  24.269  -1.734  -9.996
  961    HA   LEU  65           HA       LEU  65  25.797  -2.963  -7.795
  962   1HB   LEU  65          HB2       LEU  65  26.838  -2.094 -10.169
  963   2HB   LEU  65          HB1       LEU  65  27.034  -0.675  -9.158
  964    HG   LEU  65           HG       LEU  65  28.319  -1.976  -7.538
  965   1HD1  LEU  65          HD11      LEU  65  28.930  -4.316  -8.959
  966   2HD1  LEU  65          HD12      LEU  65  27.171  -4.185  -8.954
  967   3HD1  LEU  65          HD13      LEU  65  28.060  -4.174  -7.431
  968   1HD2  LEU  65          HD21      LEU  65  29.715  -0.947  -9.079
  969   2HD2  LEU  65          HD22      LEU  65  29.173  -1.973 -10.407
  970   3HD2  LEU  65          HD23      LEU  65  30.224  -2.634  -9.154
  971    H    PHE  66           HN       PHE  66  25.003  -2.161  -5.959
  972    HA   PHE  66           HA       PHE  66  24.749   0.757  -5.732
  973   1HB   PHE  66          HB2       PHE  66  22.748  -1.314  -4.831
  974   2HB   PHE  66          HB1       PHE  66  22.761   0.331  -4.205
  975    HD1  PHE  66           HD1      PHE  66  22.667  -1.534  -7.426
  976    HD2  PHE  66           HD2      PHE  66  21.521   1.953  -5.273
  977    HE1  PHE  66           HE1      PHE  66  21.315  -0.798  -9.345
  978    HE2  PHE  66           HE2      PHE  66  20.166   2.695  -7.188
  979    HZ   PHE  66           HZ       PHE  66  20.061   1.318  -9.227
  980    H    VAL  67           HN       VAL  67  24.394   1.287  -3.261
  981    HA   VAL  67           HA       VAL  67  25.831  -0.489  -1.483
  982    HB   VAL  67           HB       VAL  67  27.652   0.733  -2.618
  983   1HG1  VAL  67          HG11      VAL  67  27.889   3.186  -1.999
  984   2HG1  VAL  67          HG12      VAL  67  26.180   3.132  -1.566
  985   3HG1  VAL  67          HG13      VAL  67  26.682   2.790  -3.222
  986   1HG2  VAL  67          HG21      VAL  67  27.132   1.075   0.299
  987   2HG2  VAL  67          HG22      VAL  67  28.565   1.814  -0.415
  988   3HG2  VAL  67          HG23      VAL  67  28.326   0.070  -0.522
  989    H    ALA  68           HN       ALA  68  25.422  -0.096   0.668
  990    HA   ALA  68           HA       ALA  68  23.225   1.708   1.223
  991   1HB   ALA  68          HB1       ALA  68  23.232  -0.603   2.096
  992   2HB   ALA  68          HB2       ALA  68  23.096   0.609   3.370
  993   3HB   ALA  68          HB3       ALA  68  24.636  -0.200   3.083
  994    H    LEU  69           HN       LEU  69  23.310   3.536   2.426
  995    HA   LEU  69           HA       LEU  69  25.933   4.649   2.950
  996   1HB   LEU  69          HB2       LEU  69  23.182   5.836   3.320
  997   2HB   LEU  69          HB1       LEU  69  24.693   6.708   3.496
  998    HG   LEU  69           HG       LEU  69  25.161   6.122   1.066
  999   1HD1  LEU  69          HD11      LEU  69  23.750   4.460   0.404
 1000   2HD1  LEU  69          HD12      LEU  69  22.817   5.860  -0.125
 1001   3HD1  LEU  69          HD13      LEU  69  22.411   5.051   1.388
 1002   1HD2  LEU  69          HD21      LEU  69  24.258   8.105   0.402
 1003   2HD2  LEU  69          HD22      LEU  69  24.086   8.290   2.148
 1004   3HD2  LEU  69          HD23      LEU  69  22.705   7.785   1.174
 1005    H    TYR  70           HN       TYR  70  23.243   3.339   4.737
 1006    HA   TYR  70           HA       TYR  70  24.770   3.742   7.220
 1007   1HB   TYR  70          HB2       TYR  70  21.793   3.637   7.366
 1008   2HB   TYR  70          HB1       TYR  70  22.938   4.466   8.413
 1009    HD1  TYR  70           HD1      TYR  70  23.631   6.720   7.954
 1010    HD2  TYR  70           HD2      TYR  70  21.093   4.657   5.233
 1011    HE1  TYR  70           HE1      TYR  70  23.155   8.839   6.800
 1012    HE2  TYR  70           HE2      TYR  70  20.611   6.770   4.072
 1013    HH   TYR  70           HH       TYR  70  21.773   9.017   3.780
 1014    H    ASP  71           HN       ASP  71  23.801   2.248   9.006
 1015    HA   ASP  71           HA       ASP  71  23.852  -0.443   7.903
 1016   1HB   ASP  71          HB2       ASP  71  24.057  -1.134  10.294
 1017   2HB   ASP  71          HB1       ASP  71  25.323  -0.026   9.771
 1018    H    PHE  72           HN       PHE  72  21.972  -1.271   7.272
 1019    HA   PHE  72           HA       PHE  72  19.521  -0.565   8.702
 1020   1HB   PHE  72          HB2       PHE  72  19.619  -0.431   6.200
 1021   2HB   PHE  72          HB1       PHE  72  19.819  -2.180   6.162
 1022    HD1  PHE  72           HD1      PHE  72  17.982  -3.614   7.160
 1023    HD2  PHE  72           HD2      PHE  72  17.498   0.530   6.318
 1024    HE1  PHE  72           HE1      PHE  72  15.537  -3.895   7.196
 1025    HE2  PHE  72           HE2      PHE  72  15.053   0.256   6.353
 1026    HZ   PHE  72           HZ       PHE  72  14.070  -1.959   6.793
 1027    H    VAL  73           HN       VAL  73  18.233  -2.040   9.743
 1028    HA   VAL  73           HA       VAL  73  19.360  -4.747  10.059
 1029    HB   VAL  73           HB       VAL  73  17.812  -3.167  12.119
 1030   1HG1  VAL  73          HG11      VAL  73  19.041  -5.912  12.152
 1031   2HG1  VAL  73          HG12      VAL  73  17.363  -5.463  12.457
 1032   3HG1  VAL  73          HG13      VAL  73  18.617  -5.035  13.622
 1033   1HG2  VAL  73          HG21      VAL  73  20.736  -3.906  12.118
 1034   2HG2  VAL  73          HG22      VAL  73  19.881  -2.939  13.320
 1035   3HG2  VAL  73          HG23      VAL  73  20.108  -2.316  11.686
 1036    H    ALA  74           HN       ALA  74  18.043  -6.452   9.747
 1037    HA   ALA  74           HA       ALA  74  15.189  -5.891   9.262
 1038   1HB   ALA  74          HB1       ALA  74  16.531  -6.476   7.228
 1039   2HB   ALA  74          HB2       ALA  74  15.159  -7.539   7.542
 1040   3HB   ALA  74          HB3       ALA  74  16.794  -8.069   7.938
 1041    H    SER  75           HN       SER  75  13.673  -7.413   9.962
 1042    HA   SER  75           HA       SER  75  14.636  -9.142  12.120
 1043   1HB   SER  75          HB2       SER  75  12.580  -7.357  12.096
 1044   2HB   SER  75          HB1       SER  75  11.725  -8.854  11.721
 1045    HG   SER  75           HG       SER  75  11.957  -8.364  14.007
 1046    H    GLY  76           HN       GLY  76  14.823  -9.819   9.238
 1047   1HA   GLY  76          HA2       GLY  76  14.841 -11.984   8.309
 1048   2HA   GLY  76          HA1       GLY  76  13.595 -12.461   9.452
 1049    H    ASP  77           HN       ASP  77  12.047  -9.977   8.751
 1050    HA   ASP  77           HA       ASP  77  10.292 -11.097   6.900
 1051   1HB   ASP  77          HB2       ASP  77  10.418  -8.743   8.450
 1052   2HB   ASP  77          HB1       ASP  77  10.158  -8.223   6.788
 1053    H    ASN  78           HN       ASN  78   9.770  -9.030   5.057
 1054    HA   ASN  78           HA       ASN  78  11.222  -9.802   2.850
 1055   1HB   ASN  78          HB2       ASN  78   9.277  -7.772   3.469
 1056   2HB   ASN  78          HB1       ASN  78  10.496  -7.107   2.385
 1057   1HD2  ASN  78          HD21      ASN  78   9.412 -10.449   2.554
 1058   2HD2  ASN  78          HD22      ASN  78   8.717 -10.496   0.974
 1059    H    THR  79           HN       THR  79  12.075  -7.512   5.309
 1060    HA   THR  79           HA       THR  79  14.148  -6.202   3.831
 1061    HB   THR  79           HB       THR  79  14.845  -5.703   6.389
 1062    HG1  THR  79           HG1      THR  79  12.959  -5.653   7.648
 1063   1HG2  THR  79          HG21      THR  79  12.856  -4.461   4.549
 1064   2HG2  THR  79          HG22      THR  79  14.408  -3.844   5.113
 1065   3HG2  THR  79          HG23      THR  79  13.009  -3.825   6.187
 1066    H    LEU  80           HN       LEU  80  16.427  -6.220   4.538
 1067    HA   LEU  80           HA       LEU  80  17.318  -8.815   5.581
 1068   1HB   LEU  80          HB2       LEU  80  17.488  -9.032   3.195
 1069   2HB   LEU  80          HB1       LEU  80  18.270  -7.468   3.058
 1070    HG   LEU  80           HG       LEU  80  20.003  -8.775   4.706
 1071   1HD1  LEU  80          HD11      LEU  80  18.736 -10.798   2.879
 1072   2HD1  LEU  80          HD12      LEU  80  18.992 -10.902   4.621
 1073   3HD1  LEU  80          HD13      LEU  80  20.368 -10.983   3.521
 1074   1HD2  LEU  80          HD21      LEU  80  20.146  -8.955   1.707
 1075   2HD2  LEU  80          HD22      LEU  80  21.473  -8.809   2.859
 1076   3HD2  LEU  80          HD23      LEU  80  20.388  -7.446   2.587
 1077    H    SER  81           HN       SER  81  18.598  -8.486   7.272
 1078    HA   SER  81           HA       SER  81  19.514  -6.015   8.142
 1079   1HB   SER  81          HB2       SER  81  20.740  -7.184   9.809
 1080   2HB   SER  81          HB1       SER  81  19.328  -8.185   9.471
 1081    HG   SER  81           HG       SER  81  22.016  -8.595   8.764
 1082    H    ILE  82           HN       ILE  82  20.927  -4.697   7.215
 1083    HA   ILE  82           HA       ILE  82  23.395  -5.834   6.097
 1084    HB   ILE  82           HB       ILE  82  23.338  -4.215   4.252
 1085   1HG1  ILE  82          HG12      ILE  82  20.446  -3.669   4.719
 1086   2HG1  ILE  82          HG11      ILE  82  21.613  -2.769   5.682
 1087   1HG2  ILE  82          HG21      ILE  82  22.032  -5.506   2.873
 1088   2HG2  ILE  82          HG22      ILE  82  20.743  -5.669   4.066
 1089   3HG2  ILE  82          HG23      ILE  82  22.237  -6.588   4.251
 1090   1HD1  ILE  82          HD11      ILE  82  21.001  -2.611   2.801
 1091   2HD1  ILE  82          HD12      ILE  82  22.688  -2.404   3.271
 1092   3HD1  ILE  82          HD13      ILE  82  21.450  -1.344   3.943
 1093    H    THR  83           HN       THR  83  25.221  -4.470   6.175
 1094    HA   THR  83           HA       THR  83  25.099  -2.509   8.319
 1095    HB   THR  83           HB       THR  83  27.695  -2.886   7.008
 1096    HG1  THR  83           HG1      THR  83  27.780  -5.065   8.124
 1097   1HG2  THR  83          HG21      THR  83  28.005  -1.960   9.054
 1098   2HG2  THR  83          HG22      THR  83  28.015  -3.645   9.573
 1099   3HG2  THR  83          HG23      THR  83  26.543  -2.686   9.722
 1100    H    LYS  84           HN       LYS  84  26.847  -0.640   7.899
 1101    HA   LYS  84           HA       LYS  84  25.771   0.852   5.641
 1102   1HB   LYS  84          HB2       LYS  84  26.654   2.807   6.692
 1103   2HB   LYS  84          HB1       LYS  84  25.904   1.834   7.949
 1104   1HG   LYS  84          HG2       LYS  84  28.078   1.026   8.657
 1105   2HG   LYS  84          HG1       LYS  84  28.855   1.932   7.358
 1106   1HD   LYS  84          HD2       LYS  84  29.123   3.474   8.993
 1107   2HD   LYS  84          HD1       LYS  84  27.479   3.917   8.530
 1108   1HE   LYS  84          HE2       LYS  84  27.746   3.701  10.969
 1109   2HE   LYS  84          HE1       LYS  84  26.572   2.560  10.315
 1110   1HZ   LYS  84          HZ1       LYS  84  29.368   1.715  10.639
 1111   2HZ   LYS  84          HZ2       LYS  84  27.954   0.787  10.685
 1112   3HZ   LYS  84          HZ3       LYS  84  28.363   1.770  11.999
 1113    H    GLY  85           HN       GLY  85  27.068   1.889   4.081
 1114   1HA   GLY  85          HA2       GLY  85  28.877   2.168   2.686
 1115   2HA   GLY  85          HA1       GLY  85  29.898   1.562   3.980
 1116    H    GLU  86           HN       GLU  86  27.364  -0.566   3.217
 1117    HA   GLU  86           HA       GLU  86  29.260  -2.382   1.959
 1118   1HB   GLU  86          HB2       GLU  86  27.718  -3.057   3.862
 1119   2HB   GLU  86          HB1       GLU  86  26.395  -2.959   2.708
 1120   1HG   GLU  86          HG2       GLU  86  26.839  -5.154   2.485
 1121   2HG   GLU  86          HG1       GLU  86  28.029  -4.554   1.330
 1122    H    LYS  87           HN       LYS  87  28.984  -3.308  -0.062
 1123    HA   LYS  87           HA       LYS  87  27.303  -1.768  -1.886
 1124   1HB   LYS  87          HB2       LYS  87  28.608  -3.145  -3.627
 1125   2HB   LYS  87          HB1       LYS  87  29.481  -1.916  -2.723
 1126   1HG   LYS  87          HG2       LYS  87  30.743  -3.432  -1.607
 1127   2HG   LYS  87          HG1       LYS  87  29.472  -4.657  -1.607
 1128   1HD   LYS  87          HD2       LYS  87  30.034  -4.433  -4.267
 1129   2HD   LYS  87          HD1       LYS  87  31.620  -4.164  -3.540
 1130   1HE   LYS  87          HE2       LYS  87  29.824  -6.498  -2.894
 1131   2HE   LYS  87          HE1       LYS  87  31.131  -6.549  -4.076
 1132   1HZ   LYS  87          HZ1       LYS  87  32.719  -6.119  -2.363
 1133   2HZ   LYS  87          HZ2       LYS  87  31.751  -7.411  -1.860
 1134   3HZ   LYS  87          HZ3       LYS  87  31.505  -5.869  -1.211
 1135    H    LEU  88           HN       LEU  88  25.447  -2.520  -2.668
 1136    HA   LEU  88           HA       LEU  88  24.978  -5.426  -2.633
 1137   1HB   LEU  88          HB2       LEU  88  22.666  -3.607  -2.236
 1138   2HB   LEU  88          HB1       LEU  88  22.929  -5.233  -1.635
 1139    HG   LEU  88           HG       LEU  88  24.507  -2.927  -0.540
 1140   1HD1  LEU  88          HD11      LEU  88  22.835  -2.689   1.225
 1141   2HD1  LEU  88          HD12      LEU  88  21.789  -3.840   0.392
 1142   3HD1  LEU  88          HD13      LEU  88  22.164  -2.287  -0.356
 1143   1HD2  LEU  88          HD21      LEU  88  23.777  -5.690   0.380
 1144   2HD2  LEU  88          HD22      LEU  88  24.377  -4.461   1.493
 1145   3HD2  LEU  88          HD23      LEU  88  25.380  -4.993   0.143
 1146    H    ARG  89           HN       ARG  89  23.476  -6.210  -4.210
 1147    HA   ARG  89           HA       ARG  89  23.475  -4.569  -6.632
 1148   1HB   ARG  89          HB2       ARG  89  22.831  -7.505  -6.299
 1149   2HB   ARG  89          HB1       ARG  89  22.993  -6.647  -7.825
 1150   1HG   ARG  89          HG2       ARG  89  25.263  -6.599  -7.721
 1151   2HG   ARG  89          HG1       ARG  89  25.292  -6.566  -5.956
 1152   1HD   ARG  89          HD2       ARG  89  24.177  -9.012  -6.486
 1153   2HD   ARG  89          HD1       ARG  89  25.341  -8.835  -7.798
 1154    HE   ARG  89           HE       ARG  89  25.925  -9.361  -5.074
 1155   1HH1  ARG  89          HH11      ARG  89  27.094  -7.634  -7.863
 1156   2HH1  ARG  89          HH12      ARG  89  28.751  -7.682  -7.359
 1157   1HH2  ARG  89          HH21      ARG  89  28.103  -9.429  -4.400
 1158   2HH2  ARG  89          HH22      ARG  89  29.325  -8.703  -5.391
 1159    H    VAL  90           HN       VAL  90  21.744  -3.246  -6.616
 1160    HA   VAL  90           HA       VAL  90  19.167  -4.159  -5.666
 1161    HB   VAL  90           HB       VAL  90  19.904  -1.534  -6.967
 1162   1HG1  VAL  90          HG11      VAL  90  17.495  -2.166  -7.062
 1163   2HG1  VAL  90          HG12      VAL  90  17.819  -0.701  -6.135
 1164   3HG1  VAL  90          HG13      VAL  90  17.490  -2.219  -5.299
 1165   1HG2  VAL  90          HG21      VAL  90  19.426  -1.935  -4.039
 1166   2HG2  VAL  90          HG22      VAL  90  20.273  -0.626  -4.862
 1167   3HG2  VAL  90          HG23      VAL  90  21.021  -2.218  -4.737
 1168    H    LEU  91           HN       LEU  91  18.062  -5.488  -6.956
 1169    HA   LEU  91           HA       LEU  91  17.865  -4.794  -9.813
 1170   1HB   LEU  91          HB2       LEU  91  17.227  -7.309  -9.998
 1171   2HB   LEU  91          HB1       LEU  91  18.913  -6.840  -9.890
 1172    HG   LEU  91           HG       LEU  91  18.907  -7.383  -7.487
 1173   1HD1  LEU  91          HD11      LEU  91  16.030  -7.696  -8.015
 1174   2HD1  LEU  91          HD12      LEU  91  16.873  -7.240  -6.535
 1175   3HD1  LEU  91          HD13      LEU  91  16.758  -8.938  -6.997
 1176   1HD2  LEU  91          HD21      LEU  91  18.666  -9.213  -9.675
 1177   2HD2  LEU  91          HD22      LEU  91  17.982  -9.935  -8.219
 1178   3HD2  LEU  91          HD23      LEU  91  19.644  -9.345  -8.214
 1179    H    GLY  92           HN       GLY  92  16.201  -4.098  -7.328
 1180   1HA   GLY  92          HA2       GLY  92  13.640  -4.497  -8.634
 1181   2HA   GLY  92          HA1       GLY  92  13.804  -5.265  -7.063
 1182    H    TYR  93           HN       TYR  93  12.154  -2.957  -8.146
 1183    HA   TYR  93           HA       TYR  93  12.795  -1.092  -5.964
 1184   1HB   TYR  93          HB2       TYR  93  12.175  -0.449  -8.837
 1185   2HB   TYR  93          HB1       TYR  93  11.870   0.719  -7.557
 1186    HD1  TYR  93           HD1      TYR  93  13.682   1.856  -6.455
 1187    HD2  TYR  93           HD2      TYR  93  14.471  -1.123  -9.387
 1188    HE1  TYR  93           HE1      TYR  93  16.028   2.586  -6.556
 1189    HE2  TYR  93           HE2      TYR  93  16.820  -0.403  -9.497
 1190    HH   TYR  93           HH       TYR  93  18.397   1.045  -7.453
 1191    H    ASN  94           HN       ASN  94  10.848   0.453  -5.625
 1192    HA   ASN  94           HA       ASN  94   8.467  -1.242  -5.432
 1193   1HB   ASN  94          HB2       ASN  94   9.410  -0.166  -3.371
 1194   2HB   ASN  94          HB1       ASN  94   9.000   1.401  -4.062
 1195   1HD2  ASN  94          HD21      ASN  94   7.904  -1.252  -2.284
 1196   2HD2  ASN  94          HD22      ASN  94   6.240  -0.801  -2.171
 1197    H    HIS  95           HN       HIS  95   6.336  -0.129  -5.674
 1198    HA   HIS  95           HA       HIS  95   6.155   1.053  -8.242
 1199   1HB   HIS  95          HB2       HIS  95   4.376  -0.358  -7.253
 1200   2HB   HIS  95          HB1       HIS  95   4.048   0.908  -6.074
 1201    HD1  HIS  95           HD1      HIS  95   4.232   0.726  -9.881
 1202    HD2  HIS  95           HD2      HIS  95   1.949   2.410  -6.844
 1203    HE1  HIS  95           HE1      HIS  95   2.381   1.971 -11.042
 1204    HE2  HIS  95           HE2      HIS  95   1.062   3.051  -9.187
 1205    H    ASN  96           HN       ASN  96   6.459   2.345  -5.047
 1206    HA   ASN  96           HA       ASN  96   5.810   5.041  -6.010
 1207   1HB   ASN  96          HB2       ASN  96   5.803   3.737  -3.330
 1208   2HB   ASN  96          HB1       ASN  96   6.148   5.463  -3.404
 1209   1HD2  ASN  96          HD21      ASN  96   4.505   6.836  -3.572
 1210   2HD2  ASN  96          HD22      ASN  96   2.861   6.395  -3.864
 1211    H    GLY  97           HN       GLY  97   8.464   3.028  -5.271
 1212   1HA   GLY  97          HA2       GLY  97  10.711   3.521  -5.616
 1213   2HA   GLY  97          HA1       GLY  97  10.291   5.222  -5.754
 1214    H    GLU  98           HN       GLU  98   9.212   3.337  -3.038
 1215    HA   GLU  98           HA       GLU  98  10.845   5.004  -1.280
 1216   1HB   GLU  98          HB2       GLU  98   8.869   3.043  -0.210
 1217   2HB   GLU  98          HB1       GLU  98   9.289   4.644   0.380
 1218   1HG   GLU  98          HG2       GLU  98   8.042   5.656  -1.453
 1219   2HG   GLU  98          HG1       GLU  98   7.636   4.054  -2.066
 1220    H    TRP  99           HN       TRP  99  10.205   1.615  -2.021
 1221    HA   TRP  99           HA       TRP  99  12.370   0.801  -0.221
 1222   1HB   TRP  99          HB2       TRP  99   9.973  -0.527  -1.349
 1223   2HB   TRP  99          HB1       TRP  99  11.401  -1.535  -1.150
 1224    HD1  TRP  99           HD1      TRP  99   8.452  -0.459   0.681
 1225    HE1  TRP  99           HE1      TRP  99   8.700  -0.892   3.208
 1226    HE3  TRP  99           HE3      TRP  99  13.454  -1.376   0.836
 1227    HZ2  TRP  99           HZ2      TRP  99  10.769  -1.555   5.028
 1228    HZ3  TRP  99           HZ3      TRP  99  14.499  -1.907   3.001
 1229    HH2  TRP  99           HH2      TRP  99  13.176  -1.996   5.048
 1230    H    CYS 100           HN       CYS 100  13.889  -0.839  -0.985
 1231    HA   CYS 100           HA       CYS 100  14.327  -0.905  -3.872
 1232   1HB   CYS 100          HB2       CYS 100  16.162   0.310  -1.846
 1233   2HB   CYS 100          HB1       CYS 100  16.861  -0.536  -3.223
 1234    HG   CYS 100           HG       CYS 100  14.701   1.325  -4.615
 1235    H    GLU 101           HN       GLU 101  14.481  -2.988  -4.377
 1236    HA   GLU 101           HA       GLU 101  15.168  -4.957  -2.394
 1237   1HB   GLU 101          HB2       GLU 101  13.417  -5.279  -4.174
 1238   2HB   GLU 101          HB1       GLU 101  14.720  -5.382  -5.350
 1239   1HG   GLU 101          HG2       GLU 101  15.638  -7.293  -3.995
 1240   2HG   GLU 101          HG1       GLU 101  14.131  -7.259  -3.081
 1241    H    ALA 102           HN       ALA 102  17.231  -5.203  -1.844
 1242    HA   ALA 102           HA       ALA 102  19.306  -4.974  -3.903
 1243   1HB   ALA 102          HB1       ALA 102  20.782  -5.128  -1.735
 1244   2HB   ALA 102          HB2       ALA 102  19.279  -4.652  -0.943
 1245   3HB   ALA 102          HB3       ALA 102  19.987  -3.619  -2.186
 1246    H    GLN 103           HN       GLN 103  20.993  -6.547  -4.033
 1247    HA   GLN 103           HA       GLN 103  20.465  -9.135  -2.781
 1248   1HB   GLN 103          HB2       GLN 103  19.322  -9.148  -4.982
 1249   2HB   GLN 103          HB1       GLN 103  20.860  -8.801  -5.760
 1250   1HG   GLN 103          HG2       GLN 103  20.794 -11.155  -3.985
 1251   2HG   GLN 103          HG1       GLN 103  19.866 -11.267  -5.480
 1252   1HE2  GLN 103          HE21      GLN 103  21.270 -10.093  -7.340
 1253   2HE2  GLN 103          HE22      GLN 103  22.845 -10.782  -7.513
 1254    H    THR 104           HN       THR 104  22.274 -10.278  -2.302
 1255    HA   THR 104           HA       THR 104  24.827  -9.450  -3.467
 1256    HB   THR 104           HB       THR 104  25.920  -9.044  -1.448
 1257    HG1  THR 104           HG1      THR 104  23.676 -10.109  -0.045
 1258   1HG2  THR 104          HG21      THR 104  24.499  -7.172  -1.910
 1259   2HG2  THR 104          HG22      THR 104  24.459  -7.456  -0.170
 1260   3HG2  THR 104          HG23      THR 104  23.110  -7.977  -1.179
 1261    H    LYS 105           HN       LYS 105  26.538 -10.951  -1.974
 1262    HA   LYS 105           HA       LYS 105  26.254 -13.513  -3.060
 1263   1HB   LYS 105          HB2       LYS 105  28.144 -14.137  -1.586
 1264   2HB   LYS 105          HB1       LYS 105  28.430 -12.638  -2.460
 1265   1HG   LYS 105          HG2       LYS 105  27.877 -11.352  -0.472
 1266   2HG   LYS 105          HG1       LYS 105  27.537 -12.843   0.409
 1267   1HD   LYS 105          HD2       LYS 105  29.805 -13.514   0.335
 1268   2HD   LYS 105          HD1       LYS 105  30.206 -12.282  -0.863
 1269   1HE   LYS 105          HE2       LYS 105  30.205 -10.582   0.688
 1270   2HE   LYS 105          HE1       LYS 105  29.114 -11.434   1.779
 1271   1HZ   LYS 105          HZ1       LYS 105  31.780 -12.559   1.305
 1272   2HZ   LYS 105          HZ2       LYS 105  30.811 -12.632   2.690
 1273   3HZ   LYS 105          HZ3       LYS 105  31.646 -11.209   2.317
 1274    H    ASN 106           HN       ASN 106  25.077 -12.150  -0.107
 1275    HA   ASN 106           HA       ASN 106  24.570 -14.687   1.166
 1276   1HB   ASN 106          HB2       ASN 106  25.053 -12.533   2.400
 1277   2HB   ASN 106          HB1       ASN 106  23.444 -11.991   1.932
 1278   1HD2  ASN 106          HD21      ASN 106  21.797 -12.505   3.196
 1279   2HD2  ASN 106          HD22      ASN 106  21.837 -13.660   4.481
 1280    H    GLY 107           HN       GLY 107  22.846 -12.450  -0.872
 1281   1HA   GLY 107          HA2       GLY 107  21.020 -13.887  -2.052
 1282   2HA   GLY 107          HA1       GLY 107  20.331 -13.899  -0.436
 1283    H    GLN 108           HN       GLN 108  18.463 -12.873  -1.351
 1284    HA   GLN 108           HA       GLN 108  18.817 -10.115  -2.249
 1285   1HB   GLN 108          HB2       GLN 108  16.324 -11.822  -2.126
 1286   2HB   GLN 108          HB1       GLN 108  16.429 -10.213  -2.828
 1287   1HG   GLN 108          HG2       GLN 108  18.215 -11.203  -4.366
 1288   2HG   GLN 108          HG1       GLN 108  17.621 -12.772  -3.824
 1289   1HE2  GLN 108          HE21      GLN 108  16.438  -9.686  -5.107
 1290   2HE2  GLN 108          HE22      GLN 108  15.212 -10.375  -6.111
 1291    H    GLY 109           HN       GLY 109  17.284  -8.463  -1.385
 1292   1HA   GLY 109          HA2       GLY 109  16.088  -8.854   1.179
 1293   2HA   GLY 109          HA1       GLY 109  17.631  -8.026   1.312
 1294    H    TRP 110           HN       TRP 110  15.069  -6.966   2.027
 1295    HA   TRP 110           HA       TRP 110  14.563  -4.972  -0.056
 1296   1HB   TRP 110          HB2       TRP 110  12.995  -6.045   2.238
 1297   2HB   TRP 110          HB1       TRP 110  12.680  -4.383   1.750
 1298    HD1  TRP 110           HD1      TRP 110  11.680  -7.841   0.966
 1299    HE1  TRP 110           HE1      TRP 110  10.353  -7.940  -1.234
 1300    HE3  TRP 110           HE3      TRP 110  12.727  -3.168  -0.826
 1301    HZ2  TRP 110           HZ2      TRP 110   9.821  -6.264  -3.440
 1302    HZ3  TRP 110           HZ3      TRP 110  11.772  -2.497  -2.992
 1303    HH2  TRP 110           HH2      TRP 110  10.350  -4.015  -4.271
 1304    H    VAL 111           HN       VAL 111  15.817  -3.255   0.049
 1305    HA   VAL 111           HA       VAL 111  16.444  -2.108   2.687
 1306    HB   VAL 111           HB       VAL 111  18.402  -1.049   1.622
 1307   1HG1  VAL 111          HG11      VAL 111  19.012  -2.979   2.727
 1308   2HG1  VAL 111          HG12      VAL 111  19.606  -3.298   1.098
 1309   3HG1  VAL 111          HG13      VAL 111  18.091  -4.019   1.641
 1310   1HG2  VAL 111          HG21      VAL 111  19.080  -1.536  -0.594
 1311   2HG2  VAL 111          HG22      VAL 111  17.378  -1.084  -0.689
 1312   3HG2  VAL 111          HG23      VAL 111  17.845  -2.782  -0.774
 1313    HA   PRO 112           HA       PRO 112  13.968   1.451   1.832
 1314   1HB   PRO 112          HB2       PRO 112  16.316   2.941   2.912
 1315   2HB   PRO 112          HB1       PRO 112  14.610   3.060   3.351
 1316   1HG   PRO 112          HG2       PRO 112  16.313   1.771   4.931
 1317   2HG   PRO 112          HG1       PRO 112  14.675   1.145   4.663
 1318   1HD   PRO 112          HD2       PRO 112  17.273   0.192   3.553
 1319   2HD   PRO 112          HD1       PRO 112  15.831  -0.735   4.014
 1320    H    SER 113           HN       SER 113  13.999   3.449   0.570
 1321    HA   SER 113           HA       SER 113  15.664   3.175  -1.772
 1322   1HB   SER 113          HB2       SER 113  13.316   4.879  -1.027
 1323   2HB   SER 113          HB1       SER 113  14.308   5.328  -2.413
 1324    HG   SER 113           HG       SER 113  13.388   2.688  -2.164
 1325    H    ASN 114           HN       ASN 114  15.712   5.037   1.120
 1326    HA   ASN 114           HA       ASN 114  17.546   7.000  -0.047
 1327   1HB   ASN 114          HB2       ASN 114  17.266   8.241   2.046
 1328   2HB   ASN 114          HB1       ASN 114  15.703   7.868   1.324
 1329   1HD2  ASN 114          HD21      ASN 114  14.243   6.802   2.493
 1330   2HD2  ASN 114          HD22      ASN 114  14.528   6.113   4.052
 1331    H    TYR 115           HN       TYR 115  17.383   4.582   2.538
 1332    HA   TYR 115           HA       TYR 115  19.920   5.006   3.626
 1333   1HB   TYR 115          HB2       TYR 115  18.116   2.605   3.531
 1334   2HB   TYR 115          HB1       TYR 115  19.701   2.519   4.289
 1335    HD1  TYR 115           HD1      TYR 115  20.099   3.483   6.427
 1336    HD2  TYR 115           HD2      TYR 115  16.386   4.141   4.460
 1337    HE1  TYR 115           HE1      TYR 115  19.168   4.407   8.506
 1338    HE2  TYR 115           HE2      TYR 115  15.436   5.059   6.533
 1339    HH   TYR 115           HH       TYR 115  17.041   4.798   9.558
 1340    H    ILE 116           HN       ILE 116  19.060   3.690   0.589
 1341    HA   ILE 116           HA       ILE 116  21.777   2.593   0.281
 1342    HB   ILE 116           HB       ILE 116  20.957   1.104  -1.427
 1343   1HG1  ILE 116          HG12      ILE 116  18.182   1.179  -1.284
 1344   2HG1  ILE 116          HG11      ILE 116  18.643   2.878  -1.344
 1345   1HG2  ILE 116          HG21      ILE 116  18.861   0.384   0.384
 1346   2HG2  ILE 116          HG22      ILE 116  20.255   0.974   1.288
 1347   3HG2  ILE 116          HG23      ILE 116  20.442  -0.363   0.154
 1348   1HD1  ILE 116          HD11      ILE 116  19.131   2.752  -3.503
 1349   2HD1  ILE 116          HD12      ILE 116  18.355   1.168  -3.487
 1350   3HD1  ILE 116          HD13      ILE 116  20.101   1.296  -3.276
 1351    H    THR 117           HN       THR 117  22.768   2.844  -1.831
 1352    HA   THR 117           HA       THR 117  21.667   4.686  -3.729
 1353    HB   THR 117           HB       THR 117  22.430   6.269  -1.988
 1354    HG1  THR 117           HG1      THR 117  22.632   7.318  -3.837
 1355   1HG2  THR 117          HG21      THR 117  24.569   6.364  -1.167
 1356   2HG2  THR 117          HG22      THR 117  25.272   5.639  -2.613
 1357   3HG2  THR 117          HG23      THR 117  24.431   4.627  -1.439
 1358    HA   PRO 118           HA       PRO 118  24.228   2.452  -6.535
 1359   1HB   PRO 118          HB2       PRO 118  24.829   5.129  -7.709
 1360   2HB   PRO 118          HB1       PRO 118  24.269   3.653  -8.503
 1361   1HG   PRO 118          HG2       PRO 118  22.587   5.663  -8.044
 1362   2HG   PRO 118          HG1       PRO 118  22.067   3.978  -7.849
 1363   1HD   PRO 118          HD2       PRO 118  22.733   6.010  -5.771
 1364   2HD   PRO 118          HD1       PRO 118  21.523   4.712  -5.737
 1365    H    VAL 119           HN       VAL 119  26.393   1.993  -6.934
 1366    HA   VAL 119           HA       VAL 119  28.251   2.896  -4.991
 1367    HB   VAL 119           HB       VAL 119  29.903   1.536  -6.177
 1368   1HG1  VAL 119          HG11      VAL 119  28.816  -0.616  -5.937
 1369   2HG1  VAL 119          HG12      VAL 119  27.229   0.150  -6.011
 1370   3HG1  VAL 119          HG13      VAL 119  28.299   0.467  -4.645
 1371   1HG2  VAL 119          HG21      VAL 119  28.438   0.241  -8.161
 1372   2HG2  VAL 119          HG22      VAL 119  29.765   1.379  -8.392
 1373   3HG2  VAL 119          HG23      VAL 119  28.099   1.956  -8.390
 1374    H    ASN 120           HN       ASN 120  30.497   3.654  -5.665
 1375    HA   ASN 120           HA       ASN 120  30.237   6.173  -6.959
 1376   1HB   ASN 120          HB2       ASN 120  32.551   4.628  -5.822
 1377   2HB   ASN 120          HB1       ASN 120  32.822   6.116  -6.724
 1378   1HD2  ASN 120          HD21      ASN 120  31.032   7.835  -5.981
 1379   2HD2  ASN 120          HD22      ASN 120  31.024   8.100  -4.274
 1380    H    SER 121           HN       SER 121  30.001   6.360  -9.087
 1381    HA   SER 121           HA       SER 121  31.666   4.663 -10.829
 1382   1HB   SER 121          HB2       SER 121  29.813   5.190 -12.560
 1383   2HB   SER 121          HB1       SER 121  29.465   4.003 -11.303
 1384    HG   SER 121           HG       SER 121  27.768   5.271 -11.089