*HEADER    TRANSPORT PROTEIN                       29-SEP-09   2KOO              
*TITLE     NMR SOLUTION STRUCTURES OF HEXANOYL-ACP FROM THE STREPTOMYCES         
*TITLE    2 COELICOLOR FATTY ACID SYNTHASE                                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ACYL CARRIER PROTEIN;                                      
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: STREPTOMYCES COELICOLOR;                        
*SOURCE   3 ORGANISM_TAXID: 1902;                                                
*SOURCE   4 GENE: ACPP, SCO2389, SC4A7.17;                                       
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: SC-APOFAS-PET21                           
*KEYWDS    ACYL CARRIER PROTEIN, INTERMEDIATE BINDING, FATTY ACID SYNTHASE,      
*KEYWDS   2 TRANSPORT PROTEIN                                                    
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    E.PLOSKON, C.J.ARTHUR, M.P.CRUMP                                      
*REVDAT   1   18-AUG-10 2KOO    0                                                


 ASSI {    2}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 17   and name HB1 ))
      5.500     3.800     0.500 peak     2 spectrum    1 weight  0.10000E+01 volume  0.14809E-03 ppm1      3.936 ppm2      2.247 CV     1
 OR {    2}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 45   and name HB1 ))
 OR {    2}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 45   and name HG2 ))
 OR {    2}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 46   and name HB  ))
 ASSI {    3}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
      5.500     3.800     0.500 peak     3 spectrum    1 weight  0.10000E+01 volume  0.16906E-03 ppm1      3.933 ppm2      2.147 CV     1
 OR {    3}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 45   and name HB2 ))
 ASSI {    8}
   (( segid "    " and resid 38   and name HA  ))
   (  segid "    " and resid 38   and name HG1%)
      2.200     0.600     0.600 peak     8 spectrum    1 weight  0.10000E+01 volume  0.10214E-01 ppm1      3.936 ppm2      0.953 CV     1
 OR {    8}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 18   and name HG2%)
 OR {    8}
   (( segid "    " and resid 42   and name HB1 ))
   (  segid "    " and resid 18   and name HG2%)
 OR {    8}
   (( segid "    " and resid 42   and name HB1 ))
   (  segid "    " and resid 46   and name HG2%)
 OR {    8}
   (( segid "    " and resid 38   and name HA  ))
   (  segid "    " and resid 38   and name HG2%)
 ASSI {   13}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 17   and name HN  ))
      4.400     2.500     1.600 peak    13 spectrum    1 weight  0.10000E+01 volume  0.71687E-03 ppm1      1.631 ppm2      8.328 CV     1
 OR {   13}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 43   and name HN  ))
 ASSI {   14}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 18   and name HN  ))
      2.400     0.700     0.700 peak    14 spectrum    1 weight  0.10000E+01 volume  0.53877E-02 ppm1      1.635 ppm2      8.202 CV     1
 OR {   14}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI {   16}
   (( segid "    " and resid 21   and name HB  ))
   (( segid "    " and resid 16   and name HD22))
      4.200     2.200     1.800 peak    16 spectrum    1 weight  0.10000E+01 volume  0.61793E-03 ppm1      1.627 ppm2      8.084 CV     1
 OR {   16}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 46   and name HN  ))
 OR {   16}
   (( segid "    " and resid 21   and name HB  ))
   (( segid "    " and resid 38   and name HN  ))
 OR {   16}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 41   and name HN  ))
 ASSI {   18}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 15   and name HA  ))
      3.100     1.200     1.200 peak    18 spectrum    1 weight  0.10000E+01 volume  0.21565E-02 ppm1      1.634 ppm2      3.596 CV     1
 OR {   18}
   (( segid "    " and resid 21   and name HB  ))
   (( segid "    " and resid 15   and name HA  ))
 ASSI {   20}
   (( segid "    " and resid 21   and name HB  ))
   (( segid "    " and resid 21   and name HA  ))
      3.000     1.100     1.100 peak    20 spectrum    1 weight  0.10000E+01 volume  0.19052E-02 ppm1      1.618 ppm2      4.321 CV     1
 OR {   20}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 42   and name HA  ))
 ASSI {   21}
   (( segid "    " and resid 21   and name HB  ))
   (( segid "    " and resid 15   and name HB  ))
      3.500     1.600     1.600 peak    21 spectrum    1 weight  0.10000E+01 volume  0.97499E-03 ppm1      1.632 ppm2      2.291 CV     1
 OR {   21}
   (( segid "    " and resid 21   and name HB  ))
   (( segid "    " and resid 36   and name HB1 ))
 OR {   21}
   (( segid "    " and resid 21   and name HB  ))
   (( segid "    " and resid 26   and name HB  ))
 OR {   21}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 17   and name HB1 ))
 OR {   21}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 45   and name HB1 ))
 OR {   21}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 46   and name HB  ))
 OR {   21}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 45   and name HG2 ))
 ASSI {   22}
   (( segid "    " and resid 21   and name HB  ))
   (( segid "    " and resid 15   and name HB  ))
      3.400     1.400     1.400 peak    22 spectrum    1 weight  0.10000E+01 volume  0.11657E-02 ppm1      1.628 ppm2      2.258 CV     1
 OR {   22}
   (( segid "    " and resid 21   and name HB  ))
   (( segid "    " and resid 36   and name HB1 ))
 OR {   22}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 17   and name HB1 ))
 OR {   22}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 45   and name HB1 ))
 OR {   22}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 46   and name HB  ))
 OR {   22}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 45   and name HG2 ))
 ASSI {   23}
   (( segid "    " and resid 18   and name HB  ))
   (  segid "    " and resid 18   and name HD1%)
      2.600     0.800     0.800 peak    23 spectrum    1 weight  0.10000E+01 volume  0.36165E-02 ppm1      1.624 ppm2      0.803 CV     1
 OR {   23}
   (( segid "    " and resid 21   and name HB  ))
   (  segid "    " and resid 21   and name HD1%)
 OR {   23}
   (( segid "    " and resid 21   and name HB  ))
   (  segid "    " and resid 36   and name HD2%)
 ASSI {   24}
   (( segid "    " and resid 21   and name HB  ))
   (  segid "    " and resid 21   and name HG2%)
      1.900     0.400     0.400 peak    24 spectrum    1 weight  0.10000E+01 volume  0.15099E-01 ppm1      1.622 ppm2      0.996 CV     1
 OR {   24}
   (( segid "    " and resid 18   and name HB  ))
   (  segid "    " and resid 18   and name HG2%)
 OR {   24}
   (( segid "    " and resid 21   and name HB  ))
   (  segid "    " and resid 15   and name HG1%)
 OR {   24}
   (( segid "    " and resid 18   and name HB  ))
   (  segid "    " and resid 46   and name HG2%)
 ASSI {   25}
   (( segid "    " and resid 21   and name HB  ))
   (( segid "    " and resid 21   and name HG11))
      2.000     0.500     0.500 peak    25 spectrum    1 weight  0.10000E+01 volume  0.92516E-02 ppm1      1.623 ppm2      1.317 CV     1
 OR {   25}
   (( segid "    " and resid 21   and name HB  ))
   (( segid "    " and resid 21   and name HG12))
 OR {   25}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 18   and name HG12))
 ASSI {   26}
   (( segid "    " and resid 21   and name HB  ))
   (  segid "    " and resid 15   and name HG2%)
      3.900     1.900     1.900 peak    26 spectrum    1 weight  0.10000E+01 volume  0.12214E-02 ppm1      1.620 ppm2      1.185 CV     1
 OR {   26}
   (( segid "    " and resid 18   and name HB  ))
   (  segid "    " and resid 15   and name HG2%)
 ASSI {   29}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HN  ))
      3.100     1.200     1.200 peak    29 spectrum    1 weight  0.10000E+01 volume  0.23108E-02 ppm1      2.555 ppm2      7.832 CV     1
 OR {   29}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 56   and name HN  ))
 ASSI {   30}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HN  ))
      3.600     1.700     1.700 peak    30 spectrum    1 weight  0.10000E+01 volume  0.15972E-02 ppm1      3.256 ppm2      7.833 CV     1
 OR {   30}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 56   and name HN  ))
 ASSI {   39}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
      2.000     0.500     0.500 peak    39 spectrum    1 weight  0.10000E+01 volume  0.16671E-01 ppm1      4.492 ppm2      7.831 CV     1
 OR {   39}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
 ASSI {   69}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 80   and name HE21))
      3.300     1.300     1.300 peak    69 spectrum    1 weight  0.10000E+01 volume  0.15822E-02 ppm1      1.569 ppm2      7.670 CV     1
 OR {   69}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 6    and name HN  ))
 ASSI {   78}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 80   and name HG1 ))
      4.300     2.400     1.700 peak    78 spectrum    1 weight  0.10000E+01 volume  0.34617E-03 ppm1      1.568 ppm2      2.722 CV     1
 OR {   78}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 54   and name HB2 ))
 ASSI {   83}
   (  segid "    " and resid 2    and name HB% )
   (  segid "    " and resid 7    and name HD1%)
      2.700     0.900     0.900 peak    83 spectrum    1 weight  0.10000E+01 volume  0.55352E-02 ppm1      1.570 ppm2      0.527 CV     1
 OR {   83}
   (  segid "    " and resid 2    and name HB% )
   (  segid "    " and resid 76   and name HG2%)
 OR {   83}
   (  segid "    " and resid 2    and name HB% )
   (  segid "    " and resid 7    and name HG2%)
 ASSI {   97}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 7    and name HB  ))
      3.300     1.400     1.400 peak    97 spectrum    1 weight  0.10000E+01 volume  0.38440E-02 ppm1      3.705 ppm2      1.782 CV     1
 OR {   97}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 77   and name HB1 ))
 OR {   97}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 76   and name HB  ))
 ASSI {   98}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 7    and name HG11))
      3.900     1.900     1.900 peak    98 spectrum    1 weight  0.10000E+01 volume  0.91835E-03 ppm1      3.706 ppm2      1.540 CV     1
 OR {   98}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 2    and name HB% )
 OR {   98}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 72   and name HB% )
 ASSI {  106}
   (( segid "    " and resid 4    and name HB1 ))
   (  segid "    " and resid 77   and name HD2%)
      3.800     1.800     1.800 peak   106 spectrum    1 weight  0.10000E+01 volume  0.16524E-02 ppm1      2.185 ppm2      0.819 CV     1
 OR {  106}
   (( segid "    " and resid 80   and name HB2 ))
   (  segid "    " and resid 77   and name HD1%)
 OR {  106}
   (( segid "    " and resid 4    and name HB1 ))
   (  segid "    " and resid 77   and name HD1%)
 OR {  106}
   (( segid "    " and resid 4    and name HB1 ))
   (  segid "    " and resid 28   and name HD1%)
 ASSI {  107}
   (( segid "    " and resid 4    and name HB2 ))
   (  segid "    " and resid 77   and name HD2%)
      3.800     1.800     1.800 peak   107 spectrum    1 weight  0.10000E+01 volume  0.91840E-03 ppm1      2.045 ppm2      0.822 CV     1
 OR {  107}
   (( segid "    " and resid 4    and name HB2 ))
   (  segid "    " and resid 77   and name HD1%)
 OR {  107}
   (( segid "    " and resid 4    and name HB2 ))
   (  segid "    " and resid 28   and name HD1%)
 OR {  107}
   (( segid "    " and resid 24   and name HB1 ))
   (  segid "    " and resid 36   and name HD2%)
 OR {  107}
   (( segid "    " and resid 24   and name HB2 ))
   (  segid "    " and resid 36   and name HD2%)
 OR {  107}
   (( segid "    " and resid 5    and name HB1 ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI {  118}
   (( segid "    " and resid 4    and name HG1 ))
   (  segid "    " and resid 28   and name HD1%)
      3.500     1.600     1.600 peak   118 spectrum    1 weight  0.10000E+01 volume  0.16368E-02 ppm1      2.234 ppm2      0.819 CV     1
 OR {  118}
   (( segid "    " and resid 4    and name HG1 ))
   (  segid "    " and resid 77   and name HD2%)
 OR {  118}
   (( segid "    " and resid 4    and name HG1 ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI {  119}
   (( segid "    " and resid 4    and name HG2 ))
   (  segid "    " and resid 28   and name HD1%)
      3.600     1.600     1.600 peak   119 spectrum    1 weight  0.10000E+01 volume  0.14440E-02 ppm1      2.161 ppm2      0.821 CV     1
 OR {  119}
   (( segid "    " and resid 4    and name HG2 ))
   (  segid "    " and resid 77   and name HD2%)
 OR {  119}
   (( segid "    " and resid 4    and name HG2 ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI {  125}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      3.400     1.500     1.500 peak   125 spectrum    1 weight  0.10000E+01 volume  0.15005E-02 ppm1      3.931 ppm2      8.394 CV     1
 OR {  125}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
 ASSI {  132}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HB2 ))
      2.300     0.700     0.700 peak   132 spectrum    1 weight  0.10000E+01 volume  0.92717E-02 ppm1      3.936 ppm2      1.992 CV     1
 OR {  132}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 8    and name HB  ))
 ASSI {  135}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 5    and name HA  ))
      2.900     1.100     1.100 peak   135 spectrum    1 weight  0.10000E+01 volume  0.41177E-02 ppm1      1.985 ppm2      3.936 CV     1
 OR {  135}
   (( segid "    " and resid 14   and name HG11))
   (( segid "    " and resid 13   and name HA  ))
 ASSI {  136}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 6    and name HN  ))
      4.000     2.000     2.000 peak   136 spectrum    1 weight  0.10000E+01 volume  0.10356E-02 ppm1      2.093 ppm2      7.695 CV     1
 OR {  136}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 80   and name HE21))
 OR {  136}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 79   and name HN  ))
 OR {  136}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 80   and name HE22))
 ASSI {  138}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 5    and name HN  ))
      3.500     1.500     1.500 peak   138 spectrum    1 weight  0.10000E+01 volume  0.27700E-02 ppm1      2.089 ppm2      8.863 CV     1
 OR {  138}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 5    and name HN  ))
 ASSI {  139}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 5    and name HN  ))
      2.600     0.900     0.900 peak   139 spectrum    1 weight  0.10000E+01 volume  0.27790E-02 ppm1      1.983 ppm2      8.859 CV     1
 OR {  139}
   (( segid "    " and resid 14   and name HG11))
   (( segid "    " and resid 15   and name HN  ))
 ASSI {  145}
   (( segid "    " and resid 6    and name HB1 ))
   (( segid "    " and resid 6    and name HA  ))
      2.500     0.800     0.800 peak   145 spectrum    1 weight  0.10000E+01 volume  0.36929E-02 ppm1      2.487 ppm2      4.164 CV     1
 OR {  145}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 51   and name HA  ))
 ASSI {  146}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HA  ))
      2.500     0.800     0.800 peak   146 spectrum    1 weight  0.10000E+01 volume  0.58801E-02 ppm1      2.116 ppm2      4.158 CV     1
 OR {  146}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 6    and name HA  ))
 ASSI {  147}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 48   and name HA  ))
      3.900     1.900     1.900 peak   147 spectrum    1 weight  0.10000E+01 volume  0.20245E-02 ppm1      2.482 ppm2      3.953 CV     1
 OR {  147}
   (( segid "    " and resid 6    and name HB1 ))
   (( segid "    " and resid 5    and name HA  ))
 ASSI {  148}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 48   and name HA  ))
      2.900     1.000     1.000 peak   148 spectrum    1 weight  0.10000E+01 volume  0.13710E-02 ppm1      2.111 ppm2      3.953 CV     1
 OR {  148}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 5    and name HA  ))
 ASSI {  151}
   (( segid "    " and resid 6    and name HB2 ))
   (  segid "    " and resid 2    and name HB% )
      3.600     1.700     1.700 peak   151 spectrum    1 weight  0.10000E+01 volume  0.27861E-02 ppm1      2.116 ppm2      1.561 CV     1
 OR {  151}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 7    and name HG11))
 ASSI {  152}
   (( segid "    " and resid 6    and name HB1 ))
   (  segid "    " and resid 2    and name HB% )
      2.600     0.900     0.900 peak   152 spectrum    1 weight  0.10000E+01 volume  0.28087E-02 ppm1      2.496 ppm2      1.560 CV     1
 OR {  152}
   (( segid "    " and resid 6    and name HB1 ))
   (( segid "    " and resid 7    and name HG11))
 ASSI {  155}
   (( segid "    " and resid 6    and name HB1 ))
   (( segid "    " and resid 7    and name HN  ))
      2.400     2.400     3.600 peak   155 spectrum    1 weight  0.10000E+01 volume  0.14457E-02 ppm1      2.498 ppm2      8.396 CV     1
 OR {  155}
   (( segid "    " and resid 6    and name HB1 ))
   (( segid "    " and resid 8    and name HN  ))
 ASSI {  156}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 7    and name HN  ))
      3.400     1.500     1.500 peak   156 spectrum    1 weight  0.10000E+01 volume  0.13904E-02 ppm1      2.119 ppm2      8.394 CV     1
 OR {  156}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 8    and name HN  ))
 ASSI {  157}
   (( segid "    " and resid 6    and name HB1 ))
   (( segid "    " and resid 6    and name HN  ))
      2.800     1.000     1.000 peak   157 spectrum    1 weight  0.10000E+01 volume  0.37996E-02 ppm1      2.489 ppm2      7.710 CV     1
 OR {  157}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 52   and name HN  ))
 OR {  157}
   (( segid "    " and resid 6    and name HB1 ))
   (( segid "    " and resid 80   and name HE22))
 ASSI {  158}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 6    and name HN  ))
      2.500     0.800     0.800 peak   158 spectrum    1 weight  0.10000E+01 volume  0.31603E-02 ppm1      2.115 ppm2      7.711 CV     1
 OR {  158}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 52   and name HN  ))
 ASSI {  159}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 51   and name HN  ))
      3.500     1.500     1.500 peak   159 spectrum    1 weight  0.10000E+01 volume  0.29786E-02 ppm1      2.476 ppm2      8.860 CV     1
 OR {  159}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 50   and name HN  ))
 OR {  159}
   (( segid "    " and resid 6    and name HB1 ))
   (( segid "    " and resid 5    and name HN  ))
 OR {  159}
   (( segid "    " and resid 6    and name HB1 ))
   (( segid "    " and resid 2    and name HN  ))
 ASSI {  160}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HN  ))
      2.700     0.900     0.900 peak   160 spectrum    1 weight  0.10000E+01 volume  0.23810E-02 ppm1      2.114 ppm2      8.860 CV     1
 OR {  160}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 5    and name HN  ))
 OR {  160}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 50   and name HN  ))
 ASSI {  161}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 57   and name HA  ))
      3.200     1.300     1.300 peak   161 spectrum    1 weight  0.10000E+01 volume  0.63593E-03 ppm1      2.485 ppm2      4.731 CV     1
 OR {  161}
   (( segid "    " and resid 6    and name HB1 ))
   (( segid "    " and resid 3    and name HB  ))
 ASSI {  162}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 57   and name HA  ))
      4.400     2.500     1.600 peak   162 spectrum    1 weight  0.10000E+01 volume  0.64136E-03 ppm1      2.112 ppm2      4.731 CV     1
 OR {  162}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 3    and name HB  ))
 ASSI {  163}
   (( segid "    " and resid 6    and name HG1 ))
   (( segid "    " and resid 7    and name HN  ))
      4.400     2.400     1.600 peak   163 spectrum    1 weight  0.10000E+01 volume  0.55955E-03 ppm1      2.395 ppm2      8.387 CV     1
 OR {  163}
   (( segid "    " and resid 6    and name HG2 ))
   (( segid "    " and resid 7    and name HN  ))
 OR {  163}
   (( segid "    " and resid 6    and name HG1 ))
   (( segid "    " and resid 8    and name HN  ))
 OR {  163}
   (( segid "    " and resid 6    and name HG2 ))
   (( segid "    " and resid 8    and name HN  ))
 ASSI {  167}
   (( segid "    " and resid 6    and name HA  ))
   (  segid "    " and resid 9    and name HB% )
      2.700     0.900     0.900 peak   167 spectrum    1 weight  0.10000E+01 volume  0.60857E-02 ppm1      4.137 ppm2      1.520 CV     1
 OR {  167}
   (( segid "    " and resid 6    and name HA  ))
   (  segid "    " and resid 2    and name HB% )
 OR {  167}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 7    and name HG11))
 ASSI {  171}
   (( segid "    " and resid 51   and name HB2 ))
   (  segid "    " and resid 47   and name HG1%)
      4.300     2.300     1.700 peak   171 spectrum    1 weight  0.10000E+01 volume  0.69179E-03 ppm1      2.111 ppm2      0.858 CV     1
 OR {  171}
   (( segid "    " and resid 6    and name HB2 ))
   (  segid "    " and resid 77   and name HD2%)
 OR {  171}
   (( segid "    " and resid 51   and name HB2 ))
   (  segid "    " and resid 47   and name HG2%)
 OR {  171}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 58   and name HG12))
 OR {  171}
   (( segid "    " and resid 6    and name HB2 ))
   (  segid "    " and resid 77   and name HD1%)
 OR {  171}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 53   and name HG1 ))
 ASSI {  172}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
      3.300     1.300     1.300 peak   172 spectrum    1 weight  0.10000E+01 volume  0.15012E-02 ppm1      4.122 ppm2      7.832 CV     1
 OR {  172}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
 ASSI {  176}
   (( segid "    " and resid 6    and name HG1 ))
   (( segid "    " and resid 6    and name HN  ))
      3.800     1.800     1.800 peak   176 spectrum    1 weight  0.10000E+01 volume  0.16296E-02 ppm1      2.429 ppm2      7.692 CV     1
 OR {  176}
   (( segid "    " and resid 6    and name HG1 ))
   (( segid "    " and resid 9    and name HN  ))
 OR {  176}
   (( segid "    " and resid 6    and name HG1 ))
   (( segid "    " and resid 80   and name HE22))
 ASSI {  181}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      4.000     2.000     2.000 peak   181 spectrum    1 weight  0.10000E+01 volume  0.65799E-03 ppm1      3.888 ppm2      7.713 CV     1
 OR {  181}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 6    and name HN  ))
 OR {  181}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 80   and name HE22))
 ASSI {  184}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 7    and name HN  ))
      2.000     0.500     0.500 peak   184 spectrum    1 weight  0.10000E+01 volume  0.79923E-02 ppm1      1.787 ppm2      8.396 CV     1
 OR {  184}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 8    and name HN  ))
 ASSI {  186}
   (( segid "    " and resid 76   and name HB  ))
   (( segid "    " and resid 76   and name HN  ))
      2.000     0.500     0.500 peak   186 spectrum    1 weight  0.10000E+01 volume  0.79329E-02 ppm1      1.783 ppm2      8.507 CV     1
 OR {  186}
   (( segid "    " and resid 76   and name HB  ))
   (( segid "    " and resid 77   and name HN  ))
 OR {  186}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 3    and name HN  ))
 OR {  186}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 77   and name HN  ))
 ASSI {  187}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 77   and name HN  ))
      2.800     1.000     1.000 peak   187 spectrum    1 weight  0.10000E+01 volume  0.23421E-02 ppm1      0.530 ppm2      8.507 CV     1
 OR {  187}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 76   and name HN  ))
 OR {  187}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 3    and name HN  ))
 ASSI {  189}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 80   and name HE22))
      3.800     1.800     1.800 peak   189 spectrum    1 weight  0.10000E+01 volume  0.10575E-02 ppm1      0.529 ppm2      7.726 CV     1
 OR {  189}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 6    and name HN  ))
 OR {  189}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 79   and name HN  ))
 ASSI {  190}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 80   and name HE21))
      2.900     1.100     1.100 peak   190 spectrum    1 weight  0.10000E+01 volume  0.14620E-02 ppm1      0.530 ppm2      7.656 CV     1
 OR {  190}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 6    and name HN  ))
 ASSI {  193}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 77   and name HN  ))
      4.000     2.000     2.000 peak   193 spectrum    1 weight  0.10000E+01 volume  0.13954E-02 ppm1      0.565 ppm2      8.507 CV     1
 OR {  193}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 76   and name HN  ))
 OR {  193}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 3    and name HN  ))
 ASSI {  197}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 11   and name HN  ))
      4.000     2.000     2.000 peak   197 spectrum    1 weight  0.10000E+01 volume  0.58047E-03 ppm1      0.566 ppm2      9.230 CV     1
 OR {  197}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 4    and name HN  ))
 ASSI {  202}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 6    and name HB2 ))
      4.800     2.900     1.200 peak   202 spectrum    1 weight  0.10000E+01 volume  0.55097E-03 ppm1      3.887 ppm2      2.119 CV     1
 OR {  202}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
 OR {  202}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 4    and name HG2 ))
 ASSI {  204}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HB  ))
      2.700     0.900     0.900 peak   204 spectrum    1 weight  0.10000E+01 volume  0.24159E-02 ppm1      3.888 ppm2      1.785 CV     1
 OR {  204}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 76   and name HB  ))
 ASSI {  205}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HG11))
      2.700     0.900     0.900 peak   205 spectrum    1 weight  0.10000E+01 volume  0.42990E-02 ppm1      3.887 ppm2      1.546 CV     1
 OR {  205}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 2    and name HB% )
 OR {  205}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 50   and name HB% )
 ASSI {  208}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 7    and name HG2%)
      2.300     0.600     0.600 peak   208 spectrum    1 weight  0.10000E+01 volume  0.71847E-02 ppm1      3.887 ppm2      0.554 CV     1
 OR {  208}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 7    and name HD1%)
 OR {  208}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 76   and name HG2%)
 ASSI {  211}
   (( segid "    " and resid 76   and name HB  ))
   (  segid "    " and resid 7    and name HD1%)
      1.700     0.400     0.500 peak   211 spectrum    1 weight  0.10000E+01 volume  0.16241E-01 ppm1      1.785 ppm2      0.545 CV     1
 OR {  211}
   (( segid "    " and resid 76   and name HB  ))
   (  segid "    " and resid 76   and name HG2%)
 OR {  211}
   (( segid "    " and resid 7    and name HB  ))
   (  segid "    " and resid 7    and name HG2%)
 OR {  211}
   (( segid "    " and resid 76   and name HB  ))
   (  segid "    " and resid 7    and name HG2%)
 OR {  211}
   (( segid "    " and resid 7    and name HB  ))
   (  segid "    " and resid 7    and name HD1%)
 ASSI {  212}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 7    and name HG12))
      2.900     1.100     1.100 peak   212 spectrum    1 weight  0.10000E+01 volume  0.21126E-02 ppm1      1.787 ppm2      0.236 CV     1
 OR {  212}
   (( segid "    " and resid 76   and name HB  ))
   (( segid "    " and resid 7    and name HG12))
 ASSI {  215}
   (( segid "    " and resid 76   and name HB  ))
   (( segid "    " and resid 73   and name HA  ))
      2.600     0.800     0.800 peak   215 spectrum    1 weight  0.10000E+01 volume  0.41870E-02 ppm1      1.785 ppm2      3.693 CV     1
 OR {  215}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 73   and name HA  ))
 OR {  215}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 4    and name HA  ))
 ASSI {  219}
   (( segid "    " and resid 7    and name HG12))
   (( segid "    " and resid 7    and name HA  ))
      2.600     0.800     0.800 peak   219 spectrum    1 weight  0.10000E+01 volume  0.24198E-02 ppm1      0.234 ppm2      3.885 CV     1
 OR {  219}
   (( segid "    " and resid 7    and name HG12))
   (( segid "    " and resid 77   and name HA  ))
 ASSI {  220}
   (( segid "    " and resid 7    and name HG11))
   (( segid "    " and resid 7    and name HA  ))
      2.900     1.000     1.000 peak   220 spectrum    1 weight  0.10000E+01 volume  0.23051E-02 ppm1      1.546 ppm2      3.886 CV     1
 OR {  220}
   (( segid "    " and resid 7    and name HG11))
   (( segid "    " and resid 77   and name HA  ))
 ASSI {  222}
   (( segid "    " and resid 7    and name HG12))
   (  segid "    " and resid 7    and name HD1%)
      2.000     0.500     0.500 peak   222 spectrum    1 weight  0.10000E+01 volume  0.86208E-02 ppm1      0.235 ppm2      0.535 CV     1
 OR {  222}
   (( segid "    " and resid 7    and name HG12))
   (  segid "    " and resid 7    and name HG2%)
 OR {  222}
   (( segid "    " and resid 7    and name HG12))
   (  segid "    " and resid 76   and name HG2%)
 ASSI {  223}
   (( segid "    " and resid 7    and name HG11))
   (  segid "    " and resid 7    and name HD1%)
      2.100     0.600     0.600 peak   223 spectrum    1 weight  0.10000E+01 volume  0.71933E-02 ppm1      1.545 ppm2      0.531 CV     1
 OR {  223}
   (( segid "    " and resid 7    and name HG11))
   (  segid "    " and resid 7    and name HG2%)
 OR {  223}
   (( segid "    " and resid 7    and name HG11))
   (  segid "    " and resid 76   and name HG2%)
 ASSI {  225}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 4    and name HN  ))
      4.700     2.700     1.300 peak   225 spectrum    1 weight  0.10000E+01 volume  0.37889E-03 ppm1      0.529 ppm2      9.232 CV     1
 OR {  225}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 11   and name HN  ))
 ASSI {  231}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 2    and name HA  ))
      4.300     2.300     1.700 peak   231 spectrum    1 weight  0.10000E+01 volume  0.35659E-03 ppm1      0.532 ppm2      4.839 CV     1
 OR {  231}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 54   and name HA  ))
 ASSI {  232}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 3    and name HA  ))
      4.900     3.000     1.100 peak   232 spectrum    1 weight  0.10000E+01 volume  0.37330E-03 ppm1      0.527 ppm2      4.431 CV     1
 OR {  232}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 80   and name HA  ))
 OR {  232}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 78   and name HA  ))
 ASSI {  236}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 76   and name HA  ))
      5.600     3.900     0.400 peak   236 spectrum    1 weight  0.10000E+01 volume  0.15738E-03 ppm1      0.521 ppm2      3.464 CV     1
 OR {  236}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 54   and name HB1 ))
 ASSI {  240}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 6    and name HB1 ))
      5.100     3.200     0.900 peak   240 spectrum    1 weight  0.10000E+01 volume  0.33422E-03 ppm1      0.528 ppm2      2.507 CV     1
 OR {  240}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 79   and name HB2 ))
 ASSI {  242}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 4    and name HG2 ))
      4.400     2.400     1.600 peak   242 spectrum    1 weight  0.10000E+01 volume  0.88350E-03 ppm1      0.530 ppm2      2.151 CV     1
 OR {  242}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 80   and name HB2 ))
 OR {  242}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 11   and name HB1 ))
 ASSI {  253}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 7    and name HB  ))
      1.900     0.500     0.500 peak   253 spectrum    1 weight  0.10000E+01 volume  0.97545E-02 ppm1      0.565 ppm2      1.781 CV     1
 OR {  253}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 76   and name HB  ))
 ASSI {  264}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      2.600     0.800     0.800 peak   264 spectrum    1 weight  0.10000E+01 volume  0.42109E-02 ppm1      3.386 ppm2      8.392 CV     1
 OR {  264}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
 ASSI {  273}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 7    and name HA  ))
      4.600     2.700     1.400 peak   273 spectrum    1 weight  0.10000E+01 volume  0.41689E-03 ppm1      3.391 ppm2      3.917 CV     1
 OR {  273}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 5    and name HA  ))
 OR {  273}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 10   and name HA2 ))
 ASSI {  275}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 73   and name HA  ))
      4.700     2.700     1.300 peak   275 spectrum    1 weight  0.10000E+01 volume  0.53489E-03 ppm1      3.385 ppm2      3.663 CV     1
 OR {  275}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 4    and name HA  ))
 ASSI {  276}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 28   and name HA  ))
      5.600     3.900     0.400 peak   276 spectrum    1 weight  0.10000E+01 volume  0.17486E-03 ppm1      3.389 ppm2      3.587 CV     1
 OR {  276}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 26   and name HA  ))
 OR {  276}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 23   and name HA  ))
 ASSI {  279}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
      3.600     1.600     1.600 peak   279 spectrum    1 weight  0.10000E+01 volume  0.33226E-02 ppm1      3.386 ppm2      2.120 CV     1
 OR {  279}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 4    and name HG2 ))
 ASSI {  280}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HB  ))
      2.700     0.900     0.900 peak   280 spectrum    1 weight  0.10000E+01 volume  0.37068E-02 ppm1      3.386 ppm2      2.013 CV     1
 OR {  280}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 11   and name HG  ))
 ASSI {  281}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 7    and name HB  ))
      4.000     2.000     2.000 peak   281 spectrum    1 weight  0.10000E+01 volume  0.53457E-03 ppm1      3.390 ppm2      1.774 CV     1
 OR {  281}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 28   and name HB1 ))
 OR {  281}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 76   and name HB  ))
 OR {  281}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 28   and name HG  ))
 ASSI {  282}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 9    and name HB% )
      4.900     3.000     1.100 peak   282 spectrum    1 weight  0.10000E+01 volume  0.48391E-03 ppm1      3.383 ppm2      1.522 CV     1
 OR {  282}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 7    and name HG11))
 OR {  282}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 50   and name HB% )
 OR {  282}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 2    and name HB% )
 ASSI {  284}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 73   and name HG2%)
      4.600     2.600     1.400 peak   284 spectrum    1 weight  0.10000E+01 volume  0.49337E-03 ppm1      3.385 ppm2      1.140 CV     1
 OR {  284}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 15   and name HG2%)
 ASSI {  286}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 12   and name HB% )
      4.300     2.300     1.700 peak   286 spectrum    1 weight  0.10000E+01 volume  0.47350E-03 ppm1      3.385 ppm2      1.687 CV     1
 OR {  286}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 28   and name HB1 ))
 ASSI {  287}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 8    and name HG1%)
      2.400     0.700     0.700 peak   287 spectrum    1 weight  0.10000E+01 volume  0.81238E-02 ppm1      3.386 ppm2      0.892 CV     1
 OR {  287}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 11   and name HD1%)
 ASSI {  289}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 7    and name HG2%)
      3.200     1.300     1.300 peak   289 spectrum    1 weight  0.10000E+01 volume  0.14641E-02 ppm1      3.385 ppm2      0.558 CV     1
 OR {  289}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 7    and name HD1%)
 OR {  289}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 76   and name HG2%)
 ASSI {  294}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 70   and name HA1 ))
      5.800     4.300     0.200 peak   294 spectrum    1 weight  0.10000E+01 volume  0.16553E-03 ppm1      1.044 ppm2      4.038 CV     1
 OR {  294}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 12   and name HA  ))
 OR {  294}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 10   and name HA1 ))
 ASSI {  295}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 5    and name HA  ))
      3.500     1.500     1.500 peak   295 spectrum    1 weight  0.10000E+01 volume  0.21709E-02 ppm1      1.045 ppm2      3.932 CV     1
 OR {  295}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 7    and name HA  ))
 ASSI {  297}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 4    and name HA  ))
      3.400     1.500     1.500 peak   297 spectrum    1 weight  0.10000E+01 volume  0.20799E-02 ppm1      1.045 ppm2      3.668 CV     1
 OR {  297}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 73   and name HA  ))
 ASSI {  298}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 28   and name HA  ))
      3.700     1.700     1.700 peak   298 spectrum    1 weight  0.10000E+01 volume  0.74615E-03 ppm1      1.044 ppm2      3.578 CV     1
 OR {  298}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 26   and name HA  ))
 ASSI {  302}
   (  segid "    " and resid 8    and name HG1%)
   (( segid "    " and resid 27   and name HA  ))
      3.400     1.500     1.500 peak   302 spectrum    1 weight  0.10000E+01 volume  0.92740E-03 ppm1      0.900 ppm2      4.633 CV     1
 OR {  302}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 25   and name HA  ))
 OR {  302}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 27   and name HA  ))
 ASSI {  305}
   (  segid "    " and resid 8    and name HG1%)
   (( segid "    " and resid 8    and name HB  ))
      2.200     0.600     0.600 peak   305 spectrum    1 weight  0.10000E+01 volume  0.95503E-02 ppm1      0.900 ppm2      2.023 CV     1
 OR {  305}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 48   and name HB  ))
 OR {  305}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 63   and name HB  ))
 OR {  305}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 59   and name HG1 ))
 OR {  305}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 30   and name HB1 ))
 ASSI {  306}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 7    and name HB  ))
      2.900     1.100     1.100 peak   306 spectrum    1 weight  0.10000E+01 volume  0.34134E-02 ppm1      1.044 ppm2      1.781 CV     1
 OR {  306}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 28   and name HB1 ))
 OR {  306}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 28   and name HG  ))
 OR {  306}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 76   and name HB  ))
 ASSI {  308}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 7    and name HG11))
      4.600     2.700     1.400 peak   308 spectrum    1 weight  0.10000E+01 volume  0.63026E-03 ppm1      1.041 ppm2      1.545 CV     1
 OR {  308}
   (  segid "    " and resid 8    and name HG2%)
   (  segid "    " and resid 72   and name HB% )
 OR {  308}
   (  segid "    " and resid 8    and name HG2%)
   (  segid "    " and resid 9    and name HB% )
 OR {  308}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 27   and name HB2 ))
 OR {  308}
   (  segid "    " and resid 8    and name HG2%)
   (  segid "    " and resid 2    and name HB% )
 ASSI {  309}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 28   and name HB2 ))
      4.100     2.100     1.900 peak   309 spectrum    1 weight  0.10000E+01 volume  0.72102E-03 ppm1      1.044 ppm2      1.481 CV     1
 OR {  309}
   (  segid "    " and resid 8    and name HG2%)
   (  segid "    " and resid 9    and name HB% )
 OR {  309}
   (  segid "    " and resid 8    and name HG2%)
   (  segid "    " and resid 50   and name HB% )
 ASSI {  310}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 69   and name HB  ))
      4.500     2.600     1.500 peak   310 spectrum    1 weight  0.10000E+01 volume  0.37180E-03 ppm1      1.045 ppm2      2.311 CV     1
 OR {  310}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 26   and name HB  ))
 ASSI {  313}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 8    and name HB  ))
      2.100     0.600     0.600 peak   313 spectrum    1 weight  0.10000E+01 volume  0.89757E-02 ppm1      1.044 ppm2      2.016 CV     1
 OR {  313}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 4    and name HB2 ))
 ASSI {  314}
   (  segid "    " and resid 8    and name HG2%)
   (  segid "    " and resid 69   and name HG2%)
      3.500     1.500     1.500 peak   314 spectrum    1 weight  0.10000E+01 volume  0.38824E-02 ppm1      1.044 ppm2      0.640 CV     1
 OR {  314}
   (  segid "    " and resid 8    and name HG2%)
   (  segid "    " and resid 76   and name HD1%)
 ASSI {  324}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 9    and name HN  ))
      3.900     1.900     1.900 peak   324 spectrum    1 weight  0.10000E+01 volume  0.13113E-02 ppm1      1.045 ppm2      7.727 CV     1
 OR {  324}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 6    and name HN  ))
 ASSI {  327}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 5    and name HN  ))
      4.500     2.500     1.500 peak   327 spectrum    1 weight  0.10000E+01 volume  0.25715E-03 ppm1      1.042 ppm2      8.879 CV     1
 OR {  327}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 12   and name HN  ))
 ASSI {  333}
   (  segid "    " and resid 8    and name HG1%)
   (( segid "    " and resid 12   and name HN  ))
      4.500     2.500     1.500 peak   333 spectrum    1 weight  0.10000E+01 volume  0.42771E-03 ppm1      0.894 ppm2      8.943 CV     1
 OR {  333}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 12   and name HN  ))
 ASSI {  342}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      3.300     1.400     1.400 peak   342 spectrum    1 weight  0.10000E+01 volume  0.15572E-02 ppm1      4.225 ppm2      8.393 CV     1
 OR {  342}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
 ASSI {  348}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 49   and name HN  ))
      4.200     2.200     1.800 peak   348 spectrum    1 weight  0.10000E+01 volume  0.99299E-03 ppm1      1.519 ppm2      7.922 CV     1
 OR {  348}
   (  segid "    " and resid 9    and name HB% )
   (( segid "    " and resid 13   and name HN  ))
 OR {  348}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 48   and name HN  ))
 ASSI {  352}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 50   and name HA  ))
      3.600     1.700     1.700 peak   352 spectrum    1 weight  0.10000E+01 volume  0.97125E-03 ppm1      4.234 ppm2      3.950 CV     1
 OR {  352}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 48   and name HA  ))
 OR {  352}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 13   and name HA  ))
 OR {  352}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 53   and name HA  ))
 ASSI {  353}
   (( segid "    " and resid 9    and name HA  ))
   (  segid "    " and resid 9    and name HB% )
      2.000     0.500     0.500 peak   353 spectrum    1 weight  0.10000E+01 volume  0.23965E-01 ppm1      4.232 ppm2      1.523 CV     1
 OR {  353}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 49   and name HB% )
 ASSI {  355}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 52   and name HG2 ))
      4.000     2.000     2.000 peak   355 spectrum    1 weight  0.10000E+01 volume  0.67032E-03 ppm1      4.242 ppm2      2.251 CV     1
 OR {  355}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 13   and name HB2 ))
 OR {  355}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 13   and name HB1 ))
 OR {  355}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 51   and name HG2 ))
 OR {  355}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 47   and name HB  ))
 OR {  355}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 15   and name HB  ))
 ASSI {  356}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 52   and name HB1 ))
      3.100     1.200     1.200 peak   356 spectrum    1 weight  0.10000E+01 volume  0.25838E-02 ppm1      4.242 ppm2      2.133 CV     1
 OR {  356}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 14   and name HB  ))
 OR {  356}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 51   and name HB2 ))
 OR {  356}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI {  357}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 52   and name HB2 ))
      2.900     1.100     1.100 peak   357 spectrum    1 weight  0.10000E+01 volume  0.25686E-02 ppm1      4.242 ppm2      2.045 CV     1
 OR {  357}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 8    and name HB  ))
 OR {  357}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 48   and name HB  ))
 ASSI {  358}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 14   and name HG2%)
      4.500     2.500     1.500 peak   358 spectrum    1 weight  0.10000E+01 volume  0.97303E-03 ppm1      4.238 ppm2      1.080 CV     1
 OR {  358}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 14   and name HG12))
 OR {  358}
   (( segid "    " and resid 9    and name HA  ))
   (  segid "    " and resid 8    and name HG2%)
 ASSI {  359}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 48   and name HG1%)
      3.300     1.300     1.300 peak   359 spectrum    1 weight  0.10000E+01 volume  0.17926E-02 ppm1      4.241 ppm2      0.995 CV     1
 OR {  359}
   (( segid "    " and resid 9    and name HA  ))
   (  segid "    " and resid 8    and name HG2%)
 OR {  359}
   (( segid "    " and resid 9    and name HA  ))
   (  segid "    " and resid 23   and name HG1%)
 ASSI {  360}
   (( segid "    " and resid 9    and name HA  ))
   (  segid "    " and resid 8    and name HG1%)
      3.200     1.300     1.300 peak   360 spectrum    1 weight  0.10000E+01 volume  0.18523E-02 ppm1      4.225 ppm2      0.894 CV     1
 OR {  360}
   (( segid "    " and resid 9    and name HA  ))
   (  segid "    " and resid 26   and name HG2%)
 OR {  360}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 47   and name HG1%)
 OR {  360}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 53   and name HG1 ))
 OR {  360}
   (( segid "    " and resid 9    and name HA  ))
   (  segid "    " and resid 11   and name HD1%)
 OR {  360}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 11   and name HD2%)
 ASSI {  361}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 14   and name HD1%)
      4.400     2.500     1.600 peak   361 spectrum    1 weight  0.10000E+01 volume  0.73578E-03 ppm1      4.243 ppm2      0.756 CV     1
 OR {  361}
   (( segid "    " and resid 9    and name HA  ))
   (  segid "    " and resid 26   and name HG1%)
 ASSI {  371}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 14   and name HN  ))
      5.500     3.800     0.500 peak   371 spectrum    1 weight  0.10000E+01 volume  0.22791E-03 ppm1      4.085 ppm2      8.196 CV     1
 OR {  371}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 53   and name HN  ))
 ASSI {  372}
   (( segid "    " and resid 10   and name HA2 ))
   (( segid "    " and resid 14   and name HN  ))
      5.100     3.300     0.900 peak   372 spectrum    1 weight  0.10000E+01 volume  0.23011E-03 ppm1      3.878 ppm2      8.192 CV     1
 OR {  372}
   (( segid "    " and resid 10   and name HA2 ))
   (( segid "    " and resid 53   and name HN  ))
 ASSI {  382}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 11   and name HA  ))
      4.300     2.300     1.700 peak   382 spectrum    1 weight  0.10000E+01 volume  0.41405E-03 ppm1      4.074 ppm2      4.252 CV     1
 OR {  382}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 9    and name HA  ))
 ASSI {  383}
   (( segid "    " and resid 10   and name HA2 ))
   (( segid "    " and resid 9    and name HA  ))
      4.200     2.200     1.800 peak   383 spectrum    1 weight  0.10000E+01 volume  0.46788E-03 ppm1      3.875 ppm2      4.254 CV     1
 OR {  383}
   (( segid "    " and resid 10   and name HA2 ))
   (( segid "    " and resid 11   and name HA  ))
 ASSI {  397}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 11   and name HB1 ))
      6.000     5.500     0.000 peak   397 spectrum    1 weight  0.10000E+01 volume  0.71582E-04 ppm1      4.073 ppm2      2.117 CV     1
 OR {  397}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 14   and name HB  ))
 ASSI {  399}
   (( segid "    " and resid 10   and name HA2 ))
   (( segid "    " and resid 14   and name HB  ))
      6.000     4.700     0.000 peak   399 spectrum    1 weight  0.10000E+01 volume  0.12472E-03 ppm1      3.878 ppm2      2.114 CV     1
 OR {  399}
   (( segid "    " and resid 10   and name HA2 ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI {  401}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 11   and name HG  ))
      4.400     2.400     1.600 peak   401 spectrum    1 weight  0.10000E+01 volume  0.42400E-03 ppm1      4.054 ppm2      1.990 CV     1
 OR {  401}
   (( segid "    " and resid 70   and name HA1 ))
   (( segid "    " and resid 74   and name HB1 ))
 OR {  401}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 14   and name HG11))
 ASSI {  402}
   (( segid "    " and resid 10   and name HA2 ))
   (( segid "    " and resid 14   and name HG11))
      4.600     2.600     1.400 peak   402 spectrum    1 weight  0.10000E+01 volume  0.40110E-03 ppm1      3.873 ppm2      1.982 CV     1
 OR {  402}
   (( segid "    " and resid 10   and name HA2 ))
   (( segid "    " and resid 11   and name HG  ))
 ASSI {  403}
   (( segid "    " and resid 70   and name HA1 ))
   (  segid "    " and resid 28   and name HD2%)
      5.400     3.600     0.600 peak   403 spectrum    1 weight  0.10000E+01 volume  0.20037E-03 ppm1      4.060 ppm2      0.874 CV     1
 OR {  403}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 53   and name HG1 ))
 OR {  403}
   (( segid "    " and resid 10   and name HA1 ))
   (  segid "    " and resid 11   and name HD2%)
 OR {  403}
   (( segid "    " and resid 10   and name HA1 ))
   (  segid "    " and resid 11   and name HD1%)
 ASSI {  404}
   (( segid "    " and resid 10   and name HA2 ))
   (( segid "    " and resid 53   and name HG1 ))
      5.500     3.800     0.500 peak   404 spectrum    1 weight  0.10000E+01 volume  0.25834E-03 ppm1      3.869 ppm2      0.874 CV     1
 OR {  404}
   (( segid "    " and resid 10   and name HA2 ))
   (  segid "    " and resid 11   and name HD2%)
 OR {  404}
   (( segid "    " and resid 10   and name HA2 ))
   (  segid "    " and resid 11   and name HD1%)
 OR {  404}
   (( segid "    " and resid 10   and name HA2 ))
   (  segid "    " and resid 8    and name HG1%)
 ASSI {  405}
   (( segid "    " and resid 10   and name HA1 ))
   (  segid "    " and resid 9    and name HB% )
      4.300     2.300     1.700 peak   405 spectrum    1 weight  0.10000E+01 volume  0.78479E-03 ppm1      4.068 ppm2      1.517 CV     1
 OR {  405}
   (( segid "    " and resid 10   and name HA1 ))
   (  segid "    " and resid 50   and name HB% )
 OR {  405}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 7    and name HG11))
 ASSI {  406}
   (( segid "    " and resid 10   and name HA2 ))
   (  segid "    " and resid 9    and name HB% )
      4.000     2.000     2.000 peak   406 spectrum    1 weight  0.10000E+01 volume  0.78182E-03 ppm1      3.875 ppm2      1.517 CV     1
 OR {  406}
   (( segid "    " and resid 10   and name HA2 ))
   (  segid "    " and resid 50   and name HB% )
 OR {  406}
   (( segid "    " and resid 10   and name HA2 ))
   (( segid "    " and resid 7    and name HG11))
 ASSI {  407}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 53   and name HB2 ))
      5.000     3.100     1.000 peak   407 spectrum    1 weight  0.10000E+01 volume  0.33018E-03 ppm1      4.066 ppm2      1.051 CV     1
 OR {  407}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 14   and name HG12))
 OR {  407}
   (( segid "    " and resid 10   and name HA1 ))
   (  segid "    " and resid 8    and name HG2%)
 OR {  407}
   (( segid "    " and resid 10   and name HA1 ))
   (  segid "    " and resid 14   and name HG2%)
 ASSI {  408}
   (( segid "    " and resid 10   and name HA1 ))
   (  segid "    " and resid 14   and name HD1%)
      4.400     2.500     1.600 peak   408 spectrum    1 weight  0.10000E+01 volume  0.34091E-03 ppm1      4.063 ppm2      0.732 CV     1
 OR {  408}
   (( segid "    " and resid 10   and name HA1 ))
   (  segid "    " and resid 26   and name HG1%)
 ASSI {  409}
   (( segid "    " and resid 10   and name HA2 ))
   (  segid "    " and resid 14   and name HD1%)
      4.500     2.600     1.500 peak   409 spectrum    1 weight  0.10000E+01 volume  0.34594E-03 ppm1      3.873 ppm2      0.747 CV     1
 OR {  409}
   (( segid "    " and resid 10   and name HA2 ))
   (  segid "    " and resid 26   and name HG1%)
 ASSI {  427}
   (( segid "    " and resid 53   and name HG1 ))
   (  segid "    " and resid 54   and name HD% )
      3.400     1.400     1.400 peak   427 spectrum    1 weight  0.10000E+01 volume  0.91580E-03 ppm1      0.853 ppm2      7.470 CV     1
 OR {  427}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 54   and name HZ  ))
 OR {  427}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 54   and name HZ  ))
 OR {  427}
   (  segid "    " and resid 11   and name HD1%)
   (  segid "    " and resid 54   and name HD% )
 OR {  427}
   (( segid "    " and resid 58   and name HG12))
   (  segid "    " and resid 54   and name HD% )
 ASSI {  428}
   (( segid "    " and resid 53   and name HG1 ))
   (  segid "    " and resid 54   and name HE% )
      3.600     1.600     1.600 peak   428 spectrum    1 weight  0.10000E+01 volume  0.99834E-03 ppm1      0.852 ppm2      7.129 CV     1
 OR {  428}
   (  segid "    " and resid 11   and name HD1%)
   (  segid "    " and resid 54   and name HE% )
 ASSI {  429}
   (  segid "    " and resid 11   and name HD1%)
   (  segid "    " and resid 32   and name HE% )
      3.600     1.600     1.600 peak   429 spectrum    1 weight  0.10000E+01 volume  0.62547E-03 ppm1      0.850 ppm2      6.987 CV     1
 OR {  429}
   (( segid "    " and resid 58   and name HG12))
   (( segid "    " and resid 79   and name HD2 ))
 ASSI {  430}
   (( segid "    " and resid 58   and name HG12))
   (  segid "    " and resid 75   and name HD% )
      2.700     0.900     0.900 peak   430 spectrum    1 weight  0.10000E+01 volume  0.16908E-02 ppm1      0.852 ppm2      6.845 CV     1
 OR {  430}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 32   and name HZ  ))
 ASSI {  435}
   (  segid "    " and resid 11   and name HD2%)
   (  segid "    " and resid 54   and name HD% )
      3.800     1.800     1.800 peak   435 spectrum    1 weight  0.10000E+01 volume  0.13537E-02 ppm1      0.875 ppm2      7.472 CV     1
 OR {  435}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 54   and name HZ  ))
 OR {  435}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 62   and name HN  ))
 ASSI {  436}
   (  segid "    " and resid 11   and name HD2%)
   (  segid "    " and resid 54   and name HE% )
      2.600     0.900     0.900 peak   436 spectrum    1 weight  0.10000E+01 volume  0.22523E-02 ppm1      0.876 ppm2      7.124 CV     1
 OR {  436}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 64   and name HN  ))
 ASSI {  437}
   (  segid "    " and resid 11   and name HD2%)
   (  segid "    " and resid 32   and name HE% )
      4.100     2.100     1.900 peak   437 spectrum    1 weight  0.10000E+01 volume  0.94179E-03 ppm1      0.877 ppm2      6.998 CV     1
 OR {  437}
   (  segid "    " and resid 63   and name HG2%)
   (  segid "    " and resid 32   and name HE% )
 OR {  437}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 65   and name HD21))
 ASSI {  438}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 32   and name HZ  ))
      4.000     2.000     2.000 peak   438 spectrum    1 weight  0.10000E+01 volume  0.13692E-02 ppm1      0.875 ppm2      6.848 CV     1
 OR {  438}
   (  segid "    " and resid 63   and name HG2%)
   (  segid "    " and resid 75   and name HD% )
 OR {  438}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 32   and name HZ  ))
 ASSI {  440}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 12   and name HN  ))
      5.700     4.100     0.300 peak   440 spectrum    1 weight  0.10000E+01 volume  0.21761E-03 ppm1      0.871 ppm2      8.892 CV     1
 OR {  440}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 51   and name HN  ))
 ASSI {  442}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 10   and name HN  ))
      5.800     4.300     0.200 peak   442 spectrum    1 weight  0.10000E+01 volume  0.17362E-03 ppm1      0.871 ppm2      8.407 CV     1
 OR {  442}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 8    and name HN  ))
 OR {  442}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 7    and name HN  ))
 ASSI {  443}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 10   and name HN  ))
      5.700     4.000     0.300 peak   443 spectrum    1 weight  0.10000E+01 volume  0.21834E-03 ppm1      0.870 ppm2      8.370 CV     1
 OR {  443}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 8    and name HN  ))
 OR {  443}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 7    and name HN  ))
 OR {  443}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 43   and name HN  ))
 OR {  443}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 71   and name HN  ))
 ASSI {  444}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 14   and name HN  ))
      5.000     3.200     1.000 peak   444 spectrum    1 weight  0.10000E+01 volume  0.41900E-03 ppm1      0.874 ppm2      8.191 CV     1
 OR {  444}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 67   and name HN  ))
 OR {  444}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 72   and name HN  ))
 OR {  444}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 53   and name HN  ))
 OR {  444}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 72   and name HN  ))
 ASSI {  450}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 12   and name HA  ))
      4.400     2.400     1.600 peak   450 spectrum    1 weight  0.10000E+01 volume  0.36397E-03 ppm1      2.127 ppm2      4.054 CV     1
 OR {  450}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 10   and name HA1 ))
 ASSI {  451}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 8    and name HA  ))
      3.800     1.800     1.800 peak   451 spectrum    1 weight  0.10000E+01 volume  0.22044E-02 ppm1      2.122 ppm2      3.382 CV     1
 OR {  451}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 69   and name HA  ))
 ASSI {  452}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 8    and name HA  ))
      2.900     1.100     1.100 peak   452 spectrum    1 weight  0.10000E+01 volume  0.11496E-02 ppm1      1.271 ppm2      3.387 CV     1
 OR {  452}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 69   and name HA  ))
 ASSI {  454}
   (( segid "    " and resid 58   and name HG12))
   (( segid "    " and resid 57   and name HA  ))
      5.600     4.000     0.400 peak   454 spectrum    1 weight  0.10000E+01 volume  0.23229E-03 ppm1      0.850 ppm2      4.749 CV     1
 OR {  454}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 57   and name HA  ))
 ASSI {  455}
   (( segid "    " and resid 58   and name HG12))
   (( segid "    " and resid 58   and name HA  ))
      3.400     1.400     1.400 peak   455 spectrum    1 weight  0.10000E+01 volume  0.20669E-02 ppm1      0.855 ppm2      4.523 CV     1
 OR {  455}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 55   and name HA  ))
 ASSI {  457}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 10   and name HA1 ))
      4.400     2.400     1.600 peak   457 spectrum    1 weight  0.10000E+01 volume  0.54955E-03 ppm1      0.850 ppm2      4.098 CV     1
 OR {  457}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 72   and name HA  ))
 OR {  457}
   (( segid "    " and resid 58   and name HG12))
   (( segid "    " and resid 72   and name HA  ))
 OR {  457}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 10   and name HA1 ))
 OR {  457}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 12   and name HA  ))
 OR {  457}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 52   and name HA  ))
 ASSI {  458}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 10   and name HA1 ))
      4.700     2.800     1.300 peak   458 spectrum    1 weight  0.10000E+01 volume  0.35267E-03 ppm1      0.850 ppm2      4.044 CV     1
 OR {  458}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 10   and name HA1 ))
 OR {  458}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 12   and name HA  ))
 ASSI {  459}
   (( segid "    " and resid 11   and name HG  ))
   (( segid "    " and resid 7    and name HA  ))
      4.600     2.600     1.400 peak   459 spectrum    1 weight  0.10000E+01 volume  0.32002E-03 ppm1      1.982 ppm2      3.895 CV     1
 OR {  459}
   (( segid "    " and resid 11   and name HG  ))
   (( segid "    " and resid 10   and name HA2 ))
 ASSI {  460}
   (( segid "    " and resid 11   and name HG  ))
   (( segid "    " and resid 8    and name HA  ))
      3.900     1.900     1.900 peak   460 spectrum    1 weight  0.10000E+01 volume  0.57600E-03 ppm1      1.987 ppm2      3.384 CV     1
 OR {  460}
   (( segid "    " and resid 11   and name HG  ))
   (( segid "    " and resid 69   and name HA  ))
 ASSI {  463}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 73   and name HA  ))
      5.900     4.400     0.100 peak   463 spectrum    1 weight  0.10000E+01 volume  0.14489E-03 ppm1      0.875 ppm2      3.636 CV     1
 OR {  463}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 15   and name HA  ))
 OR {  463}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 42   and name HB2 ))
 OR {  463}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 73   and name HA  ))
 ASSI {  464}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 46   and name HA  ))
      4.600     2.600     1.400 peak   464 spectrum    1 weight  0.10000E+01 volume  0.60076E-03 ppm1      0.877 ppm2      3.390 CV     1
 OR {  464}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 8    and name HA  ))
 OR {  464}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 69   and name HA  ))
 OR {  464}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 54   and name HB1 ))
 OR {  464}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 69   and name HA  ))
 ASSI {  467}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 10   and name HA1 ))
      5.800     4.300     0.200 peak   467 spectrum    1 weight  0.10000E+01 volume  0.20720E-03 ppm1      0.872 ppm2      4.092 CV     1
 OR {  467}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 72   and name HA  ))
 OR {  467}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 72   and name HA  ))
 ASSI {  468}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 10   and name HA1 ))
      5.200     3.400     0.800 peak   468 spectrum    1 weight  0.10000E+01 volume  0.20745E-03 ppm1      0.875 ppm2      4.047 CV     1
 OR {  468}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 12   and name HA  ))
 OR {  468}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 32   and name HA  ))
 ASSI {  469}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 50   and name HA  ))
      4.100     2.100     1.900 peak   469 spectrum    1 weight  0.10000E+01 volume  0.50684E-03 ppm1      0.873 ppm2      3.961 CV     1
 OR {  469}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 43   and name HA  ))
 OR {  469}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 64   and name HA  ))
 OR {  469}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 43   and name HA  ))
 ASSI {  470}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 7    and name HA  ))
      5.400     3.700     0.600 peak   470 spectrum    1 weight  0.10000E+01 volume  0.37858E-03 ppm1      0.875 ppm2      3.881 CV     1
 OR {  470}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 10   and name HA2 ))
 ASSI {  471}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 10   and name HA2 ))
      5.400     3.600     0.600 peak   471 spectrum    1 weight  0.10000E+01 volume  0.25318E-03 ppm1      0.874 ppm2      3.832 CV     1
 OR {  471}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 59   and name HD2 ))
 OR {  471}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 14   and name HA  ))
 ASSI {  472}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 73   and name HA  ))
      3.200     1.300     1.300 peak   472 spectrum    1 weight  0.10000E+01 volume  0.28835E-02 ppm1      0.850 ppm2      3.657 CV     1
 OR {  472}
   (( segid "    " and resid 58   and name HG12))
   (( segid "    " and resid 73   and name HA  ))
 OR {  472}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 4    and name HA  ))
 ASSI {  473}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 8    and name HA  ))
      2.800     1.000     1.000 peak   473 spectrum    1 weight  0.10000E+01 volume  0.27672E-02 ppm1      0.851 ppm2      3.386 CV     1
 OR {  473}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 69   and name HA  ))
 ASSI {  474}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 13   and name HG2 ))
      4.500     2.500     1.500 peak   474 spectrum    1 weight  0.10000E+01 volume  0.50616E-03 ppm1      4.258 ppm2      2.287 CV     1
 OR {  474}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 46   and name HB  ))
 OR {  474}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 15   and name HB  ))
 OR {  474}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 13   and name HB1 ))
 OR {  474}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 45   and name HG2 ))
 OR {  474}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 43   and name HG1 ))
 OR {  474}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 43   and name HG2 ))
 OR {  474}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 26   and name HB  ))
 OR {  474}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 46   and name HB  ))
 OR {  474}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 43   and name HG2 ))
 OR {  474}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 45   and name HB1 ))
 OR {  474}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 43   and name HG1 ))
 OR {  474}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 40   and name H2A ))
 ASSI {  477}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 69   and name HB  ))
      4.300     2.300     1.700 peak   477 spectrum    1 weight  0.10000E+01 volume  0.96289E-03 ppm1      0.855 ppm2      2.249 CV     1
 OR {  477}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 40   and name H2B ))
 OR {  477}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 40   and name H2A ))
 OR {  477}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 43   and name HG2 ))
 OR {  477}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 46   and name HB  ))
 OR {  477}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 43   and name HG1 ))
 OR {  477}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 15   and name HB  ))
 OR {  477}
   (( segid "    " and resid 58   and name HG12))
   (( segid "    " and resid 40   and name H2B ))
 OR {  477}
   (( segid "    " and resid 58   and name HG12))
   (( segid "    " and resid 40   and name H2A ))
 OR {  477}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 4    and name HG1 ))
 OR {  477}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 13   and name HB1 ))
 ASSI {  480}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 11   and name HB1 ))
      2.500     0.800     0.800 peak   480 spectrum    1 weight  0.10000E+01 volume  0.30354E-02 ppm1      0.875 ppm2      2.109 CV     1
 OR {  480}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 14   and name HB  ))
 ASSI {  485}
   (( segid "    " and resid 11   and name HG  ))
   (  segid "    " and resid 72   and name HB% )
      4.600     2.600     1.400 peak   485 spectrum    1 weight  0.10000E+01 volume  0.56622E-03 ppm1      1.989 ppm2      1.613 CV     1
 OR {  485}
   (( segid "    " and resid 11   and name HG  ))
   (  segid "    " and resid 2    and name HB% )
 ASSI {  491}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 14   and name HG2%)
      3.900     1.900     1.900 peak   491 spectrum    1 weight  0.10000E+01 volume  0.18632E-02 ppm1      4.253 ppm2      1.067 CV     1
 OR {  491}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 14   and name HG12))
 OR {  491}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 8    and name HG2%)
 ASSI {  492}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 53   and name HB2 ))
      2.500     0.800     0.800 peak   492 spectrum    1 weight  0.10000E+01 volume  0.28955E-02 ppm1      0.852 ppm2      1.052 CV     1
 OR {  492}
   (  segid "    " and resid 11   and name HD1%)
   (  segid "    " and resid 8    and name HG2%)
 ASSI {  494}
   (( segid "    " and resid 11   and name HG  ))
   (  segid "    " and resid 14   and name HD1%)
      4.100     2.100     1.900 peak   494 spectrum    1 weight  0.10000E+01 volume  0.98509E-03 ppm1      1.985 ppm2      0.746 CV     1
 OR {  494}
   (( segid "    " and resid 11   and name HG  ))
   (  segid "    " and resid 26   and name HG1%)
 ASSI {  495}
   (( segid "    " and resid 11   and name HG  ))
   (  segid "    " and resid 76   and name HD1%)
      4.000     2.000     2.000 peak   495 spectrum    1 weight  0.10000E+01 volume  0.90972E-03 ppm1      1.985 ppm2      0.633 CV     1
 OR {  495}
   (( segid "    " and resid 11   and name HG  ))
   (  segid "    " and resid 40   and name H6% )
 OR {  495}
   (( segid "    " and resid 11   and name HG  ))
   (  segid "    " and resid 46   and name HG1%)
 ASSI {  496}
   (( segid "    " and resid 11   and name HG  ))
   (  segid "    " and resid 7    and name HG2%)
      2.800     1.000     1.000 peak   496 spectrum    1 weight  0.10000E+01 volume  0.17168E-02 ppm1      1.988 ppm2      0.565 CV     1
 OR {  496}
   (( segid "    " and resid 11   and name HG  ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  496}
   (( segid "    " and resid 11   and name HG  ))
   (  segid "    " and resid 76   and name HG2%)
 OR {  496}
   (( segid "    " and resid 11   and name HG  ))
   (  segid "    " and resid 7    and name HD1%)
 ASSI {  497}
   (  segid "    " and resid 11   and name HD2%)
   (  segid "    " and resid 40   and name H6% )
      2.200     0.600     0.600 peak   497 spectrum    1 weight  0.10000E+01 volume  0.65973E-02 ppm1      0.876 ppm2      0.624 CV     1
 OR {  497}
   (  segid "    " and resid 11   and name HD2%)
   (  segid "    " and resid 46   and name HG1%)
 OR {  497}
   (  segid "    " and resid 63   and name HG2%)
   (  segid "    " and resid 40   and name H6% )
 OR {  497}
   (  segid "    " and resid 11   and name HD2%)
   (  segid "    " and resid 76   and name HD1%)
 OR {  497}
   (  segid "    " and resid 63   and name HG2%)
   (  segid "    " and resid 66   and name HD2%)
 ASSI {  499}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 46   and name HG1%)
      4.100     2.100     1.900 peak   499 spectrum    1 weight  0.10000E+01 volume  0.53827E-03 ppm1      4.252 ppm2      0.632 CV     1
 OR {  499}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 40   and name H6% )
 OR {  499}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 76   and name HD1%)
 ASSI {  500}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 7    and name HG2%)
      5.700     4.000     0.300 peak   500 spectrum    1 weight  0.10000E+01 volume  0.22118E-03 ppm1      4.247 ppm2      0.554 CV     1
 OR {  500}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 58   and name HD1%)
 OR {  500}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 58   and name HD1%)
 OR {  500}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 76   and name HG2%)
 OR {  500}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 66   and name HD2%)
 OR {  500}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 7    and name HD1%)
 ASSI {  501}
   (( segid "    " and resid 58   and name HG12))
   (  segid "    " and resid 58   and name HD1%)
      2.100     0.500     0.500 peak   501 spectrum    1 weight  0.10000E+01 volume  0.11341E-01 ppm1      0.854 ppm2      0.571 CV     1
 OR {  501}
   (  segid "    " and resid 11   and name HD1%)
   (  segid "    " and resid 7    and name HG2%)
 OR {  501}
   (  segid "    " and resid 11   and name HD1%)
   (  segid "    " and resid 76   and name HD1%)
 OR {  501}
   (( segid "    " and resid 58   and name HG12))
   (  segid "    " and resid 76   and name HD1%)
 OR {  501}
   (( segid "    " and resid 58   and name HG12))
   (  segid "    " and resid 76   and name HG2%)
 OR {  501}
   (  segid "    " and resid 11   and name HD1%)
   (  segid "    " and resid 76   and name HG2%)
 OR {  501}
   (  segid "    " and resid 11   and name HD1%)
   (  segid "    " and resid 7    and name HD1%)
 ASSI {  517}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 9    and name HN  ))
      4.000     2.000     2.000 peak   517 spectrum    1 weight  0.10000E+01 volume  0.67055E-03 ppm1      1.687 ppm2      7.734 CV     1
 OR {  517}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 25   and name HN  ))
 ASSI {  523}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 23   and name HA  ))
      4.500     2.600     1.500 peak   523 spectrum    1 weight  0.10000E+01 volume  0.65201E-03 ppm1      4.056 ppm2      3.615 CV     1
 OR {  523}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 15   and name HA  ))
 ASSI {  525}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 15   and name HB  ))
      2.300     0.700     0.700 peak   525 spectrum    1 weight  0.10000E+01 volume  0.35006E-02 ppm1      4.056 ppm2      2.262 CV     1
 OR {  525}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 13   and name HG2 ))
 OR {  525}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 13   and name HB1 ))
 ASSI {  526}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
      4.000     2.000     2.000 peak   526 spectrum    1 weight  0.10000E+01 volume  0.51643E-03 ppm1      4.053 ppm2      2.119 CV     1
 OR {  526}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 14   and name HB  ))
 ASSI {  527}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 14   and name HB  ))
      4.600     2.700     1.400 peak   527 spectrum    1 weight  0.10000E+01 volume  0.42195E-03 ppm1      4.060 ppm2      2.065 CV     1
 OR {  527}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 23   and name HB  ))
 OR {  527}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 30   and name HB1 ))
 ASSI {  528}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 14   and name HG11))
      4.900     3.000     1.100 peak   528 spectrum    1 weight  0.10000E+01 volume  0.41055E-03 ppm1      4.064 ppm2      2.025 CV     1
 OR {  528}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 11   and name HG  ))
 OR {  528}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 23   and name HB  ))
 OR {  528}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 30   and name HB1 ))
 ASSI {  531}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 21   and name HB  ))
      5.400     3.700     0.600 peak   531 spectrum    1 weight  0.10000E+01 volume  0.18338E-03 ppm1      4.051 ppm2      1.575 CV     1
 OR {  531}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 19   and name HB% )
 OR {  531}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 36   and name HB2 ))
 ASSI {  532}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
      4.600     2.700     1.400 peak   532 spectrum    1 weight  0.10000E+01 volume  0.34854E-03 ppm1      4.056 ppm2      1.278 CV     1
 OR {  532}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 21   and name HG12))
 OR {  532}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 21   and name HG11))
 ASSI {  534}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 26   and name HG2%)
      2.100     0.600     0.600 peak   534 spectrum    1 weight  0.10000E+01 volume  0.69997E-02 ppm1      4.055 ppm2      0.928 CV     1
 OR {  534}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 8    and name HG1%)
 ASSI {  535}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 26   and name HG1%)
      2.500     0.800     0.800 peak   535 spectrum    1 weight  0.10000E+01 volume  0.71847E-02 ppm1      4.056 ppm2      0.737 CV     1
 OR {  535}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 36   and name HD2%)
 ASSI {  536}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 46   and name HG1%)
      4.900     3.100     1.100 peak   536 spectrum    1 weight  0.10000E+01 volume  0.59262E-03 ppm1      4.057 ppm2      0.623 CV     1
 OR {  536}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 36   and name HD1%)
 OR {  536}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 69   and name HG2%)
 ASSI {  537}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
      5.600     3.900     0.400 peak   537 spectrum    1 weight  0.10000E+01 volume  0.18336E-03 ppm1      4.062 ppm2      2.737 CV     1
 OR {  537}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 53   and name HD2 ))
 ASSI {  540}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 26   and name HB  ))
      2.200     0.600     0.600 peak   540 spectrum    1 weight  0.10000E+01 volume  0.72098E-02 ppm1      1.688 ppm2      2.335 CV     1
 OR {  540}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 13   and name HB1 ))
 ASSI {  541}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 15   and name HB  ))
      4.500     2.500     1.500 peak   541 spectrum    1 weight  0.10000E+01 volume  0.64187E-03 ppm1      1.688 ppm2      2.222 CV     1
 OR {  541}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 13   and name HB2 ))
 ASSI {  542}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 11   and name HB1 ))
      4.100     2.100     1.900 peak   542 spectrum    1 weight  0.10000E+01 volume  0.13842E-02 ppm1      1.687 ppm2      2.100 CV     1
 OR {  542}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 14   and name HB  ))
 OR {  542}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 30   and name HB1 ))
 ASSI {  543}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 23   and name HB  ))
      3.000     1.100     1.100 peak   543 spectrum    1 weight  0.10000E+01 volume  0.36508E-02 ppm1      1.688 ppm2      2.042 CV     1
 OR {  543}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 24   and name HB2 ))
 OR {  543}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 30   and name HB1 ))
 ASSI {  544}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 11   and name HG  ))
      4.300     2.300     1.700 peak   544 spectrum    1 weight  0.10000E+01 volume  0.10353E-02 ppm1      1.686 ppm2      1.970 CV     1
 OR {  544}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 14   and name HG11))
 OR {  544}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 24   and name HB2 ))
 OR {  544}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 22   and name HG2 ))
 ASSI {  546}
   (  segid "    " and resid 12   and name HB% )
   (  segid "    " and resid 26   and name HG2%)
      2.300     0.700     0.700 peak   546 spectrum    1 weight  0.10000E+01 volume  0.81832E-02 ppm1      1.685 ppm2      0.954 CV     1
 OR {  546}
   (  segid "    " and resid 12   and name HB% )
   (  segid "    " and resid 23   and name HG1%)
 ASSI {  547}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 21   and name HG12))
      6.000     4.700     0.000 peak   547 spectrum    1 weight  0.10000E+01 volume  0.16407E-03 ppm1      1.687 ppm2      1.333 CV     1
 OR {  547}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 21   and name HG11))
 OR {  547}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 27   and name HG1 ))
 OR {  547}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 27   and name HG2 ))
 OR {  547}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 30   and name HB2 ))
 ASSI {  551}
   (  segid "    " and resid 12   and name HB% )
   (  segid "    " and resid 69   and name HG2%)
      6.000     4.700     0.000 peak   551 spectrum    1 weight  0.10000E+01 volume  0.26985E-03 ppm1      1.689 ppm2      0.628 CV     1
 OR {  551}
   (  segid "    " and resid 12   and name HB% )
   (  segid "    " and resid 36   and name HD1%)
 OR {  551}
   (  segid "    " and resid 12   and name HB% )
   (  segid "    " and resid 46   and name HG1%)
 ASSI {  554}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      4.500     2.600     1.500 peak   554 spectrum    1 weight  0.10000E+01 volume  0.31875E-03 ppm1      3.949 ppm2      8.808 CV     1
 OR {  554}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
 ASSI {  555}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      3.300     1.300     1.300 peak   555 spectrum    1 weight  0.10000E+01 volume  0.16296E-02 ppm1      3.944 ppm2      8.691 CV     1
 OR {  555}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
 ASSI {  556}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      3.200     1.300     1.300 peak   556 spectrum    1 weight  0.10000E+01 volume  0.15178E-02 ppm1      3.947 ppm2      8.179 CV     1
 OR {  556}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI {  557}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 16   and name HD22))
      4.700     2.800     1.300 peak   557 spectrum    1 weight  0.10000E+01 volume  0.14601E-03 ppm1      3.947 ppm2      8.087 CV     1
 OR {  557}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 16   and name HD22))
 ASSI {  564}
   (( segid "    " and resid 13   and name HG1 ))
   (( segid "    " and resid 10   and name HA1 ))
      5.300     3.500     0.700 peak   564 spectrum    1 weight  0.10000E+01 volume  0.43755E-03 ppm1      2.616 ppm2      4.062 CV     1
 OR {  564}
   (( segid "    " and resid 13   and name HG1 ))
   (( segid "    " and resid 12   and name HA  ))
 ASSI {  567}
   (( segid "    " and resid 13   and name HG2 ))
   (( segid "    " and resid 13   and name HA  ))
      3.400     1.400     1.400 peak   567 spectrum    1 weight  0.10000E+01 volume  0.32068E-02 ppm1      2.306 ppm2      3.943 CV     1
 OR {  567}
   (( segid "    " and resid 45   and name HG2 ))
   (( segid "    " and resid 42   and name HB1 ))
 ASSI {  568}
   (( segid "    " and resid 13   and name HG2 ))
   (( segid "    " and resid 10   and name HA2 ))
      3.500     1.500     1.500 peak   568 spectrum    1 weight  0.10000E+01 volume  0.32653E-03 ppm1      2.307 ppm2      3.833 CV     1
 OR {  568}
   (( segid "    " and resid 13   and name HG2 ))
   (( segid "    " and resid 14   and name HA  ))
 ASSI {  571}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 23   and name HA  ))
      4.900     3.000     1.100 peak   571 spectrum    1 weight  0.10000E+01 volume  0.26580E-03 ppm1      3.940 ppm2      3.602 CV     1
 OR {  571}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 15   and name HA  ))
 OR {  571}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 15   and name HA  ))
 ASSI {  572}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 16   and name HB1 ))
      3.500     1.500     1.500 peak   572 spectrum    1 weight  0.10000E+01 volume  0.21470E-02 ppm1      3.945 ppm2      3.105 CV     1
 OR {  572}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 16   and name HB1 ))
 ASSI {  573}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
      2.600     0.900     0.900 peak   573 spectrum    1 weight  0.10000E+01 volume  0.43668E-02 ppm1      3.946 ppm2      2.750 CV     1
 OR {  573}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
 ASSI {  575}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 12   and name HB% )
      4.200     2.200     1.800 peak   575 spectrum    1 weight  0.10000E+01 volume  0.61190E-03 ppm1      3.941 ppm2      1.689 CV     1
 OR {  575}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 18   and name HG11))
 ASSI {  576}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 23   and name HG2%)
      2.800     1.000     1.000 peak   576 spectrum    1 weight  0.10000E+01 volume  0.45676E-02 ppm1      3.943 ppm2      0.983 CV     1
 OR {  576}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 23   and name HG1%)
 OR {  576}
   (( segid "    " and resid 17   and name HA  ))
   (  segid "    " and resid 18   and name HG2%)
 OR {  576}
   (( segid "    " and resid 17   and name HA  ))
   (  segid "    " and resid 15   and name HG1%)
 OR {  576}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 15   and name HG1%)
 OR {  576}
   (( segid "    " and resid 17   and name HA  ))
   (  segid "    " and resid 46   and name HG2%)
 ASSI {  577}
   (( segid "    " and resid 13   and name HG1 ))
   (  segid "    " and resid 23   and name HG2%)
      4.800     2.800     1.200 peak   577 spectrum    1 weight  0.10000E+01 volume  0.72043E-03 ppm1      2.619 ppm2      0.983 CV     1
 OR {  577}
   (( segid "    " and resid 13   and name HG1 ))
   (  segid "    " and resid 46   and name HG2%)
 OR {  577}
   (( segid "    " and resid 13   and name HG1 ))
   (  segid "    " and resid 15   and name HG1%)
 OR {  577}
   (( segid "    " and resid 13   and name HG1 ))
   (  segid "    " and resid 23   and name HG1%)
 OR {  577}
   (( segid "    " and resid 13   and name HG1 ))
   (  segid "    " and resid 21   and name HG2%)
 ASSI {  580}
   (( segid "    " and resid 13   and name HG1 ))
   (  segid "    " and resid 49   and name HB% )
      5.000     3.100     1.000 peak   580 spectrum    1 weight  0.10000E+01 volume  0.50712E-03 ppm1      2.620 ppm2      1.533 CV     1
 OR {  580}
   (( segid "    " and resid 13   and name HG1 ))
   (  segid "    " and resid 50   and name HB% )
 ASSI {  586}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      5.400     3.700     0.600 peak   586 spectrum    1 weight  0.10000E+01 volume  0.27001E-03 ppm1      3.822 ppm2      7.929 CV     1
 OR {  586}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
 ASSI {  591}
   (( segid "    " and resid 14   and name HB  ))
   (( segid "    " and resid 46   and name HN  ))
      5.500     3.800     0.500 peak   591 spectrum    1 weight  0.10000E+01 volume  0.30994E-03 ppm1      2.104 ppm2      8.060 CV     1
 OR {  591}
   (( segid "    " and resid 14   and name HB  ))
   (( segid "    " and resid 16   and name HD22))
 ASSI {  592}
   (( segid "    " and resid 14   and name HB  ))
   (( segid "    " and resid 13   and name HN  ))
      5.600     3.900     0.400 peak   592 spectrum    1 weight  0.10000E+01 volume  0.20994E-03 ppm1      2.100 ppm2      7.941 CV     1
 OR {  592}
   (( segid "    " and resid 14   and name HB  ))
   (( segid "    " and resid 49   and name HN  ))
 ASSI {  617}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 45   and name HA  ))
      5.300     3.500     0.700 peak   617 spectrum    1 weight  0.10000E+01 volume  0.28837E-03 ppm1      1.067 ppm2      4.060 CV     1
 OR {  617}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 12   and name HA  ))
 OR {  617}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 10   and name HA1 ))
 ASSI {  620}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 11   and name HA  ))
      2.400     0.700     0.700 peak   620 spectrum    1 weight  0.10000E+01 volume  0.50657E-02 ppm1      0.745 ppm2      4.250 CV     1
 OR {  620}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 49   and name HA  ))
 ASSI {  621}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 10   and name HA1 ))
      4.600     2.600     1.400 peak   621 spectrum    1 weight  0.10000E+01 volume  0.34502E-03 ppm1      0.752 ppm2      4.072 CV     1
 OR {  621}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 12   and name HA  ))
 OR {  621}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 45   and name HA  ))
 ASSI {  627}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 17   and name HG2 ))
      3.300     1.300     1.300 peak   627 spectrum    1 weight  0.10000E+01 volume  0.29746E-02 ppm1      3.818 ppm2      2.264 CV     1
 OR {  627}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 13   and name HB1 ))
 OR {  627}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 17   and name HB1 ))
 OR {  627}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 13   and name HG2 ))
 OR {  627}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 13   and name HB2 ))
 OR {  627}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 46   and name HB  ))
 ASSI {  628}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB  ))
      2.600     0.800     0.800 peak   628 spectrum    1 weight  0.10000E+01 volume  0.44387E-02 ppm1      3.819 ppm2      2.114 CV     1
 OR {  628}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
 ASSI {  632}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 46   and name HB  ))
      4.400     2.400     1.600 peak   632 spectrum    1 weight  0.10000E+01 volume  0.95745E-03 ppm1      1.068 ppm2      2.275 CV     1
 OR {  632}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 45   and name HB1 ))
 OR {  632}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 17   and name HG2 ))
 OR {  632}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 17   and name HB1 ))
 OR {  632}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 15   and name HB  ))
 OR {  632}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 13   and name HG2 ))
 ASSI {  633}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 14   and name HB  ))
      2.200     0.600     0.600 peak   633 spectrum    1 weight  0.10000E+01 volume  0.53822E-02 ppm1      1.070 ppm2      2.101 CV     1
 OR {  633}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 17   and name HB2 ))
 ASSI {  639}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 14   and name HB  ))
      2.300     0.700     0.700 peak   639 spectrum    1 weight  0.10000E+01 volume  0.65287E-02 ppm1      0.745 ppm2      2.102 CV     1
 OR {  639}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 11   and name HB1 ))
 ASSI {  643}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 18   and name HG11))
      3.900     1.900     1.900 peak   643 spectrum    1 weight  0.10000E+01 volume  0.77017E-03 ppm1      3.818 ppm2      1.640 CV     1
 OR {  643}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 18   and name HB  ))
 OR {  643}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 12   and name HB% )
 ASSI {  644}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 49   and name HB% )
      4.500     2.500     1.500 peak   644 spectrum    1 weight  0.10000E+01 volume  0.12140E-02 ppm1      3.819 ppm2      1.527 CV     1
 OR {  644}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 50   and name HB% )
 ASSI {  645}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 18   and name HG12))
      5.100     3.200     0.900 peak   645 spectrum    1 weight  0.10000E+01 volume  0.37935E-03 ppm1      3.817 ppm2      1.325 CV     1
 OR {  645}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI {  650}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 14   and name HD1%)
      3.700     1.700     1.700 peak   650 spectrum    1 weight  0.10000E+01 volume  0.25988E-02 ppm1      3.819 ppm2      0.750 CV     1
 OR {  650}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 18   and name HD1%)
 ASSI {  651}
   (( segid "    " and resid 14   and name HB  ))
   (  segid "    " and resid 49   and name HB% )
      6.000     4.500     0.000 peak   651 spectrum    1 weight  0.10000E+01 volume  0.12256E-03 ppm1      2.106 ppm2      1.541 CV     1
 OR {  651}
   (( segid "    " and resid 14   and name HB  ))
   (  segid "    " and resid 50   and name HB% )
 ASSI {  656}
   (( segid "    " and resid 14   and name HB  ))
   (  segid "    " and resid 14   and name HD1%)
      2.400     0.700     0.700 peak   656 spectrum    1 weight  0.10000E+01 volume  0.45530E-02 ppm1      2.103 ppm2      0.744 CV     1
 OR {  656}
   (( segid "    " and resid 14   and name HB  ))
   (  segid "    " and resid 18   and name HD1%)
 ASSI {  658}
   (( segid "    " and resid 14   and name HG11))
   (  segid "    " and resid 49   and name HB% )
      4.000     2.000     2.000 peak   658 spectrum    1 weight  0.10000E+01 volume  0.16499E-02 ppm1      1.990 ppm2      1.531 CV     1
 OR {  658}
   (( segid "    " and resid 5    and name HB2 ))
   (  segid "    " and resid 9    and name HB% )
 OR {  658}
   (( segid "    " and resid 14   and name HG11))
   (  segid "    " and resid 50   and name HB% )
 ASSI {  660}
   (( segid "    " and resid 14   and name HG12))
   (  segid "    " and resid 49   and name HB% )
      3.000     1.100     1.100 peak   660 spectrum    1 weight  0.10000E+01 volume  0.21754E-02 ppm1      1.054 ppm2      1.528 CV     1
 OR {  660}
   (( segid "    " and resid 14   and name HG12))
   (  segid "    " and resid 50   and name HB% )
 ASSI {  663}
   (  segid "    " and resid 14   and name HG2%)
   (  segid "    " and resid 14   and name HD1%)
      2.100     0.600     0.600 peak   663 spectrum    1 weight  0.10000E+01 volume  0.11407E-01 ppm1      1.069 ppm2      0.759 CV     1
 OR {  663}
   (  segid "    " and resid 14   and name HG2%)
   (  segid "    " and resid 18   and name HD1%)
 ASSI {  666}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 49   and name HB% )
      2.100     0.600     0.600 peak   666 spectrum    1 weight  0.10000E+01 volume  0.95691E-02 ppm1      0.745 ppm2      1.519 CV     1
 OR {  666}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 50   and name HB% )
 ASSI {  671}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      4.000     2.000     2.000 peak   671 spectrum    1 weight  0.10000E+01 volume  0.40124E-03 ppm1      3.598 ppm2      8.345 CV     1
 OR {  671}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 42   and name HN  ))
 ASSI {  672}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      3.100     1.200     1.200 peak   672 spectrum    1 weight  0.10000E+01 volume  0.16868E-02 ppm1      3.600 ppm2      8.201 CV     1
 OR {  672}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
 ASSI {  673}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 12   and name HN  ))
      4.900     3.100     1.100 peak   673 spectrum    1 weight  0.10000E+01 volume  0.35120E-03 ppm1      2.258 ppm2      8.922 CV     1
 OR {  673}
   (( segid "    " and resid 43   and name HG1 ))
   (( segid "    " and resid 40   and name HN  ))
 OR {  673}
   (( segid "    " and resid 43   and name HG2 ))
   (( segid "    " and resid 40   and name HN  ))
 ASSI {  681}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 16   and name HD22))
      5.100     3.300     0.900 peak   681 spectrum    1 weight  0.10000E+01 volume  0.38048E-03 ppm1      1.180 ppm2      8.074 CV     1
 OR {  681}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 46   and name HN  ))
 ASSI {  682}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 26   and name HN  ))
      5.900     4.300     0.100 peak   682 spectrum    1 weight  0.10000E+01 volume  0.29105E-03 ppm1      1.178 ppm2      7.497 CV     1
 OR {  682}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 54   and name HZ  ))
 OR {  682}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 36   and name HN  ))
 OR {  682}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 30   and name HN  ))
 ASSI {  686}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 32   and name HZ  ))
      3.600     1.600     1.600 peak   686 spectrum    1 weight  0.10000E+01 volume  0.93854E-03 ppm1      1.178 ppm2      6.861 CV     1
 OR {  686}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 16   and name HD21))
 ASSI {  689}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 19   and name HN  ))
      4.500     2.500     1.500 peak   689 spectrum    1 weight  0.10000E+01 volume  0.22195E-03 ppm1      0.999 ppm2      8.527 CV     1
 OR {  689}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 19   and name HN  ))
 ASSI {  690}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 43   and name HN  ))
      4.000     2.000     2.000 peak   690 spectrum    1 weight  0.10000E+01 volume  0.46546E-03 ppm1      0.990 ppm2      8.371 CV     1
 OR {  690}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 17   and name HN  ))
 OR {  690}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 43   and name HN  ))
 OR {  690}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 42   and name HN  ))
 ASSI {  695}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 26   and name HN  ))
      6.000     4.700     0.000 peak   695 spectrum    1 weight  0.10000E+01 volume  0.16612E-03 ppm1      1.007 ppm2      7.489 CV     1
 OR {  695}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 36   and name HN  ))
 OR {  695}
   (  segid "    " and resid 46   and name HG2%)
   (  segid "    " and resid 54   and name HD% )
 ASSI {  697}
   (  segid "    " and resid 15   and name HG1%)
   (  segid "    " and resid 32   and name HE% )
      2.800     1.000     1.000 peak   697 spectrum    1 weight  0.10000E+01 volume  0.15519E-02 ppm1      0.994 ppm2      6.989 CV     1
 OR {  697}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 45   and name HN  ))
 ASSI {  699}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 16   and name HD21))
      4.500     2.500     1.500 peak   699 spectrum    1 weight  0.10000E+01 volume  0.33129E-03 ppm1      1.005 ppm2      6.842 CV     1
 OR {  699}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 32   and name HZ  ))
 ASSI {  702}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 11   and name HA  ))
      3.500     1.600     1.600 peak   702 spectrum    1 weight  0.10000E+01 volume  0.85975E-03 ppm1      1.179 ppm2      4.255 CV     1
 OR {  702}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 42   and name HA  ))
 ASSI {  704}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 43   and name HA  ))
      4.300     2.400     1.700 peak   704 spectrum    1 weight  0.10000E+01 volume  0.66484E-03 ppm1      1.180 ppm2      3.953 CV     1
 OR {  704}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 42   and name HB1 ))
 OR {  704}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 13   and name HA  ))
 OR {  704}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 38   and name HA  ))
 OR {  704}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 20   and name HA2 ))
 OR {  704}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 18   and name HA  ))
 ASSI {  705}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 14   and name HA  ))
      5.900     4.300     0.100 peak   705 spectrum    1 weight  0.10000E+01 volume  0.14082E-03 ppm1      1.179 ppm2      3.856 CV     1
 OR {  705}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 10   and name HA2 ))
 ASSI {  707}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 42   and name HB2 ))
      5.300     3.500     0.700 peak   707 spectrum    1 weight  0.10000E+01 volume  0.10954E-03 ppm1      1.177 ppm2      3.709 CV     1
 OR {  707}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 22   and name HD2 ))
 ASSI {  709}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 46   and name HA  ))
      6.000     5.100     0.000 peak   709 spectrum    1 weight  0.10000E+01 volume  0.61720E-03 ppm1      1.181 ppm2      3.412 CV     1
 OR {  709}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 69   and name HA  ))
 ASSI {  714}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 42   and name HA  ))
      4.100     2.100     1.900 peak   714 spectrum    1 weight  0.10000E+01 volume  0.59491E-03 ppm1      1.005 ppm2      4.327 CV     1
 OR {  714}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 21   and name HA  ))
 OR {  714}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 42   and name HA  ))
 ASSI {  716}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 42   and name HA  ))
      4.500     2.600     1.500 peak   716 spectrum    1 weight  0.10000E+01 volume  0.34088E-03 ppm1      1.005 ppm2      4.241 CV     1
 OR {  716}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 11   and name HA  ))
 OR {  716}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 42   and name HA  ))
 OR {  716}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 49   and name HA  ))
 ASSI {  718}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 12   and name HA  ))
      4.000     2.000     2.000 peak   718 spectrum    1 weight  0.10000E+01 volume  0.13343E-02 ppm1      1.004 ppm2      4.061 CV     1
 OR {  718}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 45   and name HA  ))
 OR {  718}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 20   and name HA1 ))
 OR {  718}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 22   and name HD1 ))
 ASSI {  720}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 32   and name HB1 ))
      5.700     4.000     0.300 peak   720 spectrum    1 weight  0.10000E+01 volume  0.25064E-03 ppm1      1.181 ppm2      3.124 CV     1
 OR {  720}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 32   and name HB2 ))
 OR {  720}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 16   and name HB1 ))
 ASSI {  723}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 32   and name HB1 ))
      4.900     3.000     1.100 peak   723 spectrum    1 weight  0.10000E+01 volume  0.35977E-03 ppm1      1.002 ppm2      3.140 CV     1
 OR {  723}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 16   and name HB1 ))
 OR {  723}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 32   and name HB2 ))
 OR {  723}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 40   and name H42A))
 OR {  723}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 39   and name HB1 ))
 ASSI {  725}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HB  ))
      2.700     0.900     0.900 peak   725 spectrum    1 weight  0.10000E+01 volume  0.37822E-02 ppm1      3.598 ppm2      2.250 CV     1
 OR {  725}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 46   and name HB  ))
 OR {  725}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 17   and name HB1 ))
 OR {  725}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 45   and name HB1 ))
 ASSI {  726}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 14   and name HB  ))
      4.100     2.100     1.900 peak   726 spectrum    1 weight  0.10000E+01 volume  0.58655E-03 ppm1      3.598 ppm2      2.108 CV     1
 OR {  726}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
 OR {  726}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
 OR {  726}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 45   and name HB2 ))
 ASSI {  727}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 18   and name HB  ))
      2.800     1.000     1.000 peak   727 spectrum    1 weight  0.10000E+01 volume  0.36297E-02 ppm1      3.599 ppm2      1.636 CV     1
 OR {  727}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 18   and name HG11))
 OR {  727}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 21   and name HB  ))
 ASSI {  728}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 19   and name HB% )
      3.500     1.500     1.500 peak   728 spectrum    1 weight  0.10000E+01 volume  0.14479E-02 ppm1      3.598 ppm2      1.538 CV     1
 OR {  728}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 49   and name HB% )
 ASSI {  729}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 21   and name HG11))
      4.700     2.700     1.300 peak   729 spectrum    1 weight  0.10000E+01 volume  0.74364E-03 ppm1      3.599 ppm2      1.298 CV     1
 OR {  729}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 18   and name HG12))
 OR {  729}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 21   and name HG12))
 ASSI {  731}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 15   and name HG1%)
      2.100     0.600     0.600 peak   731 spectrum    1 weight  0.10000E+01 volume  0.91164E-02 ppm1      3.598 ppm2      0.993 CV     1
 OR {  731}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 46   and name HG2%)
 ASSI {  732}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 18   and name HD1%)
      3.700     1.700     1.700 peak   732 spectrum    1 weight  0.10000E+01 volume  0.98957E-03 ppm1      3.597 ppm2      0.779 CV     1
 OR {  732}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 14   and name HD1%)
 OR {  732}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 26   and name HG1%)
 ASSI {  734}
   (( segid "    " and resid 15   and name HB  ))
   (  segid "    " and resid 15   and name HG2%)
      2.200     0.600     0.600 peak   734 spectrum    1 weight  0.10000E+01 volume  0.77803E-02 ppm1      2.249 ppm2      1.169 CV     1
 OR {  734}
   (( segid "    " and resid 43   and name HG1 ))
   (( segid "    " and resid 40   and name H3B ))
 OR {  734}
   (( segid "    " and resid 43   and name HG2 ))
   (( segid "    " and resid 40   and name H3B ))
 OR {  734}
   (( segid "    " and resid 46   and name HB  ))
   (  segid "    " and resid 15   and name HG2%)
 OR {  734}
   (( segid "    " and resid 43   and name HG1 ))
   (( segid "    " and resid 40   and name H3A ))
 OR {  734}
   (( segid "    " and resid 43   and name HG2 ))
   (( segid "    " and resid 40   and name H3A ))
 ASSI {  735}
   (( segid "    " and resid 15   and name HB  ))
   (  segid "    " and resid 15   and name HG1%)
      2.100     0.600     0.600 peak   735 spectrum    1 weight  0.10000E+01 volume  0.11502E-01 ppm1      2.242 ppm2      0.991 CV     1
 OR {  735}
   (( segid "    " and resid 44   and name HB  ))
   (  segid "    " and resid 44   and name HG1%)
 OR {  735}
   (( segid "    " and resid 43   and name HG2 ))
   (( segid "    " and resid 40   and name H5B ))
 OR {  735}
   (( segid "    " and resid 43   and name HG1 ))
   (( segid "    " and resid 40   and name H5B ))
 OR {  735}
   (( segid "    " and resid 43   and name HG2 ))
   (( segid "    " and resid 40   and name H5A ))
 OR {  735}
   (( segid "    " and resid 43   and name HG1 ))
   (( segid "    " and resid 40   and name H5A ))
 OR {  735}
   (( segid "    " and resid 15   and name HB  ))
   (  segid "    " and resid 21   and name HG2%)
 OR {  735}
   (( segid "    " and resid 47   and name HB  ))
   (  segid "    " and resid 44   and name HG1%)
 OR {  735}
   (( segid "    " and resid 15   and name HB  ))
   (  segid "    " and resid 46   and name HG2%)
 OR {  735}
   (( segid "    " and resid 43   and name HG1 ))
   (( segid "    " and resid 66   and name HB2 ))
 OR {  735}
   (( segid "    " and resid 47   and name HB  ))
   (  segid "    " and resid 48   and name HG1%)
 OR {  735}
   (( segid "    " and resid 43   and name HG2 ))
   (( segid "    " and resid 66   and name HB2 ))
 OR {  735}
   (( segid "    " and resid 43   and name HG1 ))
   (  segid "    " and resid 46   and name HG2%)
 ASSI {  736}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 15   and name HB  ))
      2.000     0.500     0.500 peak   736 spectrum    1 weight  0.10000E+01 volume  0.91264E-02 ppm1      1.178 ppm2      2.246 CV     1
 OR {  736}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 69   and name HB  ))
 ASSI {  737}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 11   and name HB1 ))
      2.900     1.100     1.100 peak   737 spectrum    1 weight  0.10000E+01 volume  0.16732E-02 ppm1      1.178 ppm2      2.098 CV     1
 OR {  737}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 14   and name HB  ))
 ASSI {  738}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 14   and name HG11))
      5.000     3.100     1.000 peak   738 spectrum    1 weight  0.10000E+01 volume  0.41132E-03 ppm1      1.175 ppm2      2.018 CV     1
 OR {  738}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 11   and name HG  ))
 OR {  738}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 43   and name HB1 ))
 OR {  738}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 30   and name HB1 ))
 ASSI {  739}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 14   and name HG11))
      4.600     2.700     1.400 peak   739 spectrum    1 weight  0.10000E+01 volume  0.58641E-03 ppm1      1.173 ppm2      1.983 CV     1
 OR {  739}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 11   and name HG  ))
 OR {  739}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 43   and name HB1 ))
 OR {  739}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 43   and name HB2 ))
 ASSI {  740}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 38   and name HB  ))
      4.400     2.400     1.600 peak   740 spectrum    1 weight  0.10000E+01 volume  0.51424E-03 ppm1      1.179 ppm2      1.933 CV     1
 OR {  740}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 43   and name HB2 ))
 ASSI {  743}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 21   and name HB  ))
      3.500     1.500     1.500 peak   743 spectrum    1 weight  0.10000E+01 volume  0.27669E-02 ppm1      1.178 ppm2      1.614 CV     1
 OR {  743}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 18   and name HB  ))
 OR {  743}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 18   and name HG11))
 OR {  743}
   (  segid "    " and resid 15   and name HG2%)
   (  segid "    " and resid 72   and name HB% )
 ASSI {  744}
   (  segid "    " and resid 15   and name HG2%)
   (  segid "    " and resid 19   and name HB% )
      3.800     1.800     1.800 peak   744 spectrum    1 weight  0.10000E+01 volume  0.27277E-02 ppm1      1.178 ppm2      1.550 CV     1
 OR {  744}
   (  segid "    " and resid 15   and name HG2%)
   (  segid "    " and resid 49   and name HB% )
 OR {  744}
   (  segid "    " and resid 15   and name HG2%)
   (  segid "    " and resid 72   and name HB% )
 ASSI {  747}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 21   and name HB  ))
      2.200     0.600     0.600 peak   747 spectrum    1 weight  0.10000E+01 volume  0.91913E-02 ppm1      1.004 ppm2      1.616 CV     1
 OR {  747}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 18   and name HB  ))
 OR {  747}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 18   and name HG11))
 OR {  747}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 18   and name HB  ))
 ASSI {  749}
   (  segid "    " and resid 15   and name HG2%)
   (  segid "    " and resid 15   and name HG1%)
      2.100     0.600     0.600 peak   749 spectrum    1 weight  0.10000E+01 volume  0.11491E-01 ppm1      1.178 ppm2      1.049 CV     1
 OR {  749}
   (  segid "    " and resid 15   and name HG2%)
   (  segid "    " and resid 14   and name HG2%)
 OR {  749}
   (  segid "    " and resid 15   and name HG2%)
   (  segid "    " and resid 21   and name HG2%)
 ASSI {  751}
   (  segid "    " and resid 15   and name HG2%)
   (  segid "    " and resid 26   and name HG2%)
      2.600     0.800     0.800 peak   751 spectrum    1 weight  0.10000E+01 volume  0.81508E-02 ppm1      1.178 ppm2      0.912 CV     1
 OR {  751}
   (  segid "    " and resid 15   and name HG2%)
   (  segid "    " and resid 11   and name HD2%)
 OR {  751}
   (  segid "    " and resid 15   and name HG2%)
   (  segid "    " and resid 38   and name HG1%)
 OR {  751}
   (  segid "    " and resid 15   and name HG2%)
   (  segid "    " and resid 38   and name HG2%)
 OR {  751}
   (  segid "    " and resid 15   and name HG2%)
   (  segid "    " and resid 8    and name HG1%)
 OR {  751}
   (  segid "    " and resid 15   and name HG2%)
   (  segid "    " and resid 18   and name HG2%)
 ASSI {  752}
   (  segid "    " and resid 15   and name HG2%)
   (  segid "    " and resid 11   and name HD2%)
      3.200     1.200     1.200 peak   752 spectrum    1 weight  0.10000E+01 volume  0.42007E-02 ppm1      1.176 ppm2      0.853 CV     1
 OR {  752}
   (  segid "    " and resid 15   and name HG2%)
   (  segid "    " and resid 11   and name HD1%)
 OR {  752}
   (  segid "    " and resid 15   and name HG2%)
   (  segid "    " and resid 21   and name HD1%)
 ASSI {  753}
   (  segid "    " and resid 15   and name HG2%)
   (  segid "    " and resid 26   and name HG1%)
      3.100     1.200     1.200 peak   753 spectrum    1 weight  0.10000E+01 volume  0.46189E-02 ppm1      1.179 ppm2      0.749 CV     1
 OR {  753}
   (  segid "    " and resid 15   and name HG2%)
   (  segid "    " and resid 14   and name HD1%)
 OR {  753}
   (  segid "    " and resid 15   and name HG2%)
   (  segid "    " and resid 18   and name HD1%)
 ASSI {  754}
   (  segid "    " and resid 15   and name HG2%)
   (  segid "    " and resid 46   and name HG1%)
      2.500     0.800     0.800 peak   754 spectrum    1 weight  0.10000E+01 volume  0.50954E-02 ppm1      1.179 ppm2      0.667 CV     1
 OR {  754}
   (  segid "    " and resid 15   and name HG2%)
   (  segid "    " and resid 69   and name HG2%)
 ASSI {  762}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 23   and name HN  ))
      3.900     1.900     1.900 peak   762 spectrum    1 weight  0.10000E+01 volume  0.69289E-03 ppm1      3.102 ppm2      8.511 CV     1
 OR {  762}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 19   and name HN  ))
 OR {  762}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 76   and name HN  ))
 ASSI {  763}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
      4.500     2.600     1.500 peak   763 spectrum    1 weight  0.10000E+01 volume  0.55028E-03 ppm1      2.750 ppm2      8.514 CV     1
 OR {  763}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 19   and name HN  ))
 ASSI {  764}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 71   and name HN  ))
      3.100     1.200     1.200 peak   764 spectrum    1 weight  0.10000E+01 volume  0.24588E-02 ppm1      3.109 ppm2      8.359 CV     1
 OR {  764}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 17   and name HN  ))
 ASSI {  766}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 18   and name HN  ))
      5.300     3.500     0.700 peak   766 spectrum    1 weight  0.10000E+01 volume  0.23451E-03 ppm1      2.758 ppm2      8.250 CV     1
 OR {  766}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 32   and name HN  ))
 ASSI {  767}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 18   and name HN  ))
      4.800     2.900     1.200 peak   767 spectrum    1 weight  0.10000E+01 volume  0.32768E-03 ppm1      2.753 ppm2      8.181 CV     1
 OR {  767}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 32   and name HN  ))
 OR {  767}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 69   and name HN  ))
 ASSI {  768}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HD22))
      3.400     1.400     1.400 peak   768 spectrum    1 weight  0.10000E+01 volume  0.24087E-02 ppm1      3.109 ppm2      8.069 CV     1
 OR {  768}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 74   and name HN  ))
 ASSI {  782}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      4.400     2.400     1.600 peak   782 spectrum    1 weight  0.10000E+01 volume  0.44514E-03 ppm1      4.666 ppm2      8.517 CV     1
 OR {  782}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
 ASSI {  786}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 22   and name HA  ))
      5.500     3.700     0.500 peak   786 spectrum    1 weight  0.10000E+01 volume  0.22510E-03 ppm1      2.749 ppm2      4.298 CV     1
 OR {  786}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 21   and name HA  ))
 ASSI {  788}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 20   and name HA2 ))
      3.400     1.400     1.400 peak   788 spectrum    1 weight  0.10000E+01 volume  0.21903E-02 ppm1      3.109 ppm2      3.944 CV     1
 OR {  788}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 17   and name HA  ))
 OR {  788}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 13   and name HA  ))
 ASSI {  789}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 13   and name HA  ))
      2.800     1.000     1.000 peak   789 spectrum    1 weight  0.10000E+01 volume  0.36812E-02 ppm1      2.753 ppm2      3.941 CV     1
 OR {  789}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 17   and name HA  ))
 OR {  789}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 20   and name HA2 ))
 ASSI {  790}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 23   and name HA  ))
      4.300     2.300     1.700 peak   790 spectrum    1 weight  0.10000E+01 volume  0.97212E-03 ppm1      3.107 ppm2      3.609 CV     1
 OR {  790}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 15   and name HA  ))
 OR {  790}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 28   and name HA  ))
 ASSI {  791}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 23   and name HA  ))
      4.500     2.500     1.500 peak   791 spectrum    1 weight  0.10000E+01 volume  0.60313E-03 ppm1      2.750 ppm2      3.608 CV     1
 OR {  791}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 15   and name HA  ))
 ASSI {  798}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 40   and name H2B ))
      4.400     2.500     1.600 peak   798 spectrum    1 weight  0.10000E+01 volume  0.65995E-03 ppm1      3.108 ppm2      2.271 CV     1
 OR {  798}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 15   and name HB  ))
 OR {  798}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 17   and name HG2 ))
 OR {  798}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 17   and name HB1 ))
 OR {  798}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 69   and name HB  ))
 ASSI {  799}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 17   and name HG2 ))
      3.400     1.400     1.400 peak   799 spectrum    1 weight  0.10000E+01 volume  0.10953E-02 ppm1      2.756 ppm2      2.270 CV     1
 OR {  799}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 15   and name HB  ))
 OR {  799}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 17   and name HB1 ))
 ASSI {  801}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 66   and name HB2 ))
      3.100     1.200     1.200 peak   801 spectrum    1 weight  0.10000E+01 volume  0.36839E-02 ppm1      3.109 ppm2      0.987 CV     1
 OR {  801}
   (( segid "    " and resid 16   and name HB1 ))
   (  segid "    " and resid 23   and name HG2%)
 OR {  801}
   (( segid "    " and resid 16   and name HB1 ))
   (  segid "    " and resid 23   and name HG1%)
 OR {  801}
   (( segid "    " and resid 16   and name HB1 ))
   (  segid "    " and resid 15   and name HG1%)
 OR {  801}
   (( segid "    " and resid 16   and name HB1 ))
   (  segid "    " and resid 21   and name HG2%)
 ASSI {  802}
   (( segid "    " and resid 16   and name HB2 ))
   (  segid "    " and resid 23   and name HG2%)
      3.400     1.400     1.400 peak   802 spectrum    1 weight  0.10000E+01 volume  0.22203E-02 ppm1      2.754 ppm2      0.985 CV     1
 OR {  802}
   (( segid "    " and resid 16   and name HB2 ))
   (  segid "    " and resid 15   and name HG1%)
 OR {  802}
   (( segid "    " and resid 16   and name HB2 ))
   (  segid "    " and resid 23   and name HG1%)
 OR {  802}
   (( segid "    " and resid 16   and name HB2 ))
   (  segid "    " and resid 21   and name HG2%)
 OR {  802}
   (( segid "    " and resid 16   and name HB2 ))
   (  segid "    " and resid 46   and name HG2%)
 OR {  802}
   (( segid "    " and resid 34   and name HB1 ))
   (  segid "    " and resid 38   and name HG1%)
 ASSI {  803}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 21   and name HB  ))
      5.500     3.800     0.500 peak   803 spectrum    1 weight  0.10000E+01 volume  0.20270E-03 ppm1      2.750 ppm2      1.624 CV     1
 OR {  803}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 18   and name HG11))
 OR {  803}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 36   and name HB2 ))
 OR {  803}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 18   and name HB  ))
 ASSI {  804}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 21   and name HB  ))
      3.500     1.500     1.500 peak   804 spectrum    1 weight  0.10000E+01 volume  0.11163E-02 ppm1      4.689 ppm2      1.612 CV     1
 OR {  804}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 18   and name HB  ))
 OR {  804}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 18   and name HG11))
 ASSI {  805}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 15   and name HG1%)
      3.300     1.300     1.300 peak   805 spectrum    1 weight  0.10000E+01 volume  0.22191E-02 ppm1      4.668 ppm2      0.994 CV     1
 OR {  805}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 21   and name HG2%)
 OR {  805}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 23   and name HG2%)
 OR {  805}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 23   and name HG1%)
 ASSI {  806}
   (( segid "    " and resid 16   and name HB1 ))
   (  segid "    " and resid 12   and name HB% )
      6.000     4.500     0.000 peak   806 spectrum    1 weight  0.10000E+01 volume  0.19363E-03 ppm1      3.106 ppm2      1.673 CV     1
 OR {  806}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 18   and name HG11))
 OR {  806}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 18   and name HB  ))
 OR {  806}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 74   and name HD2 ))
 ASSI {  807}
   (( segid "    " and resid 16   and name HB2 ))
   (  segid "    " and resid 12   and name HB% )
      5.500     3.700     0.500 peak   807 spectrum    1 weight  0.10000E+01 volume  0.27106E-03 ppm1      2.752 ppm2      1.676 CV     1
 OR {  807}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 18   and name HG11))
 ASSI {  808}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 40   and name H3A ))
      4.800     2.900     1.200 peak   808 spectrum    1 weight  0.10000E+01 volume  0.21668E-03 ppm1      3.106 ppm2      1.186 CV     1
 OR {  808}
   (( segid "    " and resid 16   and name HB1 ))
   (  segid "    " and resid 15   and name HG2%)
 ASSI {  809}
   (( segid "    " and resid 34   and name HB1 ))
   (  segid "    " and resid 33   and name HG2%)
      6.000     6.000     0.000 peak   809 spectrum    1 weight  0.10000E+01 volume  0.50173E-04 ppm1      2.750 ppm2      1.278 CV     1
 OR {  809}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 21   and name HG11))
 OR {  809}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 21   and name HG12))
 OR {  809}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 18   and name HG12))
 ASSI {  810}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 19   and name HN  ))
      5.900     4.300     0.100 peak   810 spectrum    1 weight  0.10000E+01 volume  0.31392E-03 ppm1      2.268 ppm2      8.492 CV     1
 OR {  810}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 19   and name HN  ))
 OR {  810}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 23   and name HN  ))
 ASSI {  811}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 19   and name HN  ))
      5.500     3.700     0.500 peak   811 spectrum    1 weight  0.10000E+01 volume  0.32707E-03 ppm1      2.138 ppm2      8.490 CV     1
 OR {  811}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 19   and name HN  ))
 ASSI {  812}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 17   and name HN  ))
      3.400     1.400     1.400 peak   812 spectrum    1 weight  0.10000E+01 volume  0.39042E-02 ppm1      2.265 ppm2      8.362 CV     1
 OR {  812}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 10   and name HN  ))
 ASSI {  816}
   (( segid "    " and resid 13   and name HG2 ))
   (( segid "    " and resid 14   and name HN  ))
      3.700     1.700     1.700 peak   816 spectrum    1 weight  0.10000E+01 volume  0.11168E-02 ppm1      2.259 ppm2      8.203 CV     1
 OR {  816}
   (( segid "    " and resid 52   and name HG2 ))
   (( segid "    " and resid 53   and name HN  ))
 OR {  816}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI {  821}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 77   and name HN  ))
      3.200     1.300     1.300 peak   821 spectrum    1 weight  0.10000E+01 volume  0.18051E-02 ppm1      3.945 ppm2      8.504 CV     1
 OR {  821}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
 OR {  821}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
 ASSI {  822}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 18   and name HN  ))
      2.600     0.800     0.800 peak   822 spectrum    1 weight  0.10000E+01 volume  0.31189E-02 ppm1      2.141 ppm2      8.204 CV     1
 OR {  822}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 53   and name HN  ))
 ASSI {  823}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 18   and name HN  ))
      3.400     1.400     1.400 peak   823 spectrum    1 weight  0.10000E+01 volume  0.23477E-02 ppm1      2.264 ppm2      8.195 CV     1
 OR {  823}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 14   and name HN  ))
 OR {  823}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 14   and name HN  ))
 ASSI {  825}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 17   and name HA  ))
      3.000     1.100     1.100 peak   825 spectrum    1 weight  0.10000E+01 volume  0.31562E-02 ppm1      2.266 ppm2      3.936 CV     1
 OR {  825}
   (( segid "    " and resid 13   and name HG2 ))
   (( segid "    " and resid 13   and name HA  ))
 OR {  825}
   (( segid "    " and resid 52   and name HG2 ))
   (( segid "    " and resid 53   and name HA  ))
 OR {  825}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 18   and name HA  ))
 ASSI {  826}
   (( segid "    " and resid 17   and name HG1 ))
   (( segid "    " and resid 17   and name HA  ))
      3.500     1.500     1.500 peak   826 spectrum    1 weight  0.10000E+01 volume  0.25124E-02 ppm1      2.431 ppm2      3.930 CV     1
 OR {  826}
   (( segid "    " and resid 52   and name HG1 ))
   (( segid "    " and resid 53   and name HA  ))
 OR {  826}
   (( segid "    " and resid 17   and name HG1 ))
   (( segid "    " and resid 18   and name HA  ))
 ASSI {  829}
   (( segid "    " and resid 13   and name HG2 ))
   (  segid "    " and resid 12   and name HB% )
      4.400     2.500     1.600 peak   829 spectrum    1 weight  0.10000E+01 volume  0.80041E-03 ppm1      2.269 ppm2      1.639 CV     1
 OR {  829}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 18   and name HG11))
 OR {  829}
   (( segid "    " and resid 52   and name HG2 ))
   (( segid "    " and resid 53   and name HB1 ))
 OR {  829}
   (( segid "    " and resid 45   and name HG2 ))
   (( segid "    " and resid 18   and name HB  ))
 OR {  829}
   (( segid "    " and resid 45   and name HG2 ))
   (( segid "    " and resid 18   and name HG11))
 OR {  829}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 18   and name HB  ))
 OR {  829}
   (( segid "    " and resid 24   and name HG2 ))
   (  segid "    " and resid 12   and name HB% )
 ASSI {  830}
   (( segid "    " and resid 52   and name HG1 ))
   (( segid "    " and resid 52   and name HA  ))
      3.300     1.400     1.400 peak   830 spectrum    1 weight  0.10000E+01 volume  0.22958E-02 ppm1      2.445 ppm2      4.092 CV     1
 OR {  830}
   (( segid "    " and resid 45   and name HG1 ))
   (( segid "    " and resid 45   and name HA  ))
 ASSI {  832}
   (( segid "    " and resid 17   and name HG1 ))
   (( segid "    " and resid 18   and name HG11))
      4.800     2.900     1.200 peak   832 spectrum    1 weight  0.10000E+01 volume  0.49743E-03 ppm1      2.433 ppm2      1.648 CV     1
 OR {  832}
   (( segid "    " and resid 52   and name HG1 ))
   (( segid "    " and resid 53   and name HB1 ))
 OR {  832}
   (( segid "    " and resid 45   and name HG1 ))
   (( segid "    " and resid 18   and name HB  ))
 OR {  832}
   (( segid "    " and resid 45   and name HG1 ))
   (( segid "    " and resid 18   and name HG11))
 OR {  832}
   (( segid "    " and resid 17   and name HG1 ))
   (( segid "    " and resid 18   and name HB  ))
 ASSI {  833}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HB1 ))
      2.200     0.600     0.600 peak   833 spectrum    1 weight  0.10000E+01 volume  0.13036E-01 ppm1      3.934 ppm2      2.264 CV     1
 OR {  833}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB1 ))
 OR {  833}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HB2 ))
 OR {  833}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HG2 ))
 ASSI {  836}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 13   and name HA  ))
      2.400     0.700     0.700 peak   836 spectrum    1 weight  0.10000E+01 volume  0.60921E-02 ppm1      2.269 ppm2      3.934 CV     1
 OR {  836}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 17   and name HA  ))
 OR {  836}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 13   and name HA  ))
 ASSI {  837}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 14   and name HA  ))
      3.800     1.900     1.900 peak   837 spectrum    1 weight  0.10000E+01 volume  0.14413E-02 ppm1      2.267 ppm2      3.817 CV     1
 OR {  837}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 14   and name HA  ))
 OR {  837}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 14   and name HA  ))
 ASSI {  838}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HA  ))
      3.000     1.100     1.100 peak   838 spectrum    1 weight  0.10000E+01 volume  0.40228E-02 ppm1      2.139 ppm2      3.929 CV     1
 OR {  838}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 18   and name HA  ))
 OR {  838}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 53   and name HA  ))
 ASSI {  853}
   (( segid "    " and resid 18   and name HG11))
   (( segid "    " and resid 19   and name HN  ))
      4.300     2.300     1.700 peak   853 spectrum    1 weight  0.10000E+01 volume  0.53904E-03 ppm1      1.648 ppm2      8.508 CV     1
 OR {  853}
   (( segid "    " and resid 27   and name HD2 ))
   (( segid "    " and resid 28   and name HN  ))
 ASSI {  858}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 42   and name HN  ))
      4.800     2.900     1.200 peak   858 spectrum    1 weight  0.10000E+01 volume  0.42546E-03 ppm1      0.953 ppm2      8.391 CV     1
 OR {  858}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 43   and name HN  ))
 OR {  858}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 17   and name HN  ))
 ASSI {  862}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 46   and name HN  ))
      4.400     2.500     1.600 peak   862 spectrum    1 weight  0.10000E+01 volume  0.98815E-03 ppm1      0.956 ppm2      8.087 CV     1
 OR {  862}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 41   and name HN  ))
 ASSI {  873}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 15   and name HA  ))
      3.800     1.800     1.800 peak   873 spectrum    1 weight  0.10000E+01 volume  0.74076E-03 ppm1      0.783 ppm2      3.604 CV     1
 OR {  873}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 44   and name HA  ))
 ASSI {  879}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 19   and name HA  ))
      4.300     2.300     1.700 peak   879 spectrum    1 weight  0.10000E+01 volume  0.34843E-03 ppm1      0.961 ppm2      4.850 CV     1
 OR {  879}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 19   and name HA  ))
 ASSI {  883}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 43   and name HN  ))
      5.200     3.400     0.800 peak   883 spectrum    1 weight  0.10000E+01 volume  0.25370E-03 ppm1      0.782 ppm2      8.337 CV     1
 OR {  883}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 17   and name HN  ))
 ASSI {  889}
   (  segid "    " and resid 18   and name HD1%)
   (  segid "    " and resid 49   and name HB% )
      3.100     1.200     1.200 peak   889 spectrum    1 weight  0.10000E+01 volume  0.59061E-02 ppm1      0.785 ppm2      1.527 CV     1
 OR {  889}
   (  segid "    " and resid 18   and name HD1%)
   (  segid "    " and resid 19   and name HB% )
 ASSI {  893}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 45   and name HB1 ))
      3.000     1.100     1.100 peak   893 spectrum    1 weight  0.10000E+01 volume  0.47514E-02 ppm1      0.784 ppm2      2.284 CV     1
 OR {  893}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 45   and name HG2 ))
 OR {  893}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 46   and name HB  ))
 ASSI {  894}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 45   and name HB2 ))
      2.000     0.500     0.500 peak   894 spectrum    1 weight  0.10000E+01 volume  0.44937E-02 ppm1      0.784 ppm2      2.150 CV     1
 OR {  894}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 14   and name HB  ))
 ASSI {  901}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 45   and name HB1 ))
      3.500     1.600     1.600 peak   901 spectrum    1 weight  0.10000E+01 volume  0.44422E-02 ppm1      0.954 ppm2      2.291 CV     1
 OR {  901}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 45   and name HG2 ))
 OR {  901}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 46   and name HB  ))
 ASSI {  903}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 45   and name HB2 ))
      3.200     1.300     1.300 peak   903 spectrum    1 weight  0.10000E+01 volume  0.26152E-02 ppm1      0.955 ppm2      2.155 CV     1
 OR {  903}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 17   and name HB2 ))
 ASSI {  904}
   (( segid "    " and resid 18   and name HG12))
   (( segid "    " and resid 45   and name HB1 ))
      4.400     2.500     1.600 peak   904 spectrum    1 weight  0.10000E+01 volume  0.68576E-03 ppm1      1.324 ppm2      2.272 CV     1
 OR {  904}
   (( segid "    " and resid 18   and name HG12))
   (( segid "    " and resid 17   and name HB1 ))
 OR {  904}
   (( segid "    " and resid 18   and name HG12))
   (( segid "    " and resid 45   and name HG2 ))
 ASSI {  905}
   (( segid "    " and resid 18   and name HG12))
   (( segid "    " and resid 45   and name HB2 ))
      4.300     2.300     1.700 peak   905 spectrum    1 weight  0.10000E+01 volume  0.54759E-03 ppm1      1.324 ppm2      2.143 CV     1
 OR {  905}
   (( segid "    " and resid 18   and name HG12))
   (( segid "    " and resid 17   and name HB2 ))
 ASSI {  906}
   (( segid "    " and resid 18   and name HG11))
   (( segid "    " and resid 17   and name HB1 ))
      4.300     2.300     1.700 peak   906 spectrum    1 weight  0.10000E+01 volume  0.76524E-03 ppm1      1.648 ppm2      2.263 CV     1
 OR {  906}
   (( segid "    " and resid 18   and name HG11))
   (( segid "    " and resid 45   and name HB1 ))
 OR {  906}
   (( segid "    " and resid 18   and name HG11))
   (( segid "    " and resid 46   and name HB  ))
 OR {  906}
   (( segid "    " and resid 18   and name HG11))
   (( segid "    " and resid 45   and name HG2 ))
 ASSI {  907}
   (( segid "    " and resid 18   and name HG11))
   (( segid "    " and resid 17   and name HB2 ))
      3.400     1.400     1.400 peak   907 spectrum    1 weight  0.10000E+01 volume  0.62684E-03 ppm1      1.643 ppm2      2.142 CV     1
 OR {  907}
   (( segid "    " and resid 18   and name HG11))
   (( segid "    " and resid 45   and name HB2 ))
 ASSI {  909}
   (( segid "    " and resid 18   and name HG11))
   (  segid "    " and resid 18   and name HG2%)
      3.200     1.300     1.300 peak   909 spectrum    1 weight  0.10000E+01 volume  0.41189E-02 ppm1      1.644 ppm2      0.959 CV     1
 OR {  909}
   (( segid "    " and resid 18   and name HG11))
   (  segid "    " and resid 46   and name HG2%)
 ASSI {  911}
   (( segid "    " and resid 18   and name HG11))
   (( segid "    " and resid 18   and name HG12))
      1.600     0.300     0.600 peak   911 spectrum    1 weight  0.10000E+01 volume  0.20317E-01 ppm1      1.643 ppm2      1.322 CV     1
 OR {  911}
   (( segid "    " and resid 27   and name HD2 ))
   (( segid "    " and resid 27   and name HG1 ))
 OR {  911}
   (( segid "    " and resid 27   and name HD2 ))
   (( segid "    " and resid 27   and name HG2 ))
 ASSI {  914}
   (( segid "    " and resid 18   and name HG12))
   (  segid "    " and resid 18   and name HG2%)
      2.500     0.800     0.800 peak   914 spectrum    1 weight  0.10000E+01 volume  0.45545E-02 ppm1      1.324 ppm2      0.956 CV     1
 OR {  914}
   (( segid "    " and resid 18   and name HG12))
   (  segid "    " and resid 46   and name HG2%)
 ASSI {  919}
   (  segid "    " and resid 18   and name HD1%)
   (  segid "    " and resid 46   and name HG2%)
      1.900     0.400     0.400 peak   919 spectrum    1 weight  0.10000E+01 volume  0.14756E-01 ppm1      0.783 ppm2      0.969 CV     1
 OR {  919}
   (  segid "    " and resid 18   and name HD1%)
   (  segid "    " and resid 18   and name HG2%)
 ASSI {  924}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 42   and name HN  ))
      4.400     2.400     1.600 peak   924 spectrum    1 weight  0.10000E+01 volume  0.52013E-03 ppm1      1.549 ppm2      8.389 CV     1
 OR {  924}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 43   and name HN  ))
 OR {  924}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 17   and name HN  ))
 ASSI {  925}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 43   and name HN  ))
      4.500     2.500     1.500 peak   925 spectrum    1 weight  0.10000E+01 volume  0.53502E-03 ppm1      1.543 ppm2      8.338 CV     1
 OR {  925}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 17   and name HN  ))
 ASSI {  927}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 38   and name HN  ))
      4.400     2.400     1.600 peak   927 spectrum    1 weight  0.10000E+01 volume  0.59811E-03 ppm1      1.543 ppm2      8.087 CV     1
 OR {  927}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 41   and name HN  ))
 OR {  927}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 16   and name HD22))
 ASSI {  933}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 16   and name HA  ))
      4.900     3.000     1.100 peak   933 spectrum    1 weight  0.10000E+01 volume  0.35399E-03 ppm1      1.546 ppm2      4.682 CV     1
 OR {  933}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 39   and name HA  ))
 ASSI {  935}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 21   and name HA  ))
      4.600     2.600     1.400 peak   935 spectrum    1 weight  0.10000E+01 volume  0.68613E-03 ppm1      1.544 ppm2      4.316 CV     1
 OR {  935}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 42   and name HA  ))
 ASSI {  936}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 20   and name HA1 ))
      4.700     2.700     1.300 peak   936 spectrum    1 weight  0.10000E+01 volume  0.55700E-03 ppm1      1.545 ppm2      4.066 CV     1
 OR {  936}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 32   and name HA  ))
 OR {  936}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 12   and name HA  ))
 OR {  936}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 22   and name HD1 ))
 ASSI {  937}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 38   and name HA  ))
      2.700     0.900     0.900 peak   937 spectrum    1 weight  0.10000E+01 volume  0.21560E-02 ppm1      1.544 ppm2      3.955 CV     1
 OR {  937}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 42   and name HB1 ))
 OR {  937}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 20   and name HA2 ))
 ASSI {  939}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 39   and name HB1 ))
      4.600     2.600     1.400 peak   939 spectrum    1 weight  0.10000E+01 volume  0.51424E-03 ppm1      1.547 ppm2      3.095 CV     1
 OR {  939}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 37   and name HB1 ))
 OR {  939}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 16   and name HB1 ))
 ASSI {  940}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 37   and name HB2 ))
      4.500     2.500     1.500 peak   940 spectrum    1 weight  0.10000E+01 volume  0.73783E-03 ppm1      1.543 ppm2      2.459 CV     1
 OR {  940}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 45   and name HG1 ))
 ASSI {  941}
   (  segid "    " and resid 19   and name HB% )
   (  segid "    " and resid 38   and name HG1%)
      2.000     0.500     0.500 peak   941 spectrum    1 weight  0.10000E+01 volume  0.16360E-01 ppm1      1.543 ppm2      0.955 CV     1
 OR {  941}
   (  segid "    " and resid 19   and name HB% )
   (  segid "    " and resid 18   and name HG2%)
 OR {  941}
   (  segid "    " and resid 19   and name HB% )
   (  segid "    " and resid 38   and name HG2%)
 OR {  941}
   (  segid "    " and resid 19   and name HB% )
   (  segid "    " and resid 46   and name HG2%)
 ASSI {  942}
   (  segid "    " and resid 19   and name HB% )
   (  segid "    " and resid 21   and name HD1%)
      3.000     1.100     1.100 peak   942 spectrum    1 weight  0.10000E+01 volume  0.44626E-02 ppm1      1.544 ppm2      0.832 CV     1
 OR {  942}
   (  segid "    " and resid 19   and name HB% )
   (  segid "    " and resid 18   and name HD1%)
 ASSI {  947}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 14   and name HB  ))
      5.200     3.400     0.800 peak   947 spectrum    1 weight  0.10000E+01 volume  0.30297E-03 ppm1      1.539 ppm2      2.127 CV     1
 OR {  947}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 45   and name HB2 ))
 OR {  947}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 11   and name HB1 ))
 OR {  947}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 22   and name HG1 ))
 ASSI {  949}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 43   and name HB2 ))
      5.600     3.900     0.400 peak   949 spectrum    1 weight  0.10000E+01 volume  0.22663E-03 ppm1      1.540 ppm2      1.969 CV     1
 OR {  949}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 22   and name HG2 ))
 OR {  949}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 14   and name HG11))
 ASSI {  951}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 15   and name HB  ))
      4.200     2.200     1.800 peak   951 spectrum    1 weight  0.10000E+01 volume  0.12682E-02 ppm1      1.546 ppm2      2.282 CV     1
 OR {  951}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 36   and name HB1 ))
 OR {  951}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 46   and name HB  ))
 OR {  951}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 45   and name HB1 ))
 ASSI {  972}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 22   and name HD1 ))
      3.500     1.600     1.600 peak   972 spectrum    1 weight  0.10000E+01 volume  0.16537E-02 ppm1      1.008 ppm2      4.039 CV     1
 OR {  972}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 32   and name HA  ))
 OR {  972}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 12   and name HA  ))
 ASSI {  975}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 22   and name HD1 ))
      3.900     1.900     1.900 peak   975 spectrum    1 weight  0.10000E+01 volume  0.12683E-02 ppm1      0.838 ppm2      4.047 CV     1
 OR {  975}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 32   and name HA  ))
 ASSI {  976}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 38   and name HA  ))
      3.900     1.900     1.900 peak   976 spectrum    1 weight  0.10000E+01 volume  0.44326E-03 ppm1      0.840 ppm2      3.963 CV     1
 OR {  976}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 42   and name HB1 ))
 ASSI {  981}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 15   and name HA  ))
      5.800     4.200     0.200 peak   981 spectrum    1 weight  0.10000E+01 volume  0.27472E-03 ppm1      0.840 ppm2      3.590 CV     1
 OR {  981}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 23   and name HA  ))
 ASSI {  983}
   (( segid "    " and resid 21   and name HG12))
   (( segid "    " and resid 32   and name HA  ))
      4.600     2.700     1.400 peak   983 spectrum    1 weight  0.10000E+01 volume  0.57052E-03 ppm1      1.324 ppm2      4.042 CV     1
 OR {  983}
   (( segid "    " and resid 21   and name HG11))
   (( segid "    " and resid 20   and name HA1 ))
 OR {  983}
   (( segid "    " and resid 21   and name HG11))
   (( segid "    " and resid 22   and name HD1 ))
 OR {  983}
   (( segid "    " and resid 21   and name HG12))
   (( segid "    " and resid 22   and name HD1 ))
 OR {  983}
   (( segid "    " and resid 21   and name HG11))
   (( segid "    " and resid 32   and name HA  ))
 OR {  983}
   (( segid "    " and resid 21   and name HG12))
   (( segid "    " and resid 12   and name HA  ))
 OR {  983}
   (( segid "    " and resid 21   and name HG12))
   (( segid "    " and resid 20   and name HA1 ))
 ASSI {  984}
   (( segid "    " and resid 21   and name HG12))
   (( segid "    " and resid 22   and name HD2 ))
      5.400     3.700     0.600 peak   984 spectrum    1 weight  0.10000E+01 volume  0.33714E-03 ppm1      1.315 ppm2      3.692 CV     1
 OR {  984}
   (( segid "    " and resid 21   and name HG11))
   (( segid "    " and resid 22   and name HD2 ))
 OR {  984}
   (( segid "    " and resid 21   and name HG11))
   (( segid "    " and resid 42   and name HB2 ))
 OR {  984}
   (( segid "    " and resid 21   and name HG12))
   (( segid "    " and resid 42   and name HB2 ))
 ASSI {  988}
   (( segid "    " and resid 21   and name HB  ))
   (( segid "    " and resid 16   and name HA  ))
      4.000     2.000     2.000 peak   988 spectrum    1 weight  0.10000E+01 volume  0.42897E-03 ppm1      1.618 ppm2      4.668 CV     1
 OR {  988}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 16   and name HA  ))
 ASSI {  989}
   (( segid "    " and resid 21   and name HB  ))
   (( segid "    " and resid 22   and name HD1 ))
      4.300     2.300     1.700 peak   989 spectrum    1 weight  0.10000E+01 volume  0.82755E-03 ppm1      1.620 ppm2      4.041 CV     1
 OR {  989}
   (( segid "    " and resid 21   and name HB  ))
   (( segid "    " and resid 12   and name HA  ))
 OR {  989}
   (( segid "    " and resid 21   and name HB  ))
   (( segid "    " and resid 20   and name HA1 ))
 OR {  989}
   (( segid "    " and resid 21   and name HB  ))
   (( segid "    " and resid 32   and name HA  ))
 OR {  989}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 45   and name HA  ))
 ASSI {  990}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 42   and name HB2 ))
      3.700     1.700     1.700 peak   990 spectrum    1 weight  0.10000E+01 volume  0.73085E-03 ppm1      1.615 ppm2      3.701 CV     1
 OR {  990}
   (( segid "    " and resid 21   and name HB  ))
   (( segid "    " and resid 22   and name HD2 ))
 ASSI {  993}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 22   and name HB1 ))
      5.700     4.100     0.300 peak   993 spectrum    1 weight  0.10000E+01 volume  0.42082E-03 ppm1      4.326 ppm2      2.357 CV     1
 OR {  993}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 26   and name HB  ))
 ASSI {  997}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HB  ))
      2.700     0.900     0.900 peak   997 spectrum    1 weight  0.10000E+01 volume  0.27343E-02 ppm1      4.324 ppm2      1.612 CV     1
 OR {  997}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 36   and name HB2 ))
 ASSI {  999}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 21   and name HG2%)
      2.300     0.600     0.600 peak   999 spectrum    1 weight  0.10000E+01 volume  0.57138E-02 ppm1      4.324 ppm2      1.004 CV     1
 OR {  999}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 15   and name HG1%)
 ASSI { 1003}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 15   and name HB  ))
      4.000     2.000     2.000 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.17773E-02 ppm1      0.839 ppm2      2.235 CV     1
 OR { 1003}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 69   and name HB  ))
 ASSI { 1008}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 21   and name HB  ))
      2.300     0.700     0.700 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.41139E-02 ppm1      1.007 ppm2      1.615 CV     1
 OR { 1008}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 36   and name HB2 ))
 ASSI { 1009}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 36   and name HB1 ))
      3.500     1.500     1.500 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.28340E-03 ppm1      1.009 ppm2      2.338 CV     1
 OR { 1009}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 26   and name HB  ))
 ASSI { 1010}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 36   and name HB1 ))
      3.800     1.800     1.800 peak  1010 spectrum    1 weight  0.10000E+01 volume  0.17022E-03 ppm1      1.009 ppm2      2.309 CV     1
 OR { 1010}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 26   and name HB  ))
 OR { 1010}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 22   and name HB1 ))
 ASSI { 1014}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 30   and name HB1 ))
      5.400     3.600     0.600 peak  1014 spectrum    1 weight  0.10000E+01 volume  0.45102E-03 ppm1      0.999 ppm2      2.060 CV     1
 OR { 1014}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 43   and name HB1 ))
 OR { 1014}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 14   and name HB  ))
 OR { 1014}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 27   and name HB1 ))
 ASSI { 1017}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 36   and name HB2 ))
      3.000     1.100     1.100 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.35846E-02 ppm1      0.838 ppm2      1.611 CV     1
 OR { 1017}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 21   and name HB  ))
 ASSI { 1019}
   (( segid "    " and resid 21   and name HG11))
   (( segid "    " and resid 21   and name HB  ))
      2.200     0.600     0.600 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.54900E-02 ppm1      1.314 ppm2      1.614 CV     1
 OR { 1019}
   (( segid "    " and resid 21   and name HG12))
   (( segid "    " and resid 21   and name HB  ))
 OR { 1019}
   (( segid "    " and resid 21   and name HG12))
   (( segid "    " and resid 36   and name HB2 ))
 OR { 1019}
   (( segid "    " and resid 21   and name HG11))
   (( segid "    " and resid 36   and name HB2 ))
 ASSI { 1020}
   (( segid "    " and resid 21   and name HG11))
   (  segid "    " and resid 15   and name HG1%)
      2.200     0.600     0.600 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.62186E-02 ppm1      1.319 ppm2      1.004 CV     1
 OR { 1020}
   (( segid "    " and resid 21   and name HG12))
   (  segid "    " and resid 21   and name HG2%)
 OR { 1020}
   (( segid "    " and resid 21   and name HG12))
   (  segid "    " and resid 15   and name HG1%)
 OR { 1020}
   (( segid "    " and resid 21   and name HG11))
   (  segid "    " and resid 21   and name HG2%)
 ASSI { 1022}
   (  segid "    " and resid 21   and name HG2%)
   (  segid "    " and resid 21   and name HD1%)
      2.500     0.800     0.800 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.32293E-02 ppm1      1.007 ppm2      0.815 CV     1
 OR { 1022}
   (  segid "    " and resid 21   and name HG2%)
   (  segid "    " and resid 36   and name HD2%)
 ASSI { 1031}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 25   and name HN  ))
      3.200     1.300     1.300 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.13500E-02 ppm1      1.764 ppm2      7.746 CV     1
 OR { 1031}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 65   and name HD22))
 ASSI { 1036}
   (( segid "    " and resid 22   and name HG1 ))
   (( segid "    " and resid 23   and name HN  ))
      5.400     3.700     0.600 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.29331E-03 ppm1      2.132 ppm2      8.523 CV     1
 OR { 1036}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 77   and name HN  ))
 ASSI { 1038}
   (( segid "    " and resid 22   and name HG1 ))
   (( segid "    " and resid 22   and name HD2 ))
      2.900     1.000     1.000 peak  1038 spectrum    1 weight  0.10000E+01 volume  0.41106E-02 ppm1      2.135 ppm2      3.700 CV     1
 OR { 1038}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 4    and name HA  ))
 ASSI { 1040}
   (( segid "    " and resid 22   and name HG1 ))
   (( segid "    " and resid 22   and name HD1 ))
      2.400     0.700     0.700 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.39673E-02 ppm1      2.136 ppm2      4.038 CV     1
 OR { 1040}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 1    and name HA  ))
 ASSI { 1042}
   (( segid "    " and resid 22   and name HG1 ))
   (( segid "    " and resid 22   and name HA  ))
      3.300     1.300     1.300 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.22356E-02 ppm1      2.135 ppm2      4.310 CV     1
 OR { 1042}
   (( segid "    " and resid 22   and name HG1 ))
   (( segid "    " and resid 21   and name HA  ))
 ASSI { 1043}
   (( segid "    " and resid 22   and name HG2 ))
   (( segid "    " and resid 22   and name HA  ))
      4.000     2.000     2.000 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.23251E-02 ppm1      1.947 ppm2      4.311 CV     1
 OR { 1043}
   (( segid "    " and resid 22   and name HG2 ))
   (( segid "    " and resid 21   and name HA  ))
 ASSI { 1053}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 25   and name HB1 ))
      4.400     2.400     1.600 peak  1053 spectrum    1 weight  0.10000E+01 volume  0.68115E-03 ppm1      1.760 ppm2      2.689 CV     1
 OR { 1053}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 61   and name HB1 ))
 ASSI { 1055}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 22   and name HA  ))
      2.300     0.700     0.700 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.58335E-02 ppm1      2.353 ppm2      4.304 CV     1
 OR { 1055}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 21   and name HA  ))
 ASSI { 1056}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 22   and name HD1 ))
      4.200     2.200     1.800 peak  1056 spectrum    1 weight  0.10000E+01 volume  0.12449E-02 ppm1      2.354 ppm2      4.036 CV     1
 OR { 1056}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 24   and name HA  ))
 ASSI { 1058}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HA  ))
      3.100     1.200     1.200 peak  1058 spectrum    1 weight  0.10000E+01 volume  0.31371E-02 ppm1      1.763 ppm2      4.307 CV     1
 OR { 1058}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 21   and name HA  ))
 ASSI { 1062}
   (( segid "    " and resid 22   and name HD1 ))
   (( segid "    " and resid 21   and name HA  ))
      1.800     0.400     0.400 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.11044E-01 ppm1      4.041 ppm2      4.321 CV     1
 OR { 1062}
   (( segid "    " and resid 22   and name HD1 ))
   (( segid "    " and resid 22   and name HA  ))
 ASSI { 1063}
   (( segid "    " and resid 22   and name HD2 ))
   (( segid "    " and resid 21   and name HA  ))
      2.600     0.800     0.800 peak  1063 spectrum    1 weight  0.10000E+01 volume  0.72792E-02 ppm1      3.701 ppm2      4.322 CV     1
 OR { 1063}
   (( segid "    " and resid 22   and name HD2 ))
   (( segid "    " and resid 22   and name HA  ))
 ASSI { 1068}
   (( segid "    " and resid 22   and name HD1 ))
   (( segid "    " and resid 22   and name HB1 ))
      4.200     2.200     1.800 peak  1068 spectrum    1 weight  0.10000E+01 volume  0.11973E-02 ppm1      4.041 ppm2      2.343 CV     1
 OR { 1068}
   (( segid "    " and resid 22   and name HD1 ))
   (( segid "    " and resid 36   and name HB1 ))
 ASSI { 1075}
   (( segid "    " and resid 22   and name HD2 ))
   (( segid "    " and resid 21   and name HB  ))
      4.200     2.200     1.800 peak  1075 spectrum    1 weight  0.10000E+01 volume  0.81667E-03 ppm1      3.702 ppm2      1.613 CV     1
 OR { 1075}
   (( segid "    " and resid 22   and name HD2 ))
   (( segid "    " and resid 36   and name HB2 ))
 ASSI { 1076}
   (( segid "    " and resid 22   and name HD2 ))
   (( segid "    " and resid 22   and name HB1 ))
      3.900     1.900     1.900 peak  1076 spectrum    1 weight  0.10000E+01 volume  0.13035E-02 ppm1      3.703 ppm2      2.349 CV     1
 OR { 1076}
   (( segid "    " and resid 22   and name HD2 ))
   (( segid "    " and resid 36   and name HB1 ))
 ASSI { 1077}
   (( segid "    " and resid 22   and name HD1 ))
   (( segid "    " and resid 21   and name HB  ))
      4.500     2.500     1.500 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.74268E-03 ppm1      4.042 ppm2      1.613 CV     1
 OR { 1077}
   (( segid "    " and resid 22   and name HD1 ))
   (( segid "    " and resid 36   and name HB2 ))
 ASSI { 1079}
   (( segid "    " and resid 22   and name HG1 ))
   (( segid "    " and resid 22   and name HB2 ))
      2.800     1.000     1.000 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.59368E-02 ppm1      2.134 ppm2      1.760 CV     1
 OR { 1079}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 7    and name HB  ))
 ASSI { 1080}
   (( segid "    " and resid 22   and name HG2 ))
   (( segid "    " and resid 22   and name HB1 ))
      2.600     0.800     0.800 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.58824E-02 ppm1      1.944 ppm2      2.355 CV     1
 OR { 1080}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 59   and name HB1 ))
 ASSI { 1081}
   (( segid "    " and resid 22   and name HG2 ))
   (( segid "    " and resid 24   and name HG1 ))
      6.000     4.900     0.000 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.65931E-04 ppm1      1.945 ppm2      2.242 CV     1
 OR { 1081}
   (( segid "    " and resid 22   and name HG2 ))
   (( segid "    " and resid 24   and name HG2 ))
 OR { 1081}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 47   and name HB  ))
 ASSI { 1084}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 59   and name HB2 ))
      2.000     0.500     0.500 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.77255E-02 ppm1      2.351 ppm2      1.945 CV     1
 OR { 1084}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 22   and name HG2 ))
 OR { 1084}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 59   and name HG2 ))
 ASSI { 1087}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 24   and name HG1 ))
      3.900     1.900     1.900 peak  1087 spectrum    1 weight  0.10000E+01 volume  0.50670E-03 ppm1      1.767 ppm2      2.248 CV     1
 OR { 1087}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 24   and name HG2 ))
 OR { 1087}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 40   and name H2B ))
 OR { 1087}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 40   and name H2A ))
 ASSI { 1093}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 23   and name HG2%)
      3.500     1.500     1.500 peak  1093 spectrum    1 weight  0.10000E+01 volume  0.28406E-02 ppm1      4.305 ppm2      0.987 CV     1
 OR { 1093}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 23   and name HG1%)
 OR { 1093}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 21   and name HG2%)
 ASSI { 1097}
   (( segid "    " and resid 22   and name HB2 ))
   (  segid "    " and resid 21   and name HG2%)
      4.300     2.300     1.700 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.72623E-03 ppm1      1.760 ppm2      0.997 CV     1
 OR { 1097}
   (( segid "    " and resid 22   and name HB2 ))
   (  segid "    " and resid 23   and name HG1%)
 OR { 1097}
   (( segid "    " and resid 22   and name HB2 ))
   (  segid "    " and resid 23   and name HG2%)
 ASSI { 1098}
   (( segid "    " and resid 22   and name HG1 ))
   (  segid "    " and resid 21   and name HG2%)
      4.900     3.000     1.100 peak  1098 spectrum    1 weight  0.10000E+01 volume  0.61884E-03 ppm1      2.132 ppm2      0.998 CV     1
 OR { 1098}
   (( segid "    " and resid 80   and name HB2 ))
   (  segid "    " and resid 56   and name HG2%)
 OR { 1098}
   (( segid "    " and resid 22   and name HG1 ))
   (  segid "    " and resid 23   and name HG1%)
 OR { 1098}
   (( segid "    " and resid 22   and name HG1 ))
   (  segid "    " and resid 23   and name HG2%)
 ASSI { 1101}
   (( segid "    " and resid 22   and name HD1 ))
   (  segid "    " and resid 21   and name HG2%)
      3.000     1.100     1.100 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.33349E-02 ppm1      4.040 ppm2      1.006 CV     1
 OR { 1101}
   (( segid "    " and resid 22   and name HD1 ))
   (  segid "    " and resid 15   and name HG1%)
 ASSI { 1104}
   (( segid "    " and resid 22   and name HD2 ))
   (  segid "    " and resid 21   and name HG2%)
      2.300     0.600     0.600 peak  1104 spectrum    1 weight  0.10000E+01 volume  0.48318E-02 ppm1      3.701 ppm2      1.004 CV     1
 OR { 1104}
   (( segid "    " and resid 22   and name HD2 ))
   (  segid "    " and resid 15   and name HG1%)
 ASSI { 1109}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 44   and name HA  ))
      2.300     0.700     0.700 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.11683E-01 ppm1      0.970 ppm2      3.603 CV     1
 OR { 1109}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 23   and name HA  ))
 OR { 1109}
   (  segid "    " and resid 23   and name HG1%)
   (( segid "    " and resid 23   and name HA  ))
 OR { 1109}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 79   and name HB1 ))
 ASSI { 1111}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 22   and name HA  ))
      4.000     2.000     2.000 peak  1111 spectrum    1 weight  0.10000E+01 volume  0.98226E-03 ppm1      3.612 ppm2      4.302 CV     1
 OR { 1111}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 41   and name HA  ))
 OR { 1111}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 42   and name HA  ))
 ASSI { 1112}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 24   and name HA  ))
      3.700     1.700     1.700 peak  1112 spectrum    1 weight  0.10000E+01 volume  0.12058E-02 ppm1      3.603 ppm2      4.053 CV     1
 OR { 1112}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 45   and name HA  ))
 OR { 1112}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 12   and name HA  ))
 ASSI { 1113}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HB  ))
      2.400     0.700     0.700 peak  1113 spectrum    1 weight  0.10000E+01 volume  0.66539E-02 ppm1      3.614 ppm2      2.039 CV     1
 OR { 1113}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 43   and name HB1 ))
 ASSI { 1115}
   (( segid "    " and resid 44   and name HA  ))
   (  segid "    " and resid 44   and name HG1%)
      2.200     0.600     0.600 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.14438E-01 ppm1      3.611 ppm2      0.977 CV     1
 OR { 1115}
   (( segid "    " and resid 23   and name HA  ))
   (  segid "    " and resid 23   and name HG2%)
 OR { 1115}
   (( segid "    " and resid 23   and name HA  ))
   (  segid "    " and resid 23   and name HG1%)
 ASSI { 1116}
   (( segid "    " and resid 23   and name HA  ))
   (  segid "    " and resid 26   and name HG1%)
      5.100     3.200     0.900 peak  1116 spectrum    1 weight  0.10000E+01 volume  0.51648E-03 ppm1      3.616 ppm2      0.747 CV     1
 OR { 1116}
   (( segid "    " and resid 44   and name HA  ))
   (  segid "    " and resid 18   and name HD1%)
 OR { 1116}
   (( segid "    " and resid 23   and name HA  ))
   (  segid "    " and resid 36   and name HD2%)
 ASSI { 1117}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 26   and name HB  ))
      3.500     1.500     1.500 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.16238E-02 ppm1      3.610 ppm2      2.321 CV     1
 OR { 1117}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 22   and name HB1 ))
 OR { 1117}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 45   and name HG2 ))
 OR { 1117}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 24   and name HG2 ))
 OR { 1117}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 46   and name HB  ))
 OR { 1117}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 24   and name HG1 ))
 OR { 1117}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 43   and name HG1 ))
 OR { 1117}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 45   and name HB1 ))
 ASSI { 1118}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 16   and name HB1 ))
      3.800     1.800     1.800 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.10906E-02 ppm1      3.614 ppm2      3.096 CV     1
 OR { 1118}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 27   and name HE2 ))
 OR { 1118}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 27   and name HE1 ))
 ASSI { 1121}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      3.500     1.600     1.600 peak  1121 spectrum    1 weight  0.10000E+01 volume  0.98765E-03 ppm1      3.616 ppm2      7.489 CV     1
 OR { 1121}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
 ASSI { 1123}
   (( segid "    " and resid 23   and name HB  ))
   (( segid "    " and resid 24   and name HN  ))
      3.300     1.400     1.400 peak  1123 spectrum    1 weight  0.10000E+01 volume  0.24064E-02 ppm1      2.042 ppm2      9.244 CV     1
 OR { 1123}
   (( segid "    " and resid 8    and name HB  ))
   (( segid "    " and resid 11   and name HN  ))
 ASSI { 1125}
   (( segid "    " and resid 63   and name HB  ))
   (( segid "    " and resid 61   and name HA  ))
      4.600     2.600     1.400 peak  1125 spectrum    1 weight  0.10000E+01 volume  0.69604E-03 ppm1      2.042 ppm2      4.302 CV     1
 OR { 1125}
   (( segid "    " and resid 23   and name HB  ))
   (( segid "    " and resid 22   and name HA  ))
 ASSI { 1126}
   (( segid "    " and resid 23   and name HB  ))
   (  segid "    " and resid 12   and name HB% )
      3.200     1.200     1.200 peak  1126 spectrum    1 weight  0.10000E+01 volume  0.29545E-02 ppm1      2.041 ppm2      1.686 CV     1
 OR { 1126}
   (( segid "    " and resid 63   and name HB  ))
   (( segid "    " and resid 58   and name HB  ))
 OR { 1126}
   (( segid "    " and resid 8    and name HB  ))
   (  segid "    " and resid 12   and name HB% )
 OR { 1126}
   (( segid "    " and resid 8    and name HB  ))
   (( segid "    " and resid 28   and name HB1 ))
 OR { 1126}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 27   and name HD2 ))
 OR { 1126}
   (( segid "    " and resid 63   and name HB  ))
   (( segid "    " and resid 64   and name HD2 ))
 OR { 1126}
   (( segid "    " and resid 63   and name HB  ))
   (( segid "    " and resid 64   and name HD1 ))
 ASSI { 1131}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 61   and name HN  ))
      3.400     1.500     1.500 peak  1131 spectrum    1 weight  0.10000E+01 volume  0.61633E-03 ppm1      1.006 ppm2      8.701 CV     1
 OR { 1131}
   (  segid "    " and resid 23   and name HG1%)
   (( segid "    " and resid 16   and name HN  ))
 ASSI { 1134}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 16   and name HD22))
      3.400     1.500     1.500 peak  1134 spectrum    1 weight  0.10000E+01 volume  0.11335E-02 ppm1      1.003 ppm2      8.077 CV     1
 OR { 1134}
   (  segid "    " and resid 23   and name HG1%)
   (( segid "    " and resid 16   and name HD22))
 OR { 1134}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 46   and name HN  ))
 ASSI { 1136}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 26   and name HN  ))
      4.700     2.700     1.300 peak  1136 spectrum    1 weight  0.10000E+01 volume  0.51406E-03 ppm1      1.007 ppm2      7.496 CV     1
 OR { 1136}
   (  segid "    " and resid 23   and name HG1%)
   (( segid "    " and resid 26   and name HN  ))
 OR { 1136}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 62   and name HN  ))
 ASSI { 1137}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 22   and name HA  ))
      4.000     2.000     2.000 peak  1137 spectrum    1 weight  0.10000E+01 volume  0.17300E-02 ppm1      1.004 ppm2      4.305 CV     1
 OR { 1137}
   (  segid "    " and resid 23   and name HG1%)
   (( segid "    " and resid 22   and name HA  ))
 OR { 1137}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 41   and name HA  ))
 ASSI { 1142}
   (  segid "    " and resid 23   and name HG1%)
   (( segid "    " and resid 16   and name HB1 ))
      3.000     1.100     1.100 peak  1142 spectrum    1 weight  0.10000E+01 volume  0.29422E-02 ppm1      0.969 ppm2      3.104 CV     1
 OR { 1142}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 75   and name HB1 ))
 OR { 1142}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 75   and name HB2 ))
 ASSI { 1143}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 23   and name HB  ))
      2.000     0.500     0.500 peak  1143 spectrum    1 weight  0.10000E+01 volume  0.19402E-01 ppm1      1.004 ppm2      2.041 CV     1
 OR { 1143}
   (  segid "    " and resid 48   and name HG1%)
   (( segid "    " and resid 48   and name HB  ))
 OR { 1143}
   (  segid "    " and resid 23   and name HG1%)
   (( segid "    " and resid 23   and name HB  ))
 ASSI { 1144}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 45   and name HG2 ))
      3.000     1.100     1.100 peak  1144 spectrum    1 weight  0.10000E+01 volume  0.37001E-02 ppm1      1.003 ppm2      2.294 CV     1
 OR { 1144}
   (  segid "    " and resid 23   and name HG1%)
   (( segid "    " and resid 24   and name HG2 ))
 OR { 1144}
   (  segid "    " and resid 23   and name HG1%)
   (( segid "    " and resid 24   and name HG1 ))
 OR { 1144}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 26   and name HB  ))
 OR { 1144}
   (  segid "    " and resid 48   and name HG1%)
   (( segid "    " and resid 45   and name HB1 ))
 OR { 1144}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 45   and name HB1 ))
 OR { 1144}
   (  segid "    " and resid 48   and name HG1%)
   (( segid "    " and resid 51   and name HG2 ))
 OR { 1144}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 24   and name HG2 ))
 OR { 1144}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 24   and name HG1 ))
 OR { 1144}
   (  segid "    " and resid 23   and name HG1%)
   (( segid "    " and resid 26   and name HB  ))
 OR { 1144}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 46   and name HB  ))
 ASSI { 1146}
   (  segid "    " and resid 26   and name HG2%)
   (  segid "    " and resid 12   and name HB% )
      2.300     0.700     0.700 peak  1146 spectrum    1 weight  0.10000E+01 volume  0.80411E-02 ppm1      0.966 ppm2      1.685 CV     1
 OR { 1146}
   (  segid "    " and resid 23   and name HG2%)
   (  segid "    " and resid 12   and name HB% )
 OR { 1146}
   (  segid "    " and resid 23   and name HG1%)
   (  segid "    " and resid 12   and name HB% )
 ASSI { 1151}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 30   and name HE1 ))
      3.400     1.500     1.500 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.11683E-02 ppm1      4.602 ppm2      3.057 CV     1
 OR { 1151}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 27   and name HE1 ))
 OR { 1151}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 27   and name HE2 ))
 ASSI { 1152}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 22   and name HD1 ))
      5.400     3.700     0.600 peak  1152 spectrum    1 weight  0.10000E+01 volume  0.30592E-03 ppm1      2.681 ppm2      4.038 CV     1
 OR { 1152}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 24   and name HA  ))
 OR { 1152}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 32   and name HA  ))
 ASSI { 1165}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 21   and name HG12))
      5.300     3.500     0.700 peak  1165 spectrum    1 weight  0.10000E+01 volume  0.30050E-03 ppm1      2.683 ppm2      1.339 CV     1
 OR { 1165}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 30   and name HB2 ))
 OR { 1165}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 21   and name HG11))
 OR { 1165}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 30   and name HG2 ))
 ASSI { 1166}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 21   and name HG12))
      5.300     3.500     0.700 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.43938E-03 ppm1      2.606 ppm2      1.337 CV     1
 OR { 1166}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 30   and name HG2 ))
 OR { 1166}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 27   and name HG1 ))
 OR { 1166}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 21   and name HG11))
 OR { 1166}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 30   and name HB2 ))
 ASSI { 1170}
   (( segid "    " and resid 60   and name HB2 ))
   (  segid "    " and resid 63   and name HG1%)
      3.800     1.800     1.800 peak  1170 spectrum    1 weight  0.10000E+01 volume  0.11579E-02 ppm1      2.606 ppm2      0.769 CV     1
 OR { 1170}
   (( segid "    " and resid 25   and name HB2 ))
   (  segid "    " and resid 36   and name HD2%)
 OR { 1170}
   (( segid "    " and resid 60   and name HB1 ))
   (  segid "    " and resid 63   and name HG1%)
 ASSI { 1171}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 27   and name HG2 ))
      3.300     1.400     1.400 peak  1171 spectrum    1 weight  0.10000E+01 volume  0.13583E-02 ppm1      4.609 ppm2      1.338 CV     1
 OR { 1171}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 27   and name HG1 ))
 OR { 1171}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 30   and name HG2 ))
 OR { 1171}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
 ASSI { 1172}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 24   and name HG1 ))
      4.500     2.500     1.500 peak  1172 spectrum    1 weight  0.10000E+01 volume  0.27503E-03 ppm1      4.597 ppm2      2.295 CV     1
 OR { 1172}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 24   and name HG2 ))
 OR { 1172}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 26   and name HB  ))
 OR { 1172}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 36   and name HB1 ))
 ASSI { 1174}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 30   and name HD1 ))
      5.200     3.300     0.800 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.24757E-03 ppm1      4.604 ppm2      1.615 CV     1
 OR { 1174}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 27   and name HD2 ))
 OR { 1174}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 21   and name HB  ))
 OR { 1174}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 36   and name HB2 ))
 ASSI { 1175}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
      4.600     2.600     1.400 peak  1175 spectrum    1 weight  0.10000E+01 volume  0.58148E-03 ppm1      4.599 ppm2      1.749 CV     1
 OR { 1175}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 27   and name HD1 ))
 ASSI { 1177}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      2.700     0.900     0.900 peak  1177 spectrum    1 weight  0.10000E+01 volume  0.24828E-02 ppm1      3.542 ppm2      7.491 CV     1
 OR { 1177}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
 OR { 1177}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
 ASSI { 1179}
   (( segid "    " and resid 26   and name HB  ))
   (( segid "    " and resid 12   and name HN  ))
      4.900     3.000     1.100 peak  1179 spectrum    1 weight  0.10000E+01 volume  0.35359E-03 ppm1      2.337 ppm2      8.922 CV     1
 OR { 1179}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 12   and name HN  ))
 ASSI { 1180}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 32   and name HA  ))
      5.300     3.500     0.700 peak  1180 spectrum    1 weight  0.10000E+01 volume  0.46084E-03 ppm1      3.537 ppm2      4.059 CV     1
 OR { 1180}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 12   and name HA  ))
 ASSI { 1181}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 27   and name HA  ))
      4.200     2.200     1.800 peak  1181 spectrum    1 weight  0.10000E+01 volume  0.49122E-03 ppm1      3.540 ppm2      4.620 CV     1
 OR { 1181}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 25   and name HA  ))
 ASSI { 1183}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HB  ))
      2.900     1.000     1.000 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.20499E-02 ppm1      3.542 ppm2      2.337 CV     1
 OR { 1183}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 36   and name HB1 ))
 ASSI { 1184}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 30   and name HB1 ))
      4.200     2.200     1.800 peak  1184 spectrum    1 weight  0.10000E+01 volume  0.70024E-03 ppm1      3.543 ppm2      2.058 CV     1
 OR { 1184}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 27   and name HB1 ))
 ASSI { 1186}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 12   and name HB% )
      4.800     2.900     1.200 peak  1186 spectrum    1 weight  0.10000E+01 volume  0.60477E-03 ppm1      3.538 ppm2      1.687 CV     1
 OR { 1186}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 27   and name HD1 ))
 OR { 1186}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 27   and name HD2 ))
 ASSI { 1187}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 27   and name HB2 ))
      4.400     2.400     1.600 peak  1187 spectrum    1 weight  0.10000E+01 volume  0.71230E-03 ppm1      3.543 ppm2      1.557 CV     1
 OR { 1187}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 30   and name HD1 ))
 ASSI { 1188}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
      3.500     1.500     1.500 peak  1188 spectrum    1 weight  0.10000E+01 volume  0.15226E-02 ppm1      3.542 ppm2      1.343 CV     1
 OR { 1188}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 30   and name HG2 ))
 OR { 1188}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 27   and name HG2 ))
 OR { 1188}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 27   and name HG1 ))
 OR { 1188}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 21   and name HG11))
 ASSI { 1189}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 21   and name HG2%)
      4.000     2.000     2.000 peak  1189 spectrum    1 weight  0.10000E+01 volume  0.75350E-03 ppm1      3.541 ppm2      1.026 CV     1
 OR { 1189}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 15   and name HG1%)
 ASSI { 1190}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 26   and name HG2%)
      2.300     0.700     0.700 peak  1190 spectrum    1 weight  0.10000E+01 volume  0.56572E-02 ppm1      3.542 ppm2      0.924 CV     1
 OR { 1190}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 8    and name HG1%)
 ASSI { 1191}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 36   and name HD2%)
      2.100     0.500     0.500 peak  1191 spectrum    1 weight  0.10000E+01 volume  0.81033E-02 ppm1      3.542 ppm2      0.746 CV     1
 OR { 1191}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 26   and name HG1%)
 ASSI { 1192}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 36   and name HD1%)
      2.600     0.900     0.900 peak  1192 spectrum    1 weight  0.10000E+01 volume  0.17299E-02 ppm1      3.541 ppm2      0.608 CV     1
 OR { 1192}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 69   and name HG2%)
 ASSI { 1194}
   (( segid "    " and resid 26   and name HB  ))
   (  segid "    " and resid 26   and name HG2%)
      2.200     0.600     0.600 peak  1194 spectrum    1 weight  0.10000E+01 volume  0.85299E-02 ppm1      2.335 ppm2      0.928 CV     1
 OR { 1194}
   (( segid "    " and resid 26   and name HB  ))
   (  segid "    " and resid 8    and name HG1%)
 OR { 1194}
   (( segid "    " and resid 45   and name HB1 ))
   (  segid "    " and resid 18   and name HG2%)
 ASSI { 1195}
   (( segid "    " and resid 26   and name HB  ))
   (  segid "    " and resid 26   and name HG1%)
      2.100     0.600     0.600 peak  1195 spectrum    1 weight  0.10000E+01 volume  0.79320E-02 ppm1      2.339 ppm2      0.739 CV     1
 OR { 1195}
   (( segid "    " and resid 26   and name HB  ))
   (  segid "    " and resid 36   and name HD2%)
 ASSI { 1197}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 12   and name HA  ))
      2.400     0.700     0.700 peak  1197 spectrum    1 weight  0.10000E+01 volume  0.78566E-02 ppm1      0.740 ppm2      4.054 CV     1
 OR { 1197}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 32   and name HA  ))
 ASSI { 1198}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 26   and name HA  ))
      2.200     0.600     0.600 peak  1198 spectrum    1 weight  0.10000E+01 volume  0.67996E-02 ppm1      0.740 ppm2      3.543 CV     1
 OR { 1198}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 28   and name HA  ))
 ASSI { 1199}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 8    and name HA  ))
      3.700     1.700     1.700 peak  1199 spectrum    1 weight  0.10000E+01 volume  0.88483E-03 ppm1      0.741 ppm2      3.391 CV     1
 OR { 1199}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 69   and name HA  ))
 ASSI { 1200}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 44   and name HA  ))
      2.400     0.700     0.700 peak  1200 spectrum    1 weight  0.10000E+01 volume  0.59477E-02 ppm1      0.928 ppm2      3.546 CV     1
 OR { 1200}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 26   and name HA  ))
 OR { 1200}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 76   and name HA  ))
 OR { 1200}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 79   and name HB1 ))
 ASSI { 1201}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 12   and name HA  ))
      2.200     0.600     0.600 peak  1201 spectrum    1 weight  0.10000E+01 volume  0.71025E-02 ppm1      0.929 ppm2      4.053 CV     1
 OR { 1201}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 45   and name HA  ))
 OR { 1201}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 32   and name HA  ))
 OR { 1201}
   (  segid "    " and resid 8    and name HG1%)
   (( segid "    " and resid 12   and name HA  ))
 OR { 1201}
   (  segid "    " and resid 23   and name HG1%)
   (( segid "    " and resid 12   and name HA  ))
 ASSI { 1202}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 9    and name HA  ))
      4.500     2.600     1.500 peak  1202 spectrum    1 weight  0.10000E+01 volume  0.27772E-03 ppm1      0.736 ppm2      4.235 CV     1
 OR { 1202}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 11   and name HA  ))
 OR { 1202}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 73   and name HB  ))
 ASSI { 1203}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 9    and name HA  ))
      4.900     3.000     1.100 peak  1203 spectrum    1 weight  0.10000E+01 volume  0.10584E-03 ppm1      0.737 ppm2      4.181 CV     1
 OR { 1203}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 73   and name HB  ))
 OR { 1203}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 40   and name HA  ))
 ASSI { 1204}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 27   and name HA  ))
      4.100     2.100     1.900 peak  1204 spectrum    1 weight  0.10000E+01 volume  0.45242E-03 ppm1      0.741 ppm2      4.635 CV     1
 OR { 1204}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 25   and name HA  ))
 ASSI { 1206}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 27   and name HN  ))
      4.100     2.100     1.900 peak  1206 spectrum    1 weight  0.10000E+01 volume  0.95974E-03 ppm1      0.930 ppm2      6.350 CV     1
 OR { 1206}
   (  segid "    " and resid 8    and name HG1%)
   (( segid "    " and resid 27   and name HN  ))
 ASSI { 1209}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 32   and name HZ  ))
      3.900     1.900     1.900 peak  1209 spectrum    1 weight  0.10000E+01 volume  0.28112E-03 ppm1      0.737 ppm2      6.853 CV     1
 OR { 1209}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 16   and name HD21))
 ASSI { 1213}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 25   and name HN  ))
      5.100     3.300     0.900 peak  1213 spectrum    1 weight  0.10000E+01 volume  0.22038E-03 ppm1      0.737 ppm2      7.761 CV     1
 OR { 1213}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 35   and name HN  ))
 ASSI { 1215}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 26   and name HN  ))
      3.900     1.900     1.900 peak  1215 spectrum    1 weight  0.10000E+01 volume  0.16640E-02 ppm1      0.739 ppm2      7.488 CV     1
 OR { 1215}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 30   and name HN  ))
 OR { 1215}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 4    and name HE22))
 ASSI { 1216}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 26   and name HN  ))
      2.200     0.600     0.600 peak  1216 spectrum    1 weight  0.10000E+01 volume  0.61117E-02 ppm1      0.928 ppm2      7.486 CV     1
 OR { 1216}
   (  segid "    " and resid 8    and name HG1%)
   (( segid "    " and resid 4    and name HE22))
 OR { 1216}
   (  segid "    " and resid 56   and name HG2%)
   (  segid "    " and resid 54   and name HD% )
 OR { 1216}
   (  segid "    " and resid 8    and name HG1%)
   (( segid "    " and resid 26   and name HN  ))
 ASSI { 1217}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      5.400     3.700     0.600 peak  1217 spectrum    1 weight  0.10000E+01 volume  0.17219E-03 ppm1      3.539 ppm2      7.749 CV     1
 OR { 1217}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
 ASSI { 1219}
   (  segid "    " and resid 8    and name HG1%)
   (( segid "    " and resid 9    and name HN  ))
      3.600     1.600     1.600 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.14988E-02 ppm1      0.930 ppm2      7.744 CV     1
 OR { 1219}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 25   and name HN  ))
 OR { 1219}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 79   and name HN  ))
 OR { 1219}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 80   and name HE22))
 OR { 1219}
   (  segid "    " and resid 23   and name HG1%)
   (( segid "    " and resid 25   and name HN  ))
 ASSI { 1220}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 11   and name HN  ))
      3.400     1.400     1.400 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.31703E-03 ppm1      0.741 ppm2      9.235 CV     1
 OR { 1220}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 24   and name HN  ))
 ASSI { 1226}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 8    and name HN  ))
      5.400     3.700     0.600 peak  1226 spectrum    1 weight  0.10000E+01 volume  0.17528E-03 ppm1      0.736 ppm2      8.393 CV     1
 OR { 1226}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 29   and name HN  ))
 OR { 1226}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 7    and name HN  ))
 ASSI { 1227}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 8    and name HN  ))
      5.600     4.000     0.400 peak  1227 spectrum    1 weight  0.10000E+01 volume  0.14628E-03 ppm1      0.732 ppm2      8.363 CV     1
 OR { 1227}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 29   and name HN  ))
 OR { 1227}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 71   and name HN  ))
 OR { 1227}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 7    and name HN  ))
 ASSI { 1228}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 15   and name HN  ))
      4.400     2.400     1.600 peak  1228 spectrum    1 weight  0.10000E+01 volume  0.59107E-03 ppm1      0.926 ppm2      8.822 CV     1
 OR { 1228}
   (  segid "    " and resid 8    and name HG1%)
   (( segid "    " and resid 15   and name HN  ))
 ASSI { 1241}
   (( segid "    " and resid 30   and name HD1 ))
   (( segid "    " and resid 35   and name HB2 ))
      4.300     2.300     1.700 peak  1241 spectrum    1 weight  0.10000E+01 volume  0.11784E-02 ppm1      1.570 ppm2      2.713 CV     1
 OR { 1241}
   (( segid "    " and resid 7    and name HG11))
   (( segid "    " and resid 80   and name HG1 ))
 OR { 1241}
   (( segid "    " and resid 7    and name HG11))
   (( segid "    " and resid 54   and name HB2 ))
 ASSI { 1244}
   (( segid "    " and resid 30   and name HD2 ))
   (( segid "    " and resid 30   and name HE1 ))
      2.800     1.000     1.000 peak  1244 spectrum    1 weight  0.10000E+01 volume  0.22727E-02 ppm1      1.475 ppm2      3.012 CV     1
 OR { 1244}
   (( segid "    " and resid 30   and name HD2 ))
   (( segid "    " and resid 35   and name HB1 ))
 ASSI { 1245}
   (( segid "    " and resid 30   and name HD1 ))
   (( segid "    " and resid 30   and name HA  ))
      2.600     0.900     0.900 peak  1245 spectrum    1 weight  0.10000E+01 volume  0.27969E-02 ppm1      1.571 ppm2      4.398 CV     1
 OR { 1245}
   (( segid "    " and resid 7    and name HG11))
   (( segid "    " and resid 3    and name HA  ))
 ASSI { 1248}
   (( segid "    " and resid 30   and name HD2 ))
   (( segid "    " and resid 30   and name HB1 ))
      3.100     1.200     1.200 peak  1248 spectrum    1 weight  0.10000E+01 volume  0.13141E-02 ppm1      1.472 ppm2      2.060 CV     1
 OR { 1248}
   (( segid "    " and resid 30   and name HD2 ))
   (( segid "    " and resid 27   and name HB1 ))
 ASSI { 1249}
   (( segid "    " and resid 30   and name HD1 ))
   (( segid "    " and resid 30   and name HG1 ))
      2.500     0.800     0.800 peak  1249 spectrum    1 weight  0.10000E+01 volume  0.38253E-02 ppm1      1.573 ppm2      1.802 CV     1
 OR { 1249}
   (( segid "    " and resid 7    and name HG11))
   (( segid "    " and resid 7    and name HB  ))
 OR { 1249}
   (( segid "    " and resid 7    and name HG11))
   (( segid "    " and resid 76   and name HB  ))
 ASSI { 1261}
   (( segid "    " and resid 74   and name HD1 ))
   (( segid "    " and resid 74   and name HE1 ))
      2.700     0.900     0.900 peak  1261 spectrum    1 weight  0.10000E+01 volume  0.32615E-02 ppm1      1.741 ppm2      3.060 CV     1
 OR { 1261}
   (( segid "    " and resid 67   and name HD1 ))
   (( segid "    " and resid 67   and name HE1 ))
 OR { 1261}
   (( segid "    " and resid 27   and name HD1 ))
   (( segid "    " and resid 27   and name HE1 ))
 OR { 1261}
   (( segid "    " and resid 67   and name HD2 ))
   (( segid "    " and resid 67   and name HE2 ))
 OR { 1261}
   (( segid "    " and resid 27   and name HD1 ))
   (( segid "    " and resid 27   and name HE2 ))
 OR { 1261}
   (( segid "    " and resid 74   and name HD1 ))
   (( segid "    " and resid 74   and name HE2 ))
 OR { 1261}
   (( segid "    " and resid 67   and name HD2 ))
   (( segid "    " and resid 67   and name HE1 ))
 OR { 1261}
   (( segid "    " and resid 67   and name HD1 ))
   (( segid "    " and resid 67   and name HE2 ))
 ASSI { 1262}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 27   and name HN  ))
      2.900     1.000     1.000 peak  1262 spectrum    1 weight  0.10000E+01 volume  0.27004E-02 ppm1      1.344 ppm2      6.354 CV     1
 OR { 1262}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 27   and name HN  ))
 OR { 1262}
   (( segid "    " and resid 27   and name HG1 ))
   (( segid "    " and resid 27   and name HN  ))
 ASSI { 1263}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 30   and name HE1 ))
      2.800     1.000     1.000 peak  1263 spectrum    1 weight  0.10000E+01 volume  0.30660E-02 ppm1      1.344 ppm2      3.034 CV     1
 OR { 1263}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 27   and name HE2 ))
 OR { 1263}
   (( segid "    " and resid 27   and name HG1 ))
   (( segid "    " and resid 27   and name HE2 ))
 OR { 1263}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 27   and name HE1 ))
 OR { 1263}
   (( segid "    " and resid 27   and name HG1 ))
   (( segid "    " and resid 27   and name HE1 ))
 OR { 1263}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 35   and name HB1 ))
 ASSI { 1264}
   (( segid "    " and resid 27   and name HG1 ))
   (( segid "    " and resid 27   and name HB1 ))
      2.300     0.700     0.700 peak  1264 spectrum    1 weight  0.10000E+01 volume  0.89063E-02 ppm1      1.342 ppm2      2.059 CV     1
 OR { 1264}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 30   and name HB1 ))
 OR { 1264}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 27   and name HB1 ))
 OR { 1264}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 27   and name HB1 ))
 ASSI { 1265}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 29   and name HN  ))
      4.600     2.600     1.400 peak  1265 spectrum    1 weight  0.10000E+01 volume  0.40421E-03 ppm1      1.335 ppm2      8.384 CV     1
 OR { 1265}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 29   and name HN  ))
 OR { 1265}
   (( segid "    " and resid 27   and name HG1 ))
   (( segid "    " and resid 29   and name HN  ))
 ASSI { 1267}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 30   and name HN  ))
      3.100     1.200     1.200 peak  1267 spectrum    1 weight  0.10000E+01 volume  0.19611E-02 ppm1      1.347 ppm2      7.499 CV     1
 OR { 1267}
   (( segid "    " and resid 27   and name HG1 ))
   (( segid "    " and resid 26   and name HN  ))
 OR { 1267}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 30   and name HN  ))
 OR { 1267}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 26   and name HN  ))
 OR { 1267}
   (( segid "    " and resid 27   and name HG1 ))
   (( segid "    " and resid 30   and name HN  ))
 ASSI { 1271}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 73   and name HN  ))
      5.400     3.600     0.600 peak  1271 spectrum    1 weight  0.10000E+01 volume  0.19251E-03 ppm1      3.584 ppm2      8.646 CV     1
 OR { 1271}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 68   and name HN  ))
 ASSI { 1273}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      3.600     1.600     1.600 peak  1273 spectrum    1 weight  0.10000E+01 volume  0.97792E-03 ppm1      3.580 ppm2      8.374 CV     1
 OR { 1273}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 71   and name HN  ))
 ASSI { 1276}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      3.700     1.700     1.700 peak  1276 spectrum    1 weight  0.10000E+01 volume  0.63556E-03 ppm1      3.585 ppm2      7.501 CV     1
 OR { 1276}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 4    and name HE22))
 ASSI { 1280}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
      3.900     1.900     1.900 peak  1280 spectrum    1 weight  0.10000E+01 volume  0.10126E-02 ppm1      1.468 ppm2      8.381 CV     1
 OR { 1280}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 71   and name HN  ))
 ASSI { 1282}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 29   and name HN  ))
      3.400     1.500     1.500 peak  1282 spectrum    1 weight  0.10000E+01 volume  0.15007E-02 ppm1      1.736 ppm2      8.381 CV     1
 OR { 1282}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 71   and name HN  ))
 ASSI { 1289}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 29   and name HA  ))
      4.900     3.000     1.100 peak  1289 spectrum    1 weight  0.10000E+01 volume  0.37102E-03 ppm1      1.756 ppm2      4.487 CV     1
 OR { 1289}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 71   and name HA  ))
 ASSI { 1290}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 29   and name HA  ))
      5.000     3.200     1.000 peak  1290 spectrum    1 weight  0.10000E+01 volume  0.22956E-03 ppm1      1.467 ppm2      4.487 CV     1
 OR { 1290}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 71   and name HA  ))
 ASSI { 1292}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 29   and name HA  ))
      5.800     4.300     0.200 peak  1292 spectrum    1 weight  0.10000E+01 volume  0.75350E-04 ppm1      3.580 ppm2      4.473 CV     1
 OR { 1292}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 71   and name HA  ))
 ASSI { 1299}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 27   and name HB1 ))
      4.400     2.400     1.600 peak  1299 spectrum    1 weight  0.10000E+01 volume  0.37947E-03 ppm1      3.581 ppm2      2.054 CV     1
 OR { 1299}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 30   and name HB1 ))
 ASSI { 1301}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 27   and name HB2 ))
      5.300     3.500     0.700 peak  1301 spectrum    1 weight  0.10000E+01 volume  0.14880E-03 ppm1      3.584 ppm2      1.577 CV     1
 OR { 1301}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 72   and name HB% )
 OR { 1301}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 30   and name HD1 ))
 ASSI { 1303}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
      4.600     2.700     1.400 peak  1303 spectrum    1 weight  0.10000E+01 volume  0.32655E-03 ppm1      3.584 ppm2      1.342 CV     1
 OR { 1303}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 30   and name HG2 ))
 OR { 1303}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 27   and name HG1 ))
 OR { 1303}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 27   and name HG2 ))
 ASSI { 1304}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 8    and name HG2%)
      3.900     1.900     1.900 peak  1304 spectrum    1 weight  0.10000E+01 volume  0.57280E-03 ppm1      3.580 ppm2      1.049 CV     1
 OR { 1304}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 68   and name HG2%)
 ASSI { 1305}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 28   and name HD2%)
      3.900     1.900     1.900 peak  1305 spectrum    1 weight  0.10000E+01 volume  0.14741E-02 ppm1      3.585 ppm2      0.911 CV     1
 OR { 1305}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 8    and name HG1%)
 ASSI { 1307}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 26   and name HG1%)
      5.300     3.400     0.700 peak  1307 spectrum    1 weight  0.10000E+01 volume  0.34824E-03 ppm1      3.577 ppm2      0.728 CV     1
 OR { 1307}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 36   and name HD2%)
 ASSI { 1311}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 69   and name HB  ))
      5.300     3.500     0.700 peak  1311 spectrum    1 weight  0.10000E+01 volume  0.22058E-03 ppm1      1.734 ppm2      2.271 CV     1
 OR { 1311}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 4    and name HG1 ))
 ASSI { 1312}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 27   and name HB1 ))
      4.100     2.100     1.900 peak  1312 spectrum    1 weight  0.10000E+01 volume  0.38648E-03 ppm1      1.727 ppm2      2.061 CV     1
 OR { 1312}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 4    and name HB2 ))
 ASSI { 1317}
   (( segid "    " and resid 28   and name HG  ))
   (( segid "    " and resid 70   and name HA1 ))
      5.200     3.400     0.800 peak  1317 spectrum    1 weight  0.10000E+01 volume  0.20999E-03 ppm1      1.766 ppm2      4.016 CV     1
 OR { 1317}
   (( segid "    " and resid 41   and name HG  ))
   (( segid "    " and resid 42   and name HB1 ))
 ASSI { 1319}
   (( segid "    " and resid 41   and name HG  ))
   (( segid "    " and resid 40   and name H28A))
      4.600     2.600     1.400 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.31600E-03 ppm1      1.762 ppm2      3.784 CV     1
 OR { 1319}
   (( segid "    " and resid 28   and name HG  ))
   (( segid "    " and resid 70   and name HA2 ))
 ASSI { 1321}
   (( segid "    " and resid 41   and name HG  ))
   (( segid "    " and resid 39   and name HA  ))
      4.300     2.300     1.700 peak  1321 spectrum    1 weight  0.10000E+01 volume  0.38327E-03 ppm1      1.764 ppm2      4.629 CV     1
 OR { 1321}
   (( segid "    " and resid 28   and name HG  ))
   (( segid "    " and resid 27   and name HA  ))
 ASSI { 1324}
   (( segid "    " and resid 28   and name HG  ))
   (( segid "    " and resid 69   and name HB  ))
      5.400     3.700     0.600 peak  1324 spectrum    1 weight  0.10000E+01 volume  0.22981E-03 ppm1      1.768 ppm2      2.285 CV     1
 OR { 1324}
   (( segid "    " and resid 41   and name HG  ))
   (( segid "    " and resid 45   and name HG2 ))
 OR { 1324}
   (( segid "    " and resid 41   and name HG  ))
   (( segid "    " and resid 43   and name HG2 ))
 ASSI { 1326}
   (( segid "    " and resid 28   and name HG  ))
   (  segid "    " and resid 8    and name HG2%)
      4.000     2.000     2.000 peak  1326 spectrum    1 weight  0.10000E+01 volume  0.87395E-03 ppm1      1.773 ppm2      1.048 CV     1
 OR { 1326}
   (( segid "    " and resid 28   and name HG  ))
   (  segid "    " and resid 68   and name HG2%)
 OR { 1326}
   (( segid "    " and resid 41   and name HG  ))
   (  segid "    " and resid 15   and name HG1%)
 ASSI { 1334}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 69   and name HA  ))
      5.000     3.100     1.000 peak  1334 spectrum    1 weight  0.10000E+01 volume  0.45433E-03 ppm1      0.810 ppm2      3.392 CV     1
 OR { 1334}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 8    and name HA  ))
 ASSI { 1335}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 29   and name HA  ))
      4.700     2.800     1.300 peak  1335 spectrum    1 weight  0.10000E+01 volume  0.20835E-03 ppm1      0.810 ppm2      4.498 CV     1
 OR { 1335}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 71   and name HA  ))
 ASSI { 1338}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 68   and name HB  ))
      5.300     3.600     0.700 peak  1338 spectrum    1 weight  0.10000E+01 volume  0.14320E-03 ppm1      0.812 ppm2      4.351 CV     1
 OR { 1338}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 30   and name HA  ))
 ASSI { 1345}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 4    and name HE21))
      4.600     2.700     1.400 peak  1345 spectrum    1 weight  0.10000E+01 volume  0.33763E-03 ppm1      0.810 ppm2      6.837 CV     1
 OR { 1345}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 32   and name HZ  ))
 ASSI { 1348}
   (  segid "    " and resid 28   and name HD2%)
   (( segid "    " and resid 4    and name HE22))
      4.200     2.200     1.800 peak  1348 spectrum    1 weight  0.10000E+01 volume  0.31725E-03 ppm1      0.908 ppm2      7.503 CV     1
 OR { 1348}
   (  segid "    " and resid 28   and name HD2%)
   (( segid "    " and resid 30   and name HN  ))
 ASSI { 1349}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 72   and name HN  ))
      6.000     6.000     0.000 peak  1349 spectrum    1 weight  0.10000E+01 volume  0.33787E-04 ppm1      0.812 ppm2      8.196 CV     1
 OR { 1349}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 32   and name HN  ))
 ASSI { 1350}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 69   and name HN  ))
      5.600     4.000     0.400 peak  1350 spectrum    1 weight  0.10000E+01 volume  0.22013E-03 ppm1      0.808 ppm2      8.144 CV     1
 OR { 1350}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 72   and name HN  ))
 ASSI { 1355}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 73   and name HN  ))
      5.000     3.100     1.000 peak  1355 spectrum    1 weight  0.10000E+01 volume  0.49825E-03 ppm1      0.810 ppm2      8.637 CV     1
 OR { 1355}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 68   and name HN  ))
 ASSI { 1358}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 29   and name HN  ))
      4.600     2.600     1.400 peak  1358 spectrum    1 weight  0.10000E+01 volume  0.50634E-03 ppm1      0.806 ppm2      8.363 CV     1
 OR { 1358}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 71   and name HN  ))
 ASSI { 1366}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 30   and name HN  ))
      3.200     1.300     1.300 peak  1366 spectrum    1 weight  0.10000E+01 volume  0.28308E-02 ppm1      2.055 ppm2      7.501 CV     1
 OR { 1366}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 26   and name HN  ))
 ASSI { 1370}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      2.800     1.000     1.000 peak  1370 spectrum    1 weight  0.10000E+01 volume  0.25151E-02 ppm1      4.400 ppm2      7.502 CV     1
 OR { 1370}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
 ASSI { 1372}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 35   and name HB1 ))
      2.900     1.100     1.100 peak  1372 spectrum    1 weight  0.10000E+01 volume  0.16868E-02 ppm1      4.400 ppm2      3.044 CV     1
 OR { 1372}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 35   and name HB1 ))
 OR { 1372}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HE1 ))
 ASSI { 1374}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 35   and name HB2 ))
      3.400     1.400     1.400 peak  1374 spectrum    1 weight  0.10000E+01 volume  0.92776E-03 ppm1      4.404 ppm2      2.723 CV     1
 OR { 1374}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 25   and name HB1 ))
 OR { 1374}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 35   and name HB2 ))
 ASSI { 1377}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HD1 ))
      2.400     0.700     0.700 peak  1377 spectrum    1 weight  0.10000E+01 volume  0.53069E-02 ppm1      4.400 ppm2      1.566 CV     1
 OR { 1377}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 27   and name HB2 ))
 ASSI { 1378}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HD2 ))
      2.600     0.800     0.800 peak  1378 spectrum    1 weight  0.10000E+01 volume  0.35512E-02 ppm1      4.399 ppm2      1.470 CV     1
 OR { 1378}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HG  ))
 OR { 1378}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 36   and name HG  ))
 ASSI { 1383}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 32   and name HA  ))
      5.000     3.200     1.000 peak  1383 spectrum    1 weight  0.10000E+01 volume  0.50406E-03 ppm1      4.400 ppm2      4.124 CV     1
 OR { 1383}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 31   and name HB1 ))
 OR { 1383}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 32   and name HA  ))
 ASSI { 1387}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      6.000     4.700     0.000 peak  1387 spectrum    1 weight  0.10000E+01 volume  0.19347E-03 ppm1      4.400 ppm2      6.346 CV     1
 OR { 1387}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
 ASSI { 1388}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 35   and name HB1 ))
      2.700     0.900     0.900 peak  1388 spectrum    1 weight  0.10000E+01 volume  0.96508E-03 ppm1      2.053 ppm2      3.037 CV     1
 OR { 1388}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 30   and name HE1 ))
 ASSI { 1389}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 35   and name HB1 ))
      3.700     1.700     1.700 peak  1389 spectrum    1 weight  0.10000E+01 volume  0.14952E-02 ppm1      1.384 ppm2      3.040 CV     1
 OR { 1389}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HE1 ))
 ASSI { 1390}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 35   and name HB2 ))
      4.600     2.600     1.400 peak  1390 spectrum    1 weight  0.10000E+01 volume  0.99998E-03 ppm1      1.383 ppm2      2.715 CV     1
 OR { 1390}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 25   and name HB1 ))
 ASSI { 1391}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 35   and name HB2 ))
      4.200     2.200     1.800 peak  1391 spectrum    1 weight  0.10000E+01 volume  0.55051E-03 ppm1      2.052 ppm2      2.716 CV     1
 OR { 1391}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 25   and name HB1 ))
 ASSI { 1392}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 26   and name HA  ))
      4.700     2.700     1.300 peak  1392 spectrum    1 weight  0.10000E+01 volume  0.19752E-03 ppm1      1.391 ppm2      3.568 CV     1
 OR { 1392}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 28   and name HA  ))
 ASSI { 1393}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 30   and name HA  ))
      2.800     1.000     1.000 peak  1393 spectrum    1 weight  0.10000E+01 volume  0.16510E-02 ppm1      2.054 ppm2      4.397 CV     1
 OR { 1393}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 36   and name HA  ))
 ASSI { 1394}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 36   and name HB1 ))
      4.500     2.500     1.500 peak  1394 spectrum    1 weight  0.10000E+01 volume  0.60254E-03 ppm1      2.044 ppm2      2.289 CV     1
 OR { 1394}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 69   and name HB  ))
 OR { 1394}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 26   and name HB  ))
 ASSI { 1395}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 69   and name HB  ))
      4.200     2.200     1.800 peak  1395 spectrum    1 weight  0.10000E+01 volume  0.35158E-03 ppm1      1.380 ppm2      2.278 CV     1
 OR { 1395}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 36   and name HB1 ))
 ASSI { 1396}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HB1 ))
      1.600     0.300     0.600 peak  1396 spectrum    1 weight  0.10000E+01 volume  0.81147E-02 ppm1      1.383 ppm2      2.052 CV     1
 OR { 1396}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 27   and name HB1 ))
 ASSI { 1398}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 30   and name HD1 ))
      3.200     1.300     1.300 peak  1398 spectrum    1 weight  0.10000E+01 volume  0.19152E-02 ppm1      2.054 ppm2      1.570 CV     1
 OR { 1398}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 27   and name HB2 ))
 ASSI { 1402}
   (( segid "    " and resid 30   and name HB1 ))
   (  segid "    " and resid 36   and name HD1%)
      3.600     1.600     1.600 peak  1402 spectrum    1 weight  0.10000E+01 volume  0.99002E-03 ppm1      2.057 ppm2      0.605 CV     1
 OR { 1402}
   (( segid "    " and resid 30   and name HB1 ))
   (  segid "    " and resid 69   and name HG2%)
 ASSI { 1408}
   (( segid "    " and resid 30   and name HG1 ))
   (( segid "    " and resid 26   and name HA  ))
      4.400     2.400     1.600 peak  1408 spectrum    1 weight  0.10000E+01 volume  0.62844E-03 ppm1      1.808 ppm2      3.539 CV     1
 OR { 1408}
   (( segid "    " and resid 30   and name HG1 ))
   (( segid "    " and resid 28   and name HA  ))
 ASSI { 1409}
   (( segid "    " and resid 30   and name HG1 ))
   (( segid "    " and resid 30   and name HE1 ))
      2.900     1.100     1.100 peak  1409 spectrum    1 weight  0.10000E+01 volume  0.19580E-02 ppm1      1.809 ppm2      3.004 CV     1
 OR { 1409}
   (( segid "    " and resid 30   and name HG1 ))
   (( segid "    " and resid 35   and name HB1 ))
 OR { 1409}
   (( segid "    " and resid 66   and name HG  ))
   (( segid "    " and resid 65   and name HB1 ))
 ASSI { 1410}
   (( segid "    " and resid 66   and name HG  ))
   (( segid "    " and resid 65   and name HB2 ))
      3.700     1.700     1.700 peak  1410 spectrum    1 weight  0.10000E+01 volume  0.57011E-03 ppm1      1.806 ppm2      2.713 CV     1
 OR { 1410}
   (( segid "    " and resid 30   and name HG1 ))
   (( segid "    " and resid 35   and name HB2 ))
 OR { 1410}
   (( segid "    " and resid 30   and name HG1 ))
   (( segid "    " and resid 25   and name HB1 ))
 ASSI { 1412}
   (( segid "    " and resid 30   and name HG1 ))
   (( segid "    " and resid 30   and name HB1 ))
      2.400     0.700     0.700 peak  1412 spectrum    1 weight  0.10000E+01 volume  0.39764E-02 ppm1      1.805 ppm2      2.052 CV     1
 OR { 1412}
   (( segid "    " and resid 30   and name HG1 ))
   (( segid "    " and resid 27   and name HB1 ))
 OR { 1412}
   (( segid "    " and resid 66   and name HG  ))
   (( segid "    " and resid 63   and name HB  ))
 ASSI { 1413}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 35   and name HB2 ))
      4.800     2.900     1.200 peak  1413 spectrum    1 weight  0.10000E+01 volume  0.54183E-03 ppm1      1.344 ppm2      2.709 CV     1
 OR { 1413}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 25   and name HB1 ))
 OR { 1413}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 25   and name HB1 ))
 OR { 1413}
   (( segid "    " and resid 27   and name HG1 ))
   (( segid "    " and resid 25   and name HB1 ))
 ASSI { 1414}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 26   and name HA  ))
      4.300     2.300     1.700 peak  1414 spectrum    1 weight  0.10000E+01 volume  0.69572E-03 ppm1      1.347 ppm2      3.538 CV     1
 OR { 1414}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 26   and name HA  ))
 OR { 1414}
   (( segid "    " and resid 27   and name HG1 ))
   (( segid "    " and resid 26   and name HA  ))
 OR { 1414}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 28   and name HA  ))
 OR { 1414}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 28   and name HA  ))
 ASSI { 1415}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 30   and name HA  ))
      3.400     1.400     1.400 peak  1415 spectrum    1 weight  0.10000E+01 volume  0.14515E-02 ppm1      1.347 ppm2      4.396 CV     1
 OR { 1415}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 36   and name HA  ))
 OR { 1415}
   (( segid "    " and resid 27   and name HG1 ))
   (( segid "    " and resid 30   and name HA  ))
 ASSI { 1416}
   (( segid "    " and resid 30   and name HG1 ))
   (( segid "    " and resid 30   and name HA  ))
      3.300     1.400     1.400 peak  1416 spectrum    1 weight  0.10000E+01 volume  0.12990E-02 ppm1      1.804 ppm2      4.401 CV     1
 OR { 1416}
   (( segid "    " and resid 30   and name HG1 ))
   (( segid "    " and resid 36   and name HA  ))
 ASSI { 1417}
   (( segid "    " and resid 30   and name HG1 ))
   (( segid "    " and resid 30   and name HN  ))
      3.900     1.900     1.900 peak  1417 spectrum    1 weight  0.10000E+01 volume  0.10950E-02 ppm1      1.810 ppm2      7.498 CV     1
 OR { 1417}
   (( segid "    " and resid 30   and name HG1 ))
   (( segid "    " and resid 26   and name HN  ))
 ASSI { 1419}
   (( segid "    " and resid 30   and name HG1 ))
   (( segid "    " and resid 30   and name HD1 ))
      2.700     0.900     0.900 peak  1419 spectrum    1 weight  0.10000E+01 volume  0.53786E-02 ppm1      1.804 ppm2      1.561 CV     1
 OR { 1419}
   (( segid "    " and resid 30   and name HG1 ))
   (( segid "    " and resid 27   and name HB2 ))
 OR { 1419}
   (( segid "    " and resid 66   and name HG  ))
   (  segid "    " and resid 72   and name HB% )
 ASSI { 1420}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 27   and name HB2 ))
      2.000     0.500     0.500 peak  1420 spectrum    1 weight  0.10000E+01 volume  0.93704E-02 ppm1      1.346 ppm2      1.551 CV     1
 OR { 1420}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 27   and name HB2 ))
 OR { 1420}
   (( segid "    " and resid 27   and name HG1 ))
   (( segid "    " and resid 27   and name HB2 ))
 OR { 1420}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 30   and name HD1 ))
 ASSI { 1421}
   (( segid "    " and resid 30   and name HG2 ))
   (  segid "    " and resid 36   and name HD1%)
      5.400     3.700     0.600 peak  1421 spectrum    1 weight  0.10000E+01 volume  0.20833E-03 ppm1      1.355 ppm2      0.606 CV     1
 OR { 1421}
   (( segid "    " and resid 27   and name HG1 ))
   (  segid "    " and resid 69   and name HG2%)
 OR { 1421}
   (( segid "    " and resid 30   and name HG2 ))
   (  segid "    " and resid 69   and name HG2%)
 OR { 1421}
   (( segid "    " and resid 27   and name HG2 ))
   (  segid "    " and resid 69   and name HG2%)
 OR { 1421}
   (( segid "    " and resid 27   and name HG1 ))
   (  segid "    " and resid 36   and name HD1%)
 ASSI { 1422}
   (( segid "    " and resid 30   and name HG2 ))
   (  segid "    " and resid 69   and name HG1%)
      4.800     2.900     1.200 peak  1422 spectrum    1 weight  0.10000E+01 volume  0.41555E-03 ppm1      1.347 ppm2      0.446 CV     1
 OR { 1422}
   (( segid "    " and resid 27   and name HG2 ))
   (  segid "    " and resid 69   and name HG1%)
 OR { 1422}
   (( segid "    " and resid 27   and name HG1 ))
   (  segid "    " and resid 69   and name HG1%)
 ASSI { 1423}
   (( segid "    " and resid 66   and name HG  ))
   (  segid "    " and resid 66   and name HD2%)
      2.400     0.700     0.700 peak  1423 spectrum    1 weight  0.10000E+01 volume  0.41069E-02 ppm1      1.798 ppm2      0.601 CV     1
 OR { 1423}
   (( segid "    " and resid 30   and name HG1 ))
   (  segid "    " and resid 36   and name HD1%)
 OR { 1423}
   (( segid "    " and resid 30   and name HG1 ))
   (  segid "    " and resid 69   and name HG2%)
 ASSI { 1431}
   (( segid "    " and resid 31   and name HB1 ))
   (  segid "    " and resid 68   and name HG2%)
      3.200     1.300     1.300 peak  1431 spectrum    1 weight  0.10000E+01 volume  0.19896E-02 ppm1      4.100 ppm2      1.059 CV     1
 OR { 1431}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 68   and name HG2%)
 ASSI { 1433}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 36   and name HG  ))
      2.600     0.900     0.900 peak  1433 spectrum    1 weight  0.10000E+01 volume  0.19515E-02 ppm1      4.093 ppm2      1.463 CV     1
 OR { 1433}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 43   and name HE% )
 ASSI { 1434}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 36   and name HG  ))
      5.300     3.500     0.700 peak  1434 spectrum    1 weight  0.10000E+01 volume  0.24855E-03 ppm1      3.858 ppm2      1.462 CV     1
 OR { 1434}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 67   and name HG2 ))
 OR { 1434}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 30   and name HD2 ))
 ASSI { 1438}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 67   and name HB2 ))
      5.100     3.300     0.900 peak  1438 spectrum    1 weight  0.10000E+01 volume  0.20649E-03 ppm1      3.864 ppm2      2.060 CV     1
 OR { 1438}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 30   and name HB1 ))
 OR { 1438}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 67   and name HB1 ))
 ASSI { 1440}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 67   and name HB2 ))
      4.200     2.200     1.800 peak  1440 spectrum    1 weight  0.10000E+01 volume  0.55896E-03 ppm1      4.104 ppm2      2.048 CV     1
 OR { 1440}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 30   and name HB1 ))
 OR { 1440}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 67   and name HB1 ))
 OR { 1440}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 30   and name HB1 ))
 ASSI { 1441}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 36   and name HB1 ))
      3.000     1.100     1.100 peak  1441 spectrum    1 weight  0.10000E+01 volume  0.59852E-02 ppm1      4.088 ppm2      2.298 CV     1
 OR { 1441}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 69   and name HB  ))
 OR { 1441}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 40   and name H2A ))
 OR { 1441}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 40   and name H2B ))
 OR { 1441}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 26   and name HB  ))
 ASSI { 1443}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 34   and name HB1 ))
      3.100     1.200     1.200 peak  1443 spectrum    1 weight  0.10000E+01 volume  0.11972E-02 ppm1      4.099 ppm2      2.764 CV     1
 OR { 1443}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 35   and name HB2 ))
 ASSI { 1444}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 35   and name HB1 ))
      4.500     2.600     1.500 peak  1444 spectrum    1 weight  0.10000E+01 volume  0.76273E-03 ppm1      4.096 ppm2      3.061 CV     1
 OR { 1444}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 35   and name HB1 ))
 OR { 1444}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 37   and name HB1 ))
 ASSI { 1451}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 33   and name HA  ))
      5.100     3.300     0.900 peak  1451 spectrum    1 weight  0.10000E+01 volume  0.24372E-03 ppm1      3.873 ppm2      4.491 CV     1
 OR { 1451}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 29   and name HA  ))
 OR { 1451}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 67   and name HA  ))
 ASSI { 1452}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 30   and name HA  ))
      4.300     2.300     1.700 peak  1452 spectrum    1 weight  0.10000E+01 volume  0.10036E-02 ppm1      3.867 ppm2      4.392 CV     1
 OR { 1452}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 68   and name HB  ))
 ASSI { 1453}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 36   and name HA  ))
      4.300     2.300     1.700 peak  1453 spectrum    1 weight  0.10000E+01 volume  0.14154E-02 ppm1      4.096 ppm2      4.388 CV     1
 OR { 1453}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 30   and name HA  ))
 OR { 1453}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 68   and name HB  ))
 OR { 1453}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 37   and name HA  ))
 OR { 1453}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 30   and name HA  ))
 ASSI { 1454}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 33   and name HA  ))
      4.200     2.200     1.800 peak  1454 spectrum    1 weight  0.10000E+01 volume  0.48889E-03 ppm1      4.094 ppm2      4.491 CV     1
 OR { 1454}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 33   and name HA  ))
 OR { 1454}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 67   and name HA  ))
 OR { 1454}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 67   and name HA  ))
 OR { 1454}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 29   and name HA  ))
 ASSI { 1455}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB1 ))
      2.400     0.700     0.700 peak  1455 spectrum    1 weight  0.10000E+01 volume  0.32606E-02 ppm1      4.918 ppm2      4.098 CV     1
 OR { 1455}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 32   and name HA  ))
 ASSI { 1457}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 32   and name HB2 ))
      4.800     2.800     1.200 peak  1457 spectrum    1 weight  0.10000E+01 volume  0.44884E-03 ppm1      4.917 ppm2      3.162 CV     1
 OR { 1457}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 32   and name HB1 ))
 OR { 1457}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 71   and name HB1 ))
 ASSI { 1461}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 35   and name HN  ))
      3.400     1.500     1.500 peak  1461 spectrum    1 weight  0.10000E+01 volume  0.12628E-02 ppm1      4.102 ppm2      7.714 CV     1
 OR { 1461}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
 ASSI { 1463}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      3.300     1.300     1.300 peak  1463 spectrum    1 weight  0.10000E+01 volume  0.12948E-02 ppm1      4.087 ppm2      7.448 CV     1
 OR { 1463}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 36   and name HN  ))
 ASSI { 1469}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      2.600     0.800     0.800 peak  1469 spectrum    1 weight  0.10000E+01 volume  0.26282E-02 ppm1      4.091 ppm2      8.222 CV     1
 OR { 1469}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 32   and name HN  ))
 ASSI { 1471}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      4.200     2.200     1.800 peak  1471 spectrum    1 weight  0.10000E+01 volume  0.38405E-03 ppm1      4.097 ppm2      7.966 CV     1
 OR { 1471}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 34   and name HN  ))
 ASSI { 1473}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      3.300     1.400     1.400 peak  1473 spectrum    1 weight  0.10000E+01 volume  0.11287E-02 ppm1      4.090 ppm2      8.645 CV     1
 OR { 1473}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 33   and name HN  ))
 OR { 1473}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 68   and name HN  ))
 ASSI { 1478}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 38   and name HG2%)
      3.600     1.600     1.600 peak  1478 spectrum    1 weight  0.10000E+01 volume  0.22494E-02 ppm1      4.088 ppm2      0.947 CV     1
 OR { 1478}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 38   and name HG1%)
 OR { 1478}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 26   and name HG2%)
 OR { 1478}
   (( segid "    " and resid 31   and name HB1 ))
   (  segid "    " and resid 38   and name HG1%)
 ASSI { 1479}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 36   and name HD2%)
      4.300     2.300     1.700 peak  1479 spectrum    1 weight  0.10000E+01 volume  0.11397E-02 ppm1      4.086 ppm2      0.776 CV     1
 OR { 1479}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 26   and name HG1%)
 ASSI { 1480}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 36   and name HD1%)
      2.100     0.600     0.600 peak  1480 spectrum    1 weight  0.10000E+01 volume  0.57920E-02 ppm1      4.088 ppm2      0.602 CV     1
 OR { 1480}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 69   and name HG2%)
 ASSI { 1482}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 69   and name HG1%)
      5.200     3.300     0.800 peak  1482 spectrum    1 weight  0.10000E+01 volume  0.40250E-03 ppm1      4.090 ppm2      0.439 CV     1
 OR { 1482}
   (( segid "    " and resid 31   and name HB1 ))
   (  segid "    " and resid 69   and name HG1%)
 ASSI { 1485}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 36   and name HB2 ))
      2.200     0.600     0.600 peak  1485 spectrum    1 weight  0.10000E+01 volume  0.31014E-02 ppm1      4.086 ppm2      1.617 CV     1
 OR { 1485}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 21   and name HB  ))
 OR { 1485}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 67   and name HG1 ))
 ASSI { 1486}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 21   and name HG12))
      4.700     2.800     1.300 peak  1486 spectrum    1 weight  0.10000E+01 volume  0.41578E-03 ppm1      4.089 ppm2      1.274 CV     1
 OR { 1486}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 33   and name HG2%)
 OR { 1486}
   (( segid "    " and resid 31   and name HB1 ))
   (  segid "    " and resid 33   and name HG2%)
 OR { 1486}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 21   and name HG11))
 ASSI { 1488}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 15   and name HG2%)
      5.100     3.200     0.900 peak  1488 spectrum    1 weight  0.10000E+01 volume  0.39731E-03 ppm1      4.084 ppm2      1.188 CV     1
 OR { 1488}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 40   and name H3A ))
 ASSI { 1489}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 32   and name HA  ))
      2.200     0.600     0.600 peak  1489 spectrum    1 weight  0.10000E+01 volume  0.59975E-02 ppm1      3.161 ppm2      4.088 CV     1
 OR { 1489}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 72   and name HA  ))
 OR { 1489}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HA  ))
 ASSI { 1490}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 38   and name HA  ))
      4.900     3.000     1.100 peak  1490 spectrum    1 weight  0.10000E+01 volume  0.45829E-03 ppm1      3.163 ppm2      3.957 CV     1
 OR { 1490}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 74   and name HA  ))
 OR { 1490}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 38   and name HA  ))
 OR { 1490}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 43   and name HA  ))
 OR { 1490}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 43   and name HA  ))
 ASSI { 1493}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 33   and name HA  ))
      4.400     2.400     1.600 peak  1493 spectrum    1 weight  0.10000E+01 volume  0.43416E-03 ppm1      3.163 ppm2      4.482 CV     1
 OR { 1493}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 67   and name HA  ))
 OR { 1493}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 33   and name HA  ))
 OR { 1493}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 67   and name HA  ))
 ASSI { 1498}
   (( segid "    " and resid 32   and name HB2 ))
   (  segid "    " and resid 32   and name HE% )
      3.900     1.900     1.900 peak  1498 spectrum    1 weight  0.10000E+01 volume  0.12140E-02 ppm1      3.160 ppm2      6.986 CV     1
 OR { 1498}
   (( segid "    " and resid 32   and name HB1 ))
   (  segid "    " and resid 32   and name HE% )
 OR { 1498}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 79   and name HD2 ))
 ASSI { 1499}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 38   and name HN  ))
      4.200     2.200     1.800 peak  1499 spectrum    1 weight  0.10000E+01 volume  0.71134E-03 ppm1      3.163 ppm2      8.071 CV     1
 OR { 1499}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 74   and name HN  ))
 OR { 1499}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 38   and name HN  ))
 ASSI { 1504}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      4.600     2.600     1.400 peak  1504 spectrum    1 weight  0.10000E+01 volume  0.38074E-03 ppm1      4.088 ppm2      8.097 CV     1
 OR { 1504}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 69   and name HN  ))
 OR { 1504}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 69   and name HN  ))
 ASSI { 1506}
   (  segid "    " and resid 32   and name HD% )
   (( segid "    " and resid 40   and name H43A))
      5.300     3.600     0.700 peak  1506 spectrum    1 weight  0.10000E+01 volume  0.20493E-03 ppm1      7.192 ppm2      2.800 CV     1
 OR { 1506}
   (  segid "    " and resid 32   and name HD% )
   (( segid "    " and resid 40   and name H43B))
 OR { 1506}
   (  segid "    " and resid 32   and name HD% )
   (( segid "    " and resid 34   and name HB1 ))
 ASSI { 1509}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 15   and name HB  ))
      4.300     2.300     1.700 peak  1509 spectrum    1 weight  0.10000E+01 volume  0.54740E-03 ppm1      6.989 ppm2      2.255 CV     1
 OR { 1509}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 69   and name HB  ))
 OR { 1509}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 40   and name H2B ))
 OR { 1509}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 36   and name HB1 ))
 OR { 1509}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 40   and name H2A ))
 OR { 1509}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 46   and name HB  ))
 ASSI { 1511}
   (  segid "    " and resid 32   and name HE% )
   (  segid "    " and resid 72   and name HB% )
      3.100     1.200     1.200 peak  1511 spectrum    1 weight  0.10000E+01 volume  0.26840E-02 ppm1      6.987 ppm2      1.589 CV     1
 OR { 1511}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 21   and name HB  ))
 OR { 1511}
   (  segid "    " and resid 32   and name HE% )
   (  segid "    " and resid 19   and name HB% )
 OR { 1511}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 36   and name HB2 ))
 ASSI { 1512}
   (  segid "    " and resid 32   and name HE% )
   (  segid "    " and resid 15   and name HG2%)
      2.300     0.700     0.700 peak  1512 spectrum    1 weight  0.10000E+01 volume  0.20973E-02 ppm1      6.988 ppm2      1.176 CV     1
 OR { 1512}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 40   and name H3A ))
 ASSI { 1513}
   (  segid "    " and resid 32   and name HE% )
   (  segid "    " and resid 15   and name HG1%)
      3.000     1.200     1.200 peak  1513 spectrum    1 weight  0.10000E+01 volume  0.10719E-02 ppm1      6.988 ppm2      0.984 CV     1
 OR { 1513}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 40   and name H5A ))
 OR { 1513}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 40   and name H5B ))
 OR { 1513}
   (  segid "    " and resid 32   and name HE% )
   (  segid "    " and resid 21   and name HG2%)
 OR { 1513}
   (  segid "    " and resid 32   and name HE% )
   (  segid "    " and resid 38   and name HG1%)
 OR { 1513}
   (  segid "    " and resid 32   and name HE% )
   (  segid "    " and resid 46   and name HG2%)
 ASSI { 1514}
   (  segid "    " and resid 32   and name HE% )
   (  segid "    " and resid 11   and name HD1%)
      3.300     1.400     1.400 peak  1514 spectrum    1 weight  0.10000E+01 volume  0.13423E-02 ppm1      6.988 ppm2      0.866 CV     1
 OR { 1514}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 40   and name H4B ))
 OR { 1514}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 40   and name H4A ))
 OR { 1514}
   (  segid "    " and resid 32   and name HE% )
   (  segid "    " and resid 11   and name HD2%)
 OR { 1514}
   (  segid "    " and resid 32   and name HE% )
   (  segid "    " and resid 21   and name HD1%)
 OR { 1514}
   (  segid "    " and resid 32   and name HE% )
   (  segid "    " and resid 8    and name HG1%)
 ASSI { 1516}
   (  segid "    " and resid 32   and name HE% )
   (  segid "    " and resid 36   and name HD1%)
      3.100     1.200     1.200 peak  1516 spectrum    1 weight  0.10000E+01 volume  0.12364E-02 ppm1      6.987 ppm2      0.653 CV     1
 OR { 1516}
   (  segid "    " and resid 32   and name HE% )
   (  segid "    " and resid 69   and name HG2%)
 OR { 1516}
   (  segid "    " and resid 32   and name HE% )
   (  segid "    " and resid 40   and name H6% )
 OR { 1516}
   (  segid "    " and resid 32   and name HE% )
   (  segid "    " and resid 46   and name HG1%)
 ASSI { 1518}
   (  segid "    " and resid 32   and name HE% )
   (  segid "    " and resid 43   and name HE% )
      4.300     2.300     1.700 peak  1518 spectrum    1 weight  0.10000E+01 volume  0.33735E-03 ppm1      6.985 ppm2      1.456 CV     1
 OR { 1518}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 36   and name HG  ))
 OR { 1518}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 28   and name HB2 ))
 ASSI { 1524}
   (  segid "    " and resid 32   and name HD% )
   (( segid "    " and resid 40   and name H2B ))
      4.000     2.000     2.000 peak  1524 spectrum    1 weight  0.10000E+01 volume  0.89318E-03 ppm1      7.192 ppm2      2.280 CV     1
 OR { 1524}
   (  segid "    " and resid 32   and name HD% )
   (( segid "    " and resid 36   and name HB1 ))
 OR { 1524}
   (  segid "    " and resid 32   and name HD% )
   (( segid "    " and resid 40   and name H2A ))
 OR { 1524}
   (  segid "    " and resid 32   and name HD% )
   (( segid "    " and resid 69   and name HB  ))
 OR { 1524}
   (  segid "    " and resid 32   and name HD% )
   (( segid "    " and resid 15   and name HB  ))
 OR { 1524}
   (  segid "    " and resid 32   and name HD% )
   (( segid "    " and resid 43   and name HG2 ))
 ASSI { 1526}
   (  segid "    " and resid 32   and name HD% )
   (  segid "    " and resid 43   and name HE% )
      3.400     1.500     1.500 peak  1526 spectrum    1 weight  0.10000E+01 volume  0.81809E-03 ppm1      7.195 ppm2      1.451 CV     1
 OR { 1526}
   (  segid "    " and resid 32   and name HD% )
   (( segid "    " and resid 36   and name HG  ))
 ASSI { 1527}
   (  segid "    " and resid 32   and name HD% )
   (( segid "    " and resid 40   and name H3A ))
      3.100     1.200     1.200 peak  1527 spectrum    1 weight  0.10000E+01 volume  0.84938E-03 ppm1      7.192 ppm2      1.178 CV     1
 OR { 1527}
   (  segid "    " and resid 32   and name HD% )
   (  segid "    " and resid 15   and name HG2%)
 ASSI { 1528}
   (  segid "    " and resid 32   and name HD% )
   (  segid "    " and resid 38   and name HG1%)
      3.300     1.400     1.400 peak  1528 spectrum    1 weight  0.10000E+01 volume  0.26758E-02 ppm1      7.193 ppm2      0.942 CV     1
 OR { 1528}
   (  segid "    " and resid 32   and name HD% )
   (  segid "    " and resid 38   and name HG2%)
 OR { 1528}
   (  segid "    " and resid 32   and name HD% )
   (  segid "    " and resid 26   and name HG2%)
 OR { 1528}
   (  segid "    " and resid 32   and name HD% )
   (( segid "    " and resid 40   and name H5A ))
 OR { 1528}
   (  segid "    " and resid 32   and name HD% )
   (( segid "    " and resid 40   and name H5B ))
 OR { 1528}
   (  segid "    " and resid 32   and name HD% )
   (  segid "    " and resid 63   and name HG2%)
 ASSI { 1529}
   (  segid "    " and resid 32   and name HD% )
   (  segid "    " and resid 26   and name HG1%)
      5.300     3.500     0.700 peak  1529 spectrum    1 weight  0.10000E+01 volume  0.25793E-03 ppm1      7.191 ppm2      0.771 CV     1
 OR { 1529}
   (  segid "    " and resid 32   and name HD% )
   (  segid "    " and resid 36   and name HD2%)
 OR { 1529}
   (  segid "    " and resid 32   and name HD% )
   (  segid "    " and resid 63   and name HG1%)
 ASSI { 1530}
   (  segid "    " and resid 32   and name HD% )
   (  segid "    " and resid 36   and name HD1%)
      2.800     1.000     1.000 peak  1530 spectrum    1 weight  0.10000E+01 volume  0.16278E-02 ppm1      7.192 ppm2      0.602 CV     1
 OR { 1530}
   (  segid "    " and resid 32   and name HD% )
   (  segid "    " and resid 69   and name HG2%)
 OR { 1530}
   (  segid "    " and resid 32   and name HD% )
   (  segid "    " and resid 40   and name H6% )
 ASSI { 1531}
   (  segid "    " and resid 32   and name HD% )
   (  segid "    " and resid 69   and name HG1%)
      5.100     3.200     0.900 peak  1531 spectrum    1 weight  0.10000E+01 volume  0.36970E-03 ppm1      7.190 ppm2      0.439 CV     1
 OR { 1531}
   (  segid "    " and resid 32   and name HD% )
   (  segid "    " and resid 66   and name HD1%)
 ASSI { 1534}
   (  segid "    " and resid 32   and name HD% )
   (( segid "    " and resid 67   and name HA  ))
      4.100     2.100     1.900 peak  1534 spectrum    1 weight  0.10000E+01 volume  0.78726E-03 ppm1      7.195 ppm2      4.481 CV     1
 OR { 1534}
   (  segid "    " and resid 32   and name HD% )
   (( segid "    " and resid 33   and name HA  ))
 OR { 1534}
   (  segid "    " and resid 32   and name HD% )
   (( segid "    " and resid 66   and name HA  ))
 ASSI { 1535}
   (  segid "    " and resid 32   and name HD% )
   (( segid "    " and resid 32   and name HA  ))
      2.800     1.000     1.000 peak  1535 spectrum    1 weight  0.10000E+01 volume  0.22944E-02 ppm1      7.193 ppm2      4.086 CV     1
 OR { 1535}
   (  segid "    " and resid 32   and name HD% )
   (( segid "    " and resid 12   and name HA  ))
 ASSI { 1536}
   (  segid "    " and resid 32   and name HD% )
   (( segid "    " and resid 33   and name HN  ))
      4.800     2.900     1.200 peak  1536 spectrum    1 weight  0.10000E+01 volume  0.34203E-03 ppm1      7.188 ppm2      8.647 CV     1
 OR { 1536}
   (  segid "    " and resid 32   and name HD% )
   (( segid "    " and resid 68   and name HN  ))
 ASSI { 1537}
   (  segid "    " and resid 32   and name HD% )
   (( segid "    " and resid 32   and name HN  ))
      2.700     0.900     0.900 peak  1537 spectrum    1 weight  0.10000E+01 volume  0.19205E-02 ppm1      7.192 ppm2      8.221 CV     1
 OR { 1537}
   (  segid "    " and resid 32   and name HD% )
   (( segid "    " and resid 39   and name HN  ))
 ASSI { 1538}
   (  segid "    " and resid 32   and name HD% )
   (( segid "    " and resid 69   and name HN  ))
      4.600     2.600     1.400 peak  1538 spectrum    1 weight  0.10000E+01 volume  0.19123E-03 ppm1      7.191 ppm2      8.106 CV     1
 OR { 1538}
   (  segid "    " and resid 32   and name HD% )
   (( segid "    " and resid 38   and name HN  ))
 ASSI { 1539}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 69   and name HN  ))
      4.300     2.300     1.700 peak  1539 spectrum    1 weight  0.10000E+01 volume  0.52840E-03 ppm1      6.986 ppm2      8.169 CV     1
 OR { 1539}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 72   and name HN  ))
 ASSI { 1544}
   (( segid "    " and resid 32   and name HZ  ))
   (  segid "    " and resid 15   and name HG2%)
      4.300     2.300     1.700 peak  1544 spectrum    1 weight  0.10000E+01 volume  0.27206E-03 ppm1      6.846 ppm2      1.171 CV     1
 OR { 1544}
   (( segid "    " and resid 32   and name HZ  ))
   (( segid "    " and resid 40   and name H3B ))
 OR { 1544}
   (( segid "    " and resid 32   and name HZ  ))
   (( segid "    " and resid 40   and name H3A ))
 ASSI { 1545}
   (( segid "    " and resid 32   and name HZ  ))
   (  segid "    " and resid 26   and name HG2%)
      4.600     2.600     1.400 peak  1545 spectrum    1 weight  0.10000E+01 volume  0.26958E-03 ppm1      6.840 ppm2      0.972 CV     1
 OR { 1545}
   (( segid "    " and resid 32   and name HZ  ))
   (( segid "    " and resid 40   and name H5A ))
 OR { 1545}
   (( segid "    " and resid 32   and name HZ  ))
   (( segid "    " and resid 40   and name H5B ))
 OR { 1545}
   (( segid "    " and resid 32   and name HZ  ))
   (  segid "    " and resid 15   and name HG1%)
 OR { 1545}
   (( segid "    " and resid 32   and name HZ  ))
   (  segid "    " and resid 21   and name HG2%)
 OR { 1545}
   (( segid "    " and resid 32   and name HZ  ))
   (  segid "    " and resid 46   and name HG2%)
 ASSI { 1546}
   (( segid "    " and resid 32   and name HZ  ))
   (  segid "    " and resid 11   and name HD1%)
      3.500     1.600     1.600 peak  1546 spectrum    1 weight  0.10000E+01 volume  0.11145E-02 ppm1      6.840 ppm2      0.863 CV     1
 OR { 1546}
   (( segid "    " and resid 32   and name HZ  ))
   (  segid "    " and resid 11   and name HD2%)
 OR { 1546}
   (( segid "    " and resid 32   and name HZ  ))
   (( segid "    " and resid 40   and name H4B ))
 OR { 1546}
   (( segid "    " and resid 32   and name HZ  ))
   (  segid "    " and resid 8    and name HG1%)
 OR { 1546}
   (( segid "    " and resid 32   and name HZ  ))
   (( segid "    " and resid 40   and name H4A ))
 ASSI { 1547}
   (( segid "    " and resid 32   and name HZ  ))
   (  segid "    " and resid 69   and name HG2%)
      3.600     1.600     1.600 peak  1547 spectrum    1 weight  0.10000E+01 volume  0.69723E-03 ppm1      6.851 ppm2      0.641 CV     1
 OR { 1547}
   (( segid "    " and resid 32   and name HZ  ))
   (  segid "    " and resid 36   and name HD1%)
 OR { 1547}
   (( segid "    " and resid 32   and name HZ  ))
   (  segid "    " and resid 40   and name H6% )
 OR { 1547}
   (( segid "    " and resid 32   and name HZ  ))
   (  segid "    " and resid 46   and name HG1%)
 ASSI { 1549}
   (( segid "    " and resid 32   and name HZ  ))
   (  segid "    " and resid 72   and name HB% )
      3.800     1.800     1.800 peak  1549 spectrum    1 weight  0.10000E+01 volume  0.14244E-02 ppm1      6.851 ppm2      1.591 CV     1
 OR { 1549}
   (( segid "    " and resid 32   and name HZ  ))
   (( segid "    " and resid 21   and name HB  ))
 OR { 1549}
   (( segid "    " and resid 32   and name HZ  ))
   (( segid "    " and resid 36   and name HB2 ))
 OR { 1549}
   (( segid "    " and resid 32   and name HZ  ))
   (  segid "    " and resid 19   and name HB% )
 ASSI { 1550}
   (( segid "    " and resid 32   and name HZ  ))
   (( segid "    " and resid 69   and name HB  ))
      5.300     3.500     0.700 peak  1550 spectrum    1 weight  0.10000E+01 volume  0.17142E-03 ppm1      6.859 ppm2      2.269 CV     1
 OR { 1550}
   (( segid "    " and resid 32   and name HZ  ))
   (( segid "    " and resid 40   and name H2A ))
 OR { 1550}
   (( segid "    " and resid 32   and name HZ  ))
   (( segid "    " and resid 46   and name HB  ))
 OR { 1550}
   (( segid "    " and resid 32   and name HZ  ))
   (( segid "    " and resid 43   and name HG2 ))
 OR { 1550}
   (( segid "    " and resid 32   and name HZ  ))
   (( segid "    " and resid 40   and name H2B ))
 OR { 1550}
   (( segid "    " and resid 32   and name HZ  ))
   (( segid "    " and resid 43   and name HG1 ))
 OR { 1550}
   (( segid "    " and resid 32   and name HZ  ))
   (( segid "    " and resid 36   and name HB1 ))
 ASSI { 1552}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      5.600     3.900     0.400 peak  1552 spectrum    1 weight  0.10000E+01 volume  0.21833E-03 ppm1      4.493 ppm2      8.214 CV     1
 OR { 1552}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI { 1564}
   (( segid "    " and resid 33   and name HB  ))
   (( segid "    " and resid 32   and name HB1 ))
      5.200     3.400     0.800 peak  1564 spectrum    1 weight  0.10000E+01 volume  0.34622E-03 ppm1      4.171 ppm2      3.156 CV     1
 OR { 1564}
   (( segid "    " and resid 33   and name HB  ))
   (( segid "    " and resid 40   and name H42B))
 OR { 1564}
   (( segid "    " and resid 33   and name HB  ))
   (( segid "    " and resid 32   and name HB2 ))
 OR { 1564}
   (( segid "    " and resid 33   and name HB  ))
   (( segid "    " and resid 40   and name H42A))
 ASSI { 1565}
   (( segid "    " and resid 33   and name HB  ))
   (( segid "    " and resid 40   and name H43A))
      5.400     3.600     0.600 peak  1565 spectrum    1 weight  0.10000E+01 volume  0.22507E-03 ppm1      4.167 ppm2      2.796 CV     1
 OR { 1565}
   (( segid "    " and resid 33   and name HB  ))
   (( segid "    " and resid 34   and name HB1 ))
 OR { 1565}
   (( segid "    " and resid 33   and name HB  ))
   (( segid "    " and resid 40   and name H43B))
 ASSI { 1568}
   (( segid "    " and resid 33   and name HB  ))
   (( segid "    " and resid 38   and name HN  ))
      4.700     2.700     1.300 peak  1568 spectrum    1 weight  0.10000E+01 volume  0.47985E-03 ppm1      4.162 ppm2      8.116 CV     1
 OR { 1568}
   (( segid "    " and resid 33   and name HB  ))
   (( segid "    " and resid 40   and name H41A))
 ASSI { 1571}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 34   and name HB2 ))
      4.900     3.100     1.100 peak  1571 spectrum    1 weight  0.10000E+01 volume  0.18125E-03 ppm1      4.485 ppm2      2.481 CV     1
 OR { 1571}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 37   and name HB2 ))
 ASSI { 1578}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 40   and name H42B))
      3.100     1.200     1.200 peak  1578 spectrum    1 weight  0.10000E+01 volume  0.22945E-02 ppm1      1.277 ppm2      3.167 CV     1
 OR { 1578}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 32   and name HB2 ))
 OR { 1578}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 32   and name HB1 ))
 OR { 1578}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 40   and name H42A))
 ASSI { 1581}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 43   and name HG1 ))
      4.600     2.600     1.400 peak  1581 spectrum    1 weight  0.10000E+01 volume  0.55736E-03 ppm1      1.278 ppm2      2.293 CV     1
 OR { 1581}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 40   and name H2A ))
 OR { 1581}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 40   and name H2B ))
 OR { 1581}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 43   and name HG2 ))
 OR { 1581}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 36   and name HB1 ))
 ASSI { 1583}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 32   and name HA  ))
      6.000     4.900     0.000 peak  1583 spectrum    1 weight  0.10000E+01 volume  0.81220E-04 ppm1      1.278 ppm2      4.057 CV     1
 OR { 1583}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 31   and name HB1 ))
 ASSI { 1584}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 38   and name HA  ))
      4.800     2.900     1.200 peak  1584 spectrum    1 weight  0.10000E+01 volume  0.40178E-03 ppm1      1.279 ppm2      3.979 CV     1
 OR { 1584}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 64   and name HA  ))
 OR { 1584}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 43   and name HA  ))
 OR { 1584}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 40   and name H32A))
 ASSI { 1589}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 37   and name HA  ))
      5.100     3.200     0.900 peak  1589 spectrum    1 weight  0.10000E+01 volume  0.32121E-03 ppm1      1.280 ppm2      4.368 CV     1
 OR { 1589}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 68   and name HB  ))
 OR { 1589}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 36   and name HA  ))
 OR { 1589}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 30   and name HA  ))
 ASSI { 1590}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 32   and name HN  ))
      5.600     3.900     0.400 peak  1590 spectrum    1 weight  0.10000E+01 volume  0.22142E-03 ppm1      1.275 ppm2      8.223 CV     1
 OR { 1590}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 39   and name HN  ))
 ASSI { 1591}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 38   and name HN  ))
      4.200     2.200     1.800 peak  1591 spectrum    1 weight  0.10000E+01 volume  0.77328E-03 ppm1      1.276 ppm2      8.072 CV     1
 OR { 1591}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 40   and name H41A))
 OR { 1591}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 41   and name HN  ))
 ASSI { 1624}
   (( segid "    " and resid 35   and name HB1 ))
   (  segid "    " and resid 36   and name HD1%)
      4.900     3.000     1.100 peak  1624 spectrum    1 weight  0.10000E+01 volume  0.40861E-03 ppm1      3.050 ppm2      0.601 CV     1
 OR { 1624}
   (( segid "    " and resid 35   and name HB1 ))
   (  segid "    " and resid 69   and name HG2%)
 ASSI { 1625}
   (( segid "    " and resid 35   and name HB2 ))
   (  segid "    " and resid 36   and name HD1%)
      5.100     3.200     0.900 peak  1625 spectrum    1 weight  0.10000E+01 volume  0.40723E-03 ppm1      2.713 ppm2      0.600 CV     1
 OR { 1625}
   (( segid "    " and resid 35   and name HB2 ))
   (  segid "    " and resid 69   and name HG2%)
 ASSI { 1629}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 36   and name HG  ))
      2.700     0.900     0.900 peak  1629 spectrum    1 weight  0.10000E+01 volume  0.24590E-02 ppm1      3.051 ppm2      1.471 CV     1
 OR { 1629}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 30   and name HD2 ))
 ASSI { 1632}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 30   and name HD1 ))
      4.200     2.200     1.800 peak  1632 spectrum    1 weight  0.10000E+01 volume  0.12678E-02 ppm1      2.714 ppm2      1.573 CV     1
 OR { 1632}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 36   and name HB2 ))
 ASSI { 1633}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 36   and name HG  ))
      3.200     1.300     1.300 peak  1633 spectrum    1 weight  0.10000E+01 volume  0.30646E-02 ppm1      2.717 ppm2      1.471 CV     1
 OR { 1633}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 30   and name HD2 ))
 ASSI { 1640}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 36   and name HG  ))
      4.400     2.400     1.600 peak  1640 spectrum    1 weight  0.10000E+01 volume  0.65571E-03 ppm1      5.012 ppm2      1.462 CV     1
 OR { 1640}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 30   and name HD2 ))
 ASSI { 1642}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 30   and name HD1 ))
      5.200     3.400     0.800 peak  1642 spectrum    1 weight  0.10000E+01 volume  0.28676E-03 ppm1      5.013 ppm2      1.573 CV     1
 OR { 1642}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 36   and name HB2 ))
 ASSI { 1643}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 36   and name HB1 ))
      5.100     3.200     0.900 peak  1643 spectrum    1 weight  0.10000E+01 volume  0.31382E-03 ppm1      3.062 ppm2      2.317 CV     1
 OR { 1643}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 69   and name HB  ))
 ASSI { 1649}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 30   and name HA  ))
      2.900     1.000     1.000 peak  1649 spectrum    1 weight  0.10000E+01 volume  0.15224E-02 ppm1      3.051 ppm2      4.394 CV     1
 OR { 1649}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 36   and name HA  ))
 ASSI { 1654}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 30   and name HA  ))
      3.200     1.300     1.300 peak  1654 spectrum    1 weight  0.10000E+01 volume  0.11796E-02 ppm1      2.717 ppm2      4.400 CV     1
 OR { 1654}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 36   and name HA  ))
 ASSI { 1658}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 31   and name HB1 ))
      5.800     4.200     0.200 peak  1658 spectrum    1 weight  0.10000E+01 volume  0.17913E-03 ppm1      5.026 ppm2      4.091 CV     1
 OR { 1658}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 32   and name HA  ))
 ASSI { 1665}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HB2 ))
      2.600     0.900     0.900 peak  1665 spectrum    1 weight  0.10000E+01 volume  0.55366E-02 ppm1      4.392 ppm2      1.616 CV     1
 OR { 1665}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 36   and name HB2 ))
 ASSI { 1666}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HB1 ))
      2.400     0.700     0.700 peak  1666 spectrum    1 weight  0.10000E+01 volume  0.29305E-02 ppm1      4.393 ppm2      2.300 CV     1
 OR { 1666}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 36   and name HB1 ))
 ASSI { 1667}
   (( segid "    " and resid 36   and name HA  ))
   (  segid "    " and resid 21   and name HG2%)
      3.700     1.700     1.700 peak  1667 spectrum    1 weight  0.10000E+01 volume  0.12849E-02 ppm1      4.391 ppm2      0.984 CV     1
 OR { 1667}
   (( segid "    " and resid 37   and name HA  ))
   (  segid "    " and resid 38   and name HG2%)
 OR { 1667}
   (( segid "    " and resid 37   and name HA  ))
   (  segid "    " and resid 38   and name HG1%)
 OR { 1667}
   (( segid "    " and resid 36   and name HA  ))
   (  segid "    " and resid 15   and name HG1%)
 OR { 1667}
   (( segid "    " and resid 36   and name HA  ))
   (  segid "    " and resid 38   and name HG1%)
 ASSI { 1669}
   (( segid "    " and resid 36   and name HA  ))
   (  segid "    " and resid 36   and name HD1%)
      4.200     2.200     1.800 peak  1669 spectrum    1 weight  0.10000E+01 volume  0.12647E-02 ppm1      4.386 ppm2      0.599 CV     1
 OR { 1669}
   (( segid "    " and resid 37   and name HA  ))
   (  segid "    " and resid 36   and name HD1%)
 ASSI { 1684}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      5.500     3.800     0.500 peak  1684 spectrum    1 weight  0.10000E+01 volume  0.20740E-03 ppm1      4.384 ppm2      7.726 CV     1
 OR { 1684}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
 ASSI { 1688}
   (( segid "    " and resid 36   and name HA  ))
   (  segid "    " and resid 32   and name HD% )
      4.900     3.000     1.100 peak  1688 spectrum    1 weight  0.10000E+01 volume  0.67708E-03 ppm1      4.392 ppm2      7.165 CV     1
 OR { 1688}
   (( segid "    " and resid 37   and name HA  ))
   (  segid "    " and resid 32   and name HD% )
 ASSI { 1692}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 37   and name HB1 ))
      4.400     2.400     1.600 peak  1692 spectrum    1 weight  0.10000E+01 volume  0.68119E-03 ppm1      2.300 ppm2      3.044 CV     1
 OR { 1692}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 35   and name HB1 ))
 ASSI { 1696}
   (( segid "    " and resid 36   and name HB1 ))
   (  segid "    " and resid 26   and name HG2%)
      4.400     2.400     1.600 peak  1696 spectrum    1 weight  0.10000E+01 volume  0.78310E-03 ppm1      2.310 ppm2      0.935 CV     1
 OR { 1696}
   (( segid "    " and resid 36   and name HB1 ))
   (  segid "    " and resid 38   and name HG2%)
 OR { 1696}
   (( segid "    " and resid 36   and name HB1 ))
   (  segid "    " and resid 38   and name HG1%)
 ASSI { 1699}
   (( segid "    " and resid 36   and name HB2 ))
   (  segid "    " and resid 36   and name HD2%)
      3.100     1.200     1.200 peak  1699 spectrum    1 weight  0.10000E+01 volume  0.28075E-02 ppm1      1.619 ppm2      0.764 CV     1
 OR { 1699}
   (( segid "    " and resid 36   and name HB2 ))
   (  segid "    " and resid 26   and name HG1%)
 ASSI { 1701}
   (( segid "    " and resid 41   and name HB2 ))
   (  segid "    " and resid 41   and name HD2%)
      3.100     1.200     1.200 peak  1701 spectrum    1 weight  0.10000E+01 volume  0.22457E-02 ppm1      1.631 ppm2      0.929 CV     1
 OR { 1701}
   (( segid "    " and resid 41   and name HB2 ))
   (  segid "    " and resid 41   and name HD1%)
 OR { 1701}
   (( segid "    " and resid 36   and name HB2 ))
   (  segid "    " and resid 26   and name HG2%)
 OR { 1701}
   (( segid "    " and resid 36   and name HB2 ))
   (  segid "    " and resid 38   and name HG1%)
 ASSI { 1705}
   (( segid "    " and resid 36   and name HG  ))
   (( segid "    " and resid 35   and name HB2 ))
      4.400     2.400     1.600 peak  1705 spectrum    1 weight  0.10000E+01 volume  0.49935E-03 ppm1      1.478 ppm2      2.715 CV     1
 OR { 1705}
   (( segid "    " and resid 36   and name HG  ))
   (( segid "    " and resid 25   and name HB1 ))
 ASSI { 1706}
   (( segid "    " and resid 36   and name HG  ))
   (( segid "    " and resid 36   and name HB1 ))
      2.700     0.900     0.900 peak  1706 spectrum    1 weight  0.10000E+01 volume  0.26174E-02 ppm1      1.473 ppm2      2.298 CV     1
 OR { 1706}
   (( segid "    " and resid 36   and name HG  ))
   (( segid "    " and resid 26   and name HB  ))
 ASSI { 1711}
   (( segid "    " and resid 36   and name HG  ))
   (  segid "    " and resid 36   and name HD1%)
      2.000     0.500     0.500 peak  1711 spectrum    1 weight  0.10000E+01 volume  0.68147E-02 ppm1      1.476 ppm2      0.598 CV     1
 OR { 1711}
   (( segid "    " and resid 36   and name HG  ))
   (  segid "    " and resid 69   and name HG2%)
 ASSI { 1714}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 36   and name HB1 ))
      2.300     0.700     0.700 peak  1714 spectrum    1 weight  0.10000E+01 volume  0.47190E-02 ppm1      0.601 ppm2      2.295 CV     1
 OR { 1714}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 26   and name HB  ))
 OR { 1714}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 69   and name HB  ))
 ASSI { 1717}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 36   and name HB2 ))
      2.400     0.700     0.700 peak  1717 spectrum    1 weight  0.10000E+01 volume  0.47386E-02 ppm1      0.601 ppm2      1.617 CV     1
 OR { 1717}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 21   and name HB  ))
 ASSI { 1718}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 36   and name HG  ))
      2.000     0.500     0.500 peak  1718 spectrum    1 weight  0.10000E+01 volume  0.70120E-02 ppm1      0.601 ppm2      1.469 CV     1
 OR { 1718}
   (  segid "    " and resid 36   and name HD1%)
   (  segid "    " and resid 43   and name HE% )
 ASSI { 1719}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 21   and name HG12))
      2.800     1.000     1.000 peak  1719 spectrum    1 weight  0.10000E+01 volume  0.21649E-02 ppm1      0.600 ppm2      1.350 CV     1
 OR { 1719}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 30   and name HB2 ))
 OR { 1719}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 21   and name HG11))
 ASSI { 1720}
   (  segid "    " and resid 36   and name HD1%)
   (  segid "    " and resid 15   and name HG2%)
      3.100     1.200     1.200 peak  1720 spectrum    1 weight  0.10000E+01 volume  0.17175E-02 ppm1      0.603 ppm2      1.181 CV     1
 OR { 1720}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 40   and name H3A ))
 ASSI { 1721}
   (  segid "    " and resid 36   and name HD1%)
   (  segid "    " and resid 21   and name HD1%)
      4.600     2.600     1.400 peak  1721 spectrum    1 weight  0.10000E+01 volume  0.72436E-03 ppm1      0.572 ppm2      0.858 CV     1
 OR { 1721}
   (  segid "    " and resid 36   and name HD1%)
   (  segid "    " and resid 8    and name HG1%)
 ASSI { 1724}
   (  segid "    " and resid 36   and name HD1%)
   (  segid "    " and resid 21   and name HG2%)
      2.200     0.600     0.600 peak  1724 spectrum    1 weight  0.10000E+01 volume  0.39546E-02 ppm1      0.602 ppm2      1.007 CV     1
 OR { 1724}
   (  segid "    " and resid 36   and name HD1%)
   (  segid "    " and resid 15   and name HG1%)
 ASSI { 1725}
   (  segid "    " and resid 36   and name HD1%)
   (  segid "    " and resid 26   and name HG2%)
      2.300     0.600     0.600 peak  1725 spectrum    1 weight  0.10000E+01 volume  0.47386E-02 ppm1      0.601 ppm2      0.943 CV     1
 OR { 1725}
   (  segid "    " and resid 36   and name HD1%)
   (  segid "    " and resid 38   and name HG1%)
 OR { 1725}
   (  segid "    " and resid 36   and name HD1%)
   (  segid "    " and resid 8    and name HG1%)
 ASSI { 1726}
   (  segid "    " and resid 36   and name HD1%)
   (  segid "    " and resid 26   and name HG2%)
      2.700     0.900     0.900 peak  1726 spectrum    1 weight  0.10000E+01 volume  0.20621E-02 ppm1      0.601 ppm2      0.883 CV     1
 OR { 1726}
   (  segid "    " and resid 36   and name HD1%)
   (  segid "    " and resid 21   and name HD1%)
 ASSI { 1727}
   (  segid "    " and resid 36   and name HD1%)
   (  segid "    " and resid 36   and name HD2%)
      2.100     0.600     0.600 peak  1727 spectrum    1 weight  0.10000E+01 volume  0.91735E-02 ppm1      0.602 ppm2      0.782 CV     1
 OR { 1727}
   (  segid "    " and resid 36   and name HD1%)
   (  segid "    " and resid 26   and name HG1%)
 ASSI { 1732}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 35   and name HB1 ))
      4.700     2.800     1.300 peak  1732 spectrum    1 weight  0.10000E+01 volume  0.54037E-03 ppm1      0.601 ppm2      3.044 CV     1
 OR { 1732}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 37   and name HB1 ))
 ASSI { 1735}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 36   and name HA  ))
      4.100     2.100     1.900 peak  1735 spectrum    1 weight  0.10000E+01 volume  0.15460E-02 ppm1      0.601 ppm2      4.391 CV     1
 OR { 1735}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 30   and name HA  ))
 OR { 1735}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 37   and name HA  ))
 ASSI { 1741}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 38   and name HN  ))
      5.200     3.400     0.800 peak  1741 spectrum    1 weight  0.10000E+01 volume  0.38175E-03 ppm1      0.604 ppm2      8.117 CV     1
 OR { 1741}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 69   and name HN  ))
 ASSI { 1743}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 32   and name HN  ))
      4.400     2.400     1.600 peak  1743 spectrum    1 weight  0.10000E+01 volume  0.33707E-03 ppm1      0.601 ppm2      8.216 CV     1
 OR { 1743}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 39   and name HN  ))
 ASSI { 1757}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 36   and name HG  ))
      2.000     0.500     0.500 peak  1757 spectrum    1 weight  0.10000E+01 volume  0.76364E-02 ppm1      0.773 ppm2      1.467 CV     1
 OR { 1757}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 30   and name HD2 ))
 ASSI { 1758}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 30   and name HB2 ))
      2.800     1.000     1.000 peak  1758 spectrum    1 weight  0.10000E+01 volume  0.36307E-02 ppm1      0.773 ppm2      1.351 CV     1
 OR { 1758}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 30   and name HG2 ))
 OR { 1758}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 21   and name HG11))
 ASSI { 1760}
   (  segid "    " and resid 36   and name HD2%)
   (  segid "    " and resid 21   and name HG2%)
      2.600     0.800     0.800 peak  1760 spectrum    1 weight  0.10000E+01 volume  0.36901E-02 ppm1      0.774 ppm2      0.963 CV     1
 OR { 1760}
   (  segid "    " and resid 36   and name HD2%)
   (  segid "    " and resid 26   and name HG2%)
 ASSI { 1761}
   (  segid "    " and resid 36   and name HD2%)
   (  segid "    " and resid 36   and name HD1%)
      2.100     0.500     0.500 peak  1761 spectrum    1 weight  0.10000E+01 volume  0.11380E-01 ppm1      0.771 ppm2      0.593 CV     1
 OR { 1761}
   (  segid "    " and resid 36   and name HD2%)
   (  segid "    " and resid 69   and name HG2%)
 ASSI { 1764}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 25   and name HA  ))
      4.500     2.600     1.500 peak  1764 spectrum    1 weight  0.10000E+01 volume  0.29569E-03 ppm1      0.774 ppm2      4.591 CV     1
 OR { 1764}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 27   and name HA  ))
 ASSI { 1765}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 25   and name HN  ))
      3.100     1.200     1.200 peak  1765 spectrum    1 weight  0.10000E+01 volume  0.53895E-03 ppm1      0.775 ppm2      7.718 CV     1
 OR { 1765}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 35   and name HN  ))
 ASSI { 1775}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 37   and name HB1 ))
      2.800     1.000     1.000 peak  1775 spectrum    1 weight  0.10000E+01 volume  0.53530E-02 ppm1      4.396 ppm2      3.089 CV     1
 OR { 1775}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 35   and name HB1 ))
 ASSI { 1776}
   (( segid "    " and resid 37   and name HA  ))
   (  segid "    " and resid 38   and name HG2%)
      4.300     2.300     1.700 peak  1776 spectrum    1 weight  0.10000E+01 volume  0.10680E-02 ppm1      4.401 ppm2      0.935 CV     1
 OR { 1776}
   (( segid "    " and resid 36   and name HA  ))
   (  segid "    " and resid 26   and name HG2%)
 OR { 1776}
   (( segid "    " and resid 37   and name HA  ))
   (  segid "    " and resid 38   and name HG1%)
 OR { 1776}
   (( segid "    " and resid 36   and name HA  ))
   (  segid "    " and resid 38   and name HG1%)
 ASSI { 1786}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 37   and name HA  ))
      3.300     3.300     2.700 peak  1786 spectrum    1 weight  0.10000E+01 volume  0.35479E-03 ppm1      1.900 ppm2      4.404 CV     1
 OR { 1786}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 36   and name HA  ))
 ASSI { 1791}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 39   and name HB1 ))
      5.900     4.400     0.100 peak  1791 spectrum    1 weight  0.10000E+01 volume  0.74437E-04 ppm1      3.962 ppm2      3.109 CV     1
 OR { 1791}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 37   and name HB1 ))
 ASSI { 1792}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 39   and name HB2 ))
      4.500     2.600     1.500 peak  1792 spectrum    1 weight  0.10000E+01 volume  0.47007E-03 ppm1      3.963 ppm2      2.756 CV     1
 OR { 1792}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 39   and name HB2 ))
 ASSI { 1794}
   (( segid "    " and resid 38   and name HA  ))
   (  segid "    " and resid 38   and name HG1%)
      2.100     0.600     0.600 peak  1794 spectrum    1 weight  0.10000E+01 volume  0.15250E-01 ppm1      3.960 ppm2      0.934 CV     1
 OR { 1794}
   (( segid "    " and resid 42   and name HB1 ))
   (  segid "    " and resid 18   and name HG2%)
 OR { 1794}
   (( segid "    " and resid 38   and name HA  ))
   (  segid "    " and resid 38   and name HG2%)
 ASSI { 1795}
   (( segid "    " and resid 42   and name HB1 ))
   (  segid "    " and resid 18   and name HD1%)
      3.700     1.800     1.800 peak  1795 spectrum    1 weight  0.10000E+01 volume  0.54073E-03 ppm1      3.972 ppm2      0.815 CV     1
 OR { 1795}
   (( segid "    " and resid 38   and name HA  ))
   (  segid "    " and resid 21   and name HD1%)
 ASSI { 1796}
   (( segid "    " and resid 38   and name HA  ))
   (  segid "    " and resid 19   and name HB% )
      2.900     1.100     1.100 peak  1796 spectrum    1 weight  0.10000E+01 volume  0.12133E-02 ppm1      3.964 ppm2      1.542 CV     1
 OR { 1796}
   (( segid "    " and resid 42   and name HB1 ))
   (  segid "    " and resid 19   and name HB% )
 ASSI { 1801}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 36   and name HB1 ))
      4.500     2.500     1.500 peak  1801 spectrum    1 weight  0.10000E+01 volume  0.60838E-03 ppm1      1.892 ppm2      2.315 CV     1
 OR { 1801}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 43   and name HG1 ))
 OR { 1801}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 43   and name HG2 ))
 ASSI { 1802}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 21   and name HG12))
      4.000     2.000     2.000 peak  1802 spectrum    1 weight  0.10000E+01 volume  0.40789E-03 ppm1      1.895 ppm2      1.281 CV     1
 OR { 1802}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 21   and name HG11))
 OR { 1802}
   (( segid "    " and resid 38   and name HB  ))
   (  segid "    " and resid 33   and name HG2%)
 ASSI { 1803}
   (  segid "    " and resid 38   and name HG1%)
   (( segid "    " and resid 38   and name HA  ))
      2.100     0.500     0.500 peak  1803 spectrum    1 weight  0.10000E+01 volume  0.14759E-01 ppm1      0.935 ppm2      3.961 CV     1
 OR { 1803}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 38   and name HA  ))
 OR { 1803}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 42   and name HB1 ))
 ASSI { 1810}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 40   and name H43A))
      4.600     2.700     1.400 peak  1810 spectrum    1 weight  0.10000E+01 volume  0.38807E-03 ppm1      0.929 ppm2      2.796 CV     1
 OR { 1810}
   (  segid "    " and resid 38   and name HG1%)
   (( segid "    " and resid 39   and name HB2 ))
 OR { 1810}
   (  segid "    " and resid 38   and name HG1%)
   (( segid "    " and resid 40   and name H43A))
 OR { 1810}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 39   and name HB2 ))
 OR { 1810}
   (  segid "    " and resid 38   and name HG1%)
   (( segid "    " and resid 40   and name H43B))
 ASSI { 1812}
   (  segid "    " and resid 38   and name HG1%)
   (( segid "    " and resid 43   and name HB1 ))
      4.200     2.200     1.800 peak  1812 spectrum    1 weight  0.10000E+01 volume  0.13965E-02 ppm1      0.929 ppm2      2.017 CV     1
 OR { 1812}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 43   and name HB1 ))
 OR { 1812}
   (  segid "    " and resid 38   and name HG1%)
   (( segid "    " and resid 67   and name HB2 ))
 OR { 1812}
   (  segid "    " and resid 38   and name HG1%)
   (( segid "    " and resid 67   and name HB1 ))
 ASSI { 1817}
   (( segid "    " and resid 67   and name HE2 ))
   (( segid "    " and resid 65   and name HA  ))
      3.000     3.000     3.000 peak  1817 spectrum    1 weight  0.10000E+01 volume  0.67964E-03 ppm1      3.099 ppm2      4.880 CV     1
 OR { 1817}
   (( segid "    " and resid 67   and name HE1 ))
   (( segid "    " and resid 65   and name HA  ))
 OR { 1817}
   (( segid "    " and resid 67   and name HE1 ))
   (( segid "    " and resid 31   and name HA  ))
 ASSI { 1820}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 72   and name HA  ))
      3.800     1.800     1.800 peak  1820 spectrum    1 weight  0.10000E+01 volume  0.86523E-03 ppm1      3.101 ppm2      4.137 CV     1
 OR { 1820}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 40   and name HB1 ))
 OR { 1820}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 40   and name HA  ))
 OR { 1820}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 40   and name HB2 ))
 ASSI { 1823}
   (( segid "    " and resid 27   and name HA  ))
   (  segid "    " and resid 8    and name HG1%)
      3.300     1.300     1.300 peak  1823 spectrum    1 weight  0.10000E+01 volume  0.17574E-02 ppm1      4.655 ppm2      0.912 CV     1
 OR { 1823}
   (( segid "    " and resid 39   and name HA  ))
   (  segid "    " and resid 38   and name HG2%)
 OR { 1823}
   (( segid "    " and resid 39   and name HA  ))
   (  segid "    " and resid 38   and name HG1%)
 OR { 1823}
   (( segid "    " and resid 39   and name HA  ))
   (  segid "    " and resid 41   and name HD1%)
 ASSI { 1825}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HB1 ))
      2.500     0.800     0.800 peak  1825 spectrum    1 weight  0.10000E+01 volume  0.62131E-02 ppm1      4.660 ppm2      3.098 CV     1
 OR { 1825}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HE2 ))
 ASSI { 1826}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 40   and name HB1 ))
      3.600     1.600     1.600 peak  1826 spectrum    1 weight  0.10000E+01 volume  0.14556E-02 ppm1      4.660 ppm2      4.149 CV     1
 OR { 1826}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 40   and name HA  ))
 OR { 1826}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 40   and name HB2 ))
 OR { 1826}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 33   and name HB  ))
 ASSI { 1829}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 72   and name HN  ))
      2.400     0.700     0.700 peak  1829 spectrum    1 weight  0.10000E+01 volume  0.42870E-02 ppm1      3.109 ppm2      8.212 CV     1
 OR { 1829}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 39   and name HN  ))
 OR { 1829}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 67   and name HN  ))
 OR { 1829}
   (( segid "    " and resid 67   and name HE1 ))
   (( segid "    " and resid 67   and name HN  ))
 ASSI { 1832}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
      3.300     1.300     1.300 peak  1832 spectrum    1 weight  0.10000E+01 volume  0.13591E-02 ppm1      4.147 ppm2      8.374 CV     1
 OR { 1832}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 42   and name HN  ))
 ASSI { 1833}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 41   and name HN  ))
      3.200     1.300     1.300 peak  1833 spectrum    1 weight  0.10000E+01 volume  0.12555E-02 ppm1      4.147 ppm2      8.108 CV     1
 OR { 1833}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name H41A))
 ASSI { 1835}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 42   and name HN  ))
      4.600     2.700     1.400 peak  1835 spectrum    1 weight  0.10000E+01 volume  0.56179E-03 ppm1      4.143 ppm2      8.383 CV     1
 OR { 1835}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 42   and name HN  ))
 OR { 1835}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 43   and name HN  ))
 OR { 1835}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 43   and name HN  ))
 ASSI { 1836}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 41   and name HN  ))
      3.400     1.400     1.400 peak  1836 spectrum    1 weight  0.10000E+01 volume  0.14564E-02 ppm1      4.146 ppm2      8.107 CV     1
 OR { 1836}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 41   and name HN  ))
 OR { 1836}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name H41A))
 OR { 1836}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 40   and name H41A))
 ASSI { 1840}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 43   and name HG1 ))
      3.800     1.800     1.800 peak  1840 spectrum    1 weight  0.10000E+01 volume  0.15614E-02 ppm1      4.146 ppm2      2.293 CV     1
 OR { 1840}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 43   and name HG2 ))
 OR { 1840}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name H2A ))
 OR { 1840}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name H2B ))
 ASSI { 1843}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name H43A))
      4.500     2.500     1.500 peak  1843 spectrum    1 weight  0.10000E+01 volume  0.16481E-03 ppm1      4.141 ppm2      2.778 CV     1
 OR { 1843}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name H43B))
 OR { 1843}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 39   and name HB2 ))
 ASSI { 1853}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name H43A))
      5.500     3.800     0.500 peak  1853 spectrum    1 weight  0.10000E+01 volume  0.12935E-03 ppm1      4.147 ppm2      2.770 CV     1
 OR { 1853}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 40   and name H43A))
 OR { 1853}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name H43B))
 OR { 1853}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 40   and name H43B))
 OR { 1853}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 39   and name HB2 ))
 ASSI { 1854}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 43   and name HG1 ))
      4.700     2.800     1.300 peak  1854 spectrum    1 weight  0.10000E+01 volume  0.66434E-03 ppm1      4.148 ppm2      2.285 CV     1
 OR { 1854}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 43   and name HG1 ))
 OR { 1854}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name H2A ))
 OR { 1854}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 43   and name HG2 ))
 OR { 1854}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 40   and name H2A ))
 OR { 1854}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 43   and name HG2 ))
 OR { 1854}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name H2B ))
 OR { 1854}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 40   and name H2B ))
 ASSI { 1859}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 38   and name HG2%)
      3.400     1.500     1.500 peak  1859 spectrum    1 weight  0.10000E+01 volume  0.18528E-02 ppm1      4.146 ppm2      0.907 CV     1
 OR { 1859}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 38   and name HG1%)
 OR { 1859}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 40   and name H31%)
 ASSI { 1860}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 38   and name HG2%)
      3.700     1.700     1.700 peak  1860 spectrum    1 weight  0.10000E+01 volume  0.19985E-02 ppm1      4.148 ppm2      0.902 CV     1
 OR { 1860}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 38   and name HG2%)
 OR { 1860}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 40   and name H30%)
 OR { 1860}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 40   and name H31%)
 OR { 1860}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 40   and name H30%)
 OR { 1860}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 38   and name HG1%)
 OR { 1860}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 40   and name H31%)
 OR { 1860}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 38   and name HG1%)
 ASSI { 1865}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 41   and name HA  ))
      3.300     1.400     1.400 peak  1865 spectrum    1 weight  0.10000E+01 volume  0.15361E-02 ppm1      4.143 ppm2      4.263 CV     1
 OR { 1865}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 42   and name HA  ))
 ASSI { 1876}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 44   and name HB  ))
      3.500     1.600     1.600 peak  1876 spectrum    1 weight  0.10000E+01 volume  0.13735E-02 ppm1      4.292 ppm2      2.215 CV     1
 OR { 1876}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 15   and name HB  ))
 OR { 1876}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 13   and name HB2 ))
 ASSI { 1880}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 11   and name HD2%)
      2.200     0.600     0.600 peak  1880 spectrum    1 weight  0.10000E+01 volume  0.77680E-02 ppm1      4.294 ppm2      0.906 CV     1
 OR { 1880}
   (( segid "    " and resid 41   and name HA  ))
   (  segid "    " and resid 41   and name HD1%)
 OR { 1880}
   (( segid "    " and resid 41   and name HA  ))
   (  segid "    " and resid 40   and name H31%)
 ASSI { 1881}
   (( segid "    " and resid 41   and name HA  ))
   (  segid "    " and resid 44   and name HG2%)
      2.700     0.900     0.900 peak  1881 spectrum    1 weight  0.10000E+01 volume  0.30011E-02 ppm1      4.293 ppm2      1.117 CV     1
 OR { 1881}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 14   and name HG2%)
 ASSI { 1886}
   (  segid "    " and resid 63   and name HG2%)
   (  segid "    " and resid 58   and name HG2%)
      2.300     0.700     0.700 peak  1886 spectrum    1 weight  0.10000E+01 volume  0.74071E-02 ppm1      0.900 ppm2      0.332 CV     1
 OR { 1886}
   (  segid "    " and resid 47   and name HG2%)
   (  segid "    " and resid 58   and name HG2%)
 ASSI { 1891}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 63   and name HB  ))
      2.200     0.600     0.600 peak  1891 spectrum    1 weight  0.10000E+01 volume  0.56951E-02 ppm1      0.900 ppm2      2.023 CV     1
 OR { 1891}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 11   and name HG  ))
 OR { 1891}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 63   and name HB  ))
 OR { 1891}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 43   and name HB1 ))
 OR { 1891}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 43   and name HB1 ))
 OR { 1891}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 14   and name HG11))
 ASSI { 1894}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 43   and name HA  ))
      3.700     1.700     1.700 peak  1894 spectrum    1 weight  0.10000E+01 volume  0.75149E-03 ppm1      0.904 ppm2      4.000 CV     1
 OR { 1894}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 64   and name HA  ))
 OR { 1894}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 48   and name HA  ))
 OR { 1894}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 50   and name HA  ))
 OR { 1894}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 64   and name HA  ))
 ASSI { 1901}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 47   and name HB  ))
      2.000     0.500     0.500 peak  1901 spectrum    1 weight  0.10000E+01 volume  0.11267E-01 ppm1      0.906 ppm2      2.234 CV     1
 OR { 1901}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 40   and name H2A ))
 OR { 1901}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 40   and name H2B ))
 ASSI { 1902}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 41   and name HG  ))
      2.600     0.800     0.800 peak  1902 spectrum    1 weight  0.10000E+01 volume  0.40122E-02 ppm1      0.905 ppm2      1.715 CV     1
 OR { 1902}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 58   and name HB  ))
 ASSI { 1903}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 41   and name HB2 ))
      2.500     0.800     0.800 peak  1903 spectrum    1 weight  0.10000E+01 volume  0.46034E-02 ppm1      0.904 ppm2      1.659 CV     1
 OR { 1903}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 58   and name HB  ))
 OR { 1903}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 58   and name HB  ))
 ASSI { 1904}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 41   and name HB2 ))
      2.800     1.000     1.000 peak  1904 spectrum    1 weight  0.10000E+01 volume  0.25050E-02 ppm1      0.905 ppm2      1.617 CV     1
 OR { 1904}
   (  segid "    " and resid 63   and name HG2%)
   (  segid "    " and resid 72   and name HB% )
 ASSI { 1906}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 41   and name HN  ))
      3.600     1.700     1.700 peak  1906 spectrum    1 weight  0.10000E+01 volume  0.11336E-02 ppm1      0.905 ppm2      8.117 CV     1
 OR { 1906}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 46   and name HN  ))
 ASSI { 1907}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 41   and name HN  ))
      3.500     1.500     1.500 peak  1907 spectrum    1 weight  0.10000E+01 volume  0.16158E-02 ppm1      0.906 ppm2      8.075 CV     1
 OR { 1907}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 46   and name HN  ))
 OR { 1907}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 40   and name H41A))
 ASSI { 1909}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 48   and name HN  ))
      4.100     2.100     1.900 peak  1909 spectrum    1 weight  0.10000E+01 volume  0.13749E-02 ppm1      0.906 ppm2      7.908 CV     1
 OR { 1909}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 49   and name HN  ))
 ASSI { 1913}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      4.300     2.300     1.700 peak  1913 spectrum    1 weight  0.10000E+01 volume  0.45526E-03 ppm1      4.290 ppm2      8.074 CV     1
 OR { 1913}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 41   and name HN  ))
 ASSI { 1914}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HN  ))
      2.600     0.800     0.800 peak  1914 spectrum    1 weight  0.10000E+01 volume  0.28069E-02 ppm1      4.292 ppm2      8.388 CV     1
 OR { 1914}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
 ASSI { 1915}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 42   and name HN  ))
      2.800     1.000     1.000 peak  1915 spectrum    1 weight  0.10000E+01 volume  0.34497E-02 ppm1      3.980 ppm2      8.388 CV     1
 OR { 1915}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 43   and name HN  ))
 OR { 1915}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 42   and name HN  ))
 ASSI { 1925}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 45   and name HG2 ))
      3.500     1.600     1.600 peak  1925 spectrum    1 weight  0.10000E+01 volume  0.29776E-02 ppm1      4.291 ppm2      2.289 CV     1
 OR { 1925}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 45   and name HB1 ))
 OR { 1925}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 46   and name HB  ))
 ASSI { 1926}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 45   and name HB2 ))
      3.500     1.500     1.500 peak  1926 spectrum    1 weight  0.10000E+01 volume  0.69138E-03 ppm1      4.291 ppm2      2.169 CV     1
 OR { 1926}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 44   and name HB  ))
 ASSI { 1927}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 46   and name HB  ))
      4.600     2.600     1.400 peak  1927 spectrum    1 weight  0.10000E+01 volume  0.41903E-03 ppm1      3.668 ppm2      2.292 CV     1
 OR { 1927}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 43   and name HG2 ))
 OR { 1927}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 43   and name HG1 ))
 OR { 1927}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 45   and name HB1 ))
 OR { 1927}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 45   and name HG2 ))
 ASSI { 1929}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 46   and name HB  ))
      5.100     3.300     0.900 peak  1929 spectrum    1 weight  0.10000E+01 volume  0.32747E-03 ppm1      3.985 ppm2      2.282 CV     1
 OR { 1929}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 36   and name HB1 ))
 OR { 1929}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 45   and name HB1 ))
 OR { 1929}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 45   and name HG2 ))
 OR { 1929}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 43   and name HG2 ))
 OR { 1929}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 43   and name HG1 ))
 OR { 1929}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 43   and name HG1 ))
 OR { 1929}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 43   and name HG2 ))
 ASSI { 1932}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 18   and name HB  ))
      3.300     1.400     1.400 peak  1932 spectrum    1 weight  0.10000E+01 volume  0.37831E-03 ppm1      3.986 ppm2      1.645 CV     1
 OR { 1932}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 18   and name HG11))
 OR { 1932}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 36   and name HB2 ))
 ASSI { 1933}
   (( segid "    " and resid 42   and name HB2 ))
   (  segid "    " and resid 46   and name HG2%)
      2.700     0.900     0.900 peak  1933 spectrum    1 weight  0.10000E+01 volume  0.51621E-02 ppm1      3.669 ppm2      0.946 CV     1
 OR { 1933}
   (( segid "    " and resid 42   and name HB2 ))
   (  segid "    " and resid 18   and name HG2%)
 OR { 1933}
   (( segid "    " and resid 42   and name HB2 ))
   (  segid "    " and resid 38   and name HG2%)
 ASSI { 1935}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 18   and name HG2%)
      2.400     0.700     0.700 peak  1935 spectrum    1 weight  0.10000E+01 volume  0.35795E-02 ppm1      4.291 ppm2      0.956 CV     1
 OR { 1935}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 46   and name HG2%)
 ASSI { 1944}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 43   and name HN  ))
      2.400     0.700     0.700 peak  1944 spectrum    1 weight  0.10000E+01 volume  0.21052E-02 ppm1      1.946 ppm2      8.362 CV     1
 OR { 1944}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 42   and name HN  ))
 ASSI { 1948}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 43   and name HA  ))
      2.800     1.000     1.000 peak  1948 spectrum    1 weight  0.10000E+01 volume  0.17181E-02 ppm1      1.946 ppm2      3.972 CV     1
 OR { 1948}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 42   and name HB1 ))
 ASSI { 1950}
   (( segid "    " and resid 43   and name HB1 ))
   (( segid "    " and resid 43   and name HA  ))
      2.800     1.000     1.000 peak  1950 spectrum    1 weight  0.10000E+01 volume  0.21285E-02 ppm1      2.025 ppm2      3.977 CV     1
 OR { 1950}
   (( segid "    " and resid 43   and name HB1 ))
   (( segid "    " and resid 42   and name HB1 ))
 ASSI { 1951}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 44   and name HA  ))
      5.000     3.200     1.000 peak  1951 spectrum    1 weight  0.10000E+01 volume  0.16855E-03 ppm1      3.974 ppm2      3.575 CV     1
 OR { 1951}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 15   and name HA  ))
 ASSI { 1956}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 46   and name HB  ))
      1.900     0.400     0.400 peak  1956 spectrum    1 weight  0.10000E+01 volume  0.10041E-01 ppm1      3.975 ppm2      2.294 CV     1
 OR { 1956}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HG2 ))
 OR { 1956}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HG1 ))
 ASSI { 1957}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 43   and name HG2 ))
      2.400     0.700     0.700 peak  1957 spectrum    1 weight  0.10000E+01 volume  0.48085E-02 ppm1      1.946 ppm2      2.291 CV     1
 OR { 1957}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 43   and name HG1 ))
 OR { 1957}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 40   and name H2A ))
 OR { 1957}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 46   and name HB  ))
 ASSI { 1960}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 43   and name HE% )
      3.000     1.100     1.100 peak  1960 spectrum    1 weight  0.10000E+01 volume  0.24400E-02 ppm1      3.971 ppm2      1.459 CV     1
 OR { 1960}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 50   and name HB% )
 ASSI { 1961}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 46   and name HG1%)
      3.900     1.900     1.900 peak  1961 spectrum    1 weight  0.10000E+01 volume  0.14301E-02 ppm1      3.975 ppm2      0.669 CV     1
 OR { 1961}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 40   and name H6% )
 ASSI { 1963}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 46   and name HG2%)
      2.600     0.900     0.900 peak  1963 spectrum    1 weight  0.10000E+01 volume  0.53228E-02 ppm1      3.975 ppm2      0.941 CV     1
 OR { 1963}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 47   and name HG2%)
 OR { 1963}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 40   and name H5B ))
 OR { 1963}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 63   and name HG2%)
 OR { 1963}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 40   and name H5A ))
 OR { 1963}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 38   and name HG2%)
 ASSI { 1964}
   (( segid "    " and resid 43   and name HB2 ))
   (  segid "    " and resid 63   and name HG2%)
      3.800     1.800     1.800 peak  1964 spectrum    1 weight  0.10000E+01 volume  0.13541E-02 ppm1      1.941 ppm2      0.923 CV     1
 OR { 1964}
   (( segid "    " and resid 43   and name HB2 ))
   (  segid "    " and resid 47   and name HG2%)
 OR { 1964}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 40   and name H5B ))
 OR { 1964}
   (( segid "    " and resid 43   and name HB2 ))
   (  segid "    " and resid 38   and name HG1%)
 OR { 1964}
   (( segid "    " and resid 43   and name HB2 ))
   (  segid "    " and resid 44   and name HG1%)
 OR { 1964}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 40   and name H5A ))
 OR { 1964}
   (( segid "    " and resid 43   and name HB2 ))
   (  segid "    " and resid 38   and name HG2%)
 OR { 1964}
   (( segid "    " and resid 43   and name HB2 ))
   (  segid "    " and resid 18   and name HG2%)
 ASSI { 1965}
   (( segid "    " and resid 46   and name HB  ))
   (( segid "    " and resid 43   and name HA  ))
      2.100     0.600     0.600 peak  1965 spectrum    1 weight  0.10000E+01 volume  0.51406E-02 ppm1      2.298 ppm2      3.976 CV     1
 OR { 1965}
   (( segid "    " and resid 69   and name HB  ))
   (( segid "    " and resid 70   and name HA1 ))
 ASSI { 1967}
   (( segid "    " and resid 46   and name HB  ))
   (( segid "    " and resid 46   and name HN  ))
      2.200     0.600     0.600 peak  1967 spectrum    1 weight  0.10000E+01 volume  0.59358E-02 ppm1      2.297 ppm2      8.088 CV     1
 OR { 1967}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 16   and name HD22))
 ASSI { 1969}
   (( segid "    " and resid 43   and name HG1 ))
   (( segid "    " and resid 40   and name HA  ))
      3.900     1.900     1.900 peak  1969 spectrum    1 weight  0.10000E+01 volume  0.10520E-02 ppm1      2.292 ppm2      4.150 CV     1
 OR { 1969}
   (( segid "    " and resid 43   and name HG2 ))
   (( segid "    " and resid 60   and name HA  ))
 OR { 1969}
   (( segid "    " and resid 43   and name HG1 ))
   (( segid "    " and resid 60   and name HA  ))
 OR { 1969}
   (( segid "    " and resid 43   and name HG2 ))
   (( segid "    " and resid 40   and name HA  ))
 OR { 1969}
   (( segid "    " and resid 43   and name HG1 ))
   (( segid "    " and resid 72   and name HA  ))
 ASSI { 1970}
   (( segid "    " and resid 43   and name HG1 ))
   (( segid "    " and resid 40   and name H42A))
      4.500     2.500     1.500 peak  1970 spectrum    1 weight  0.10000E+01 volume  0.60322E-03 ppm1      2.298 ppm2      3.177 CV     1
 OR { 1970}
   (( segid "    " and resid 43   and name HG1 ))
   (( segid "    " and resid 40   and name H42B))
 OR { 1970}
   (( segid "    " and resid 43   and name HG2 ))
   (( segid "    " and resid 40   and name H42A))
 OR { 1970}
   (( segid "    " and resid 43   and name HG1 ))
   (( segid "    " and resid 63   and name HA  ))
 OR { 1970}
   (( segid "    " and resid 43   and name HG2 ))
   (( segid "    " and resid 63   and name HA  ))
 OR { 1970}
   (( segid "    " and resid 43   and name HG2 ))
   (( segid "    " and resid 40   and name H42B))
 OR { 1970}
   (( segid "    " and resid 43   and name HG2 ))
   (( segid "    " and resid 32   and name HB1 ))
 OR { 1970}
   (( segid "    " and resid 43   and name HG2 ))
   (( segid "    " and resid 32   and name HB2 ))
 ASSI { 1973}
   (( segid "    " and resid 43   and name HG2 ))
   (  segid "    " and resid 63   and name HG2%)
      2.500     0.800     0.800 peak  1973 spectrum    1 weight  0.10000E+01 volume  0.54402E-02 ppm1      2.291 ppm2      0.916 CV     1
 OR { 1973}
   (( segid "    " and resid 15   and name HB  ))
   (  segid "    " and resid 26   and name HG2%)
 OR { 1973}
   (( segid "    " and resid 43   and name HG1 ))
   (  segid "    " and resid 63   and name HG2%)
 OR { 1973}
   (( segid "    " and resid 43   and name HG2 ))
   (  segid "    " and resid 47   and name HG2%)
 OR { 1973}
   (( segid "    " and resid 43   and name HG1 ))
   (  segid "    " and resid 47   and name HG2%)
 OR { 1973}
   (( segid "    " and resid 43   and name HG1 ))
   (( segid "    " and resid 66   and name HB2 ))
 OR { 1973}
   (( segid "    " and resid 43   and name HG1 ))
   (  segid "    " and resid 38   and name HG2%)
 OR { 1973}
   (( segid "    " and resid 43   and name HG2 ))
   (( segid "    " and resid 66   and name HB2 ))
 OR { 1973}
   (( segid "    " and resid 43   and name HG2 ))
   (  segid "    " and resid 38   and name HG1%)
 OR { 1973}
   (( segid "    " and resid 43   and name HG2 ))
   (  segid "    " and resid 38   and name HG2%)
 OR { 1973}
   (( segid "    " and resid 43   and name HG1 ))
   (  segid "    " and resid 11   and name HD2%)
 OR { 1973}
   (( segid "    " and resid 15   and name HB  ))
   (  segid "    " and resid 38   and name HG2%)
 ASSI { 1976}
   (( segid "    " and resid 44   and name HB  ))
   (( segid "    " and resid 45   and name HN  ))
      2.600     0.900     0.900 peak  1976 spectrum    1 weight  0.10000E+01 volume  0.36162E-02 ppm1      2.218 ppm2      6.990 CV     1
 OR { 1976}
   (( segid "    " and resid 15   and name HB  ))
   (  segid "    " and resid 32   and name HE% )
 ASSI { 1989}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 46   and name HN  ))
      3.800     1.800     1.800 peak  1989 spectrum    1 weight  0.10000E+01 volume  0.13599E-02 ppm1      1.118 ppm2      8.080 CV     1
 OR { 1989}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 40   and name H41A))
 OR { 1989}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 46   and name HN  ))
 ASSI { 1990}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 40   and name H36A))
      3.900     1.900     1.900 peak  1990 spectrum    1 weight  0.10000E+01 volume  0.13032E-02 ppm1      1.118 ppm2      8.018 CV     1
 OR { 1990}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 47   and name HN  ))
 OR { 1990}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 47   and name HN  ))
 ASSI { 1995}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 45   and name HA  ))
      3.100     1.200     1.200 peak  1995 spectrum    1 weight  0.10000E+01 volume  0.43327E-02 ppm1      1.116 ppm2      4.060 CV     1
 OR { 1995}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 45   and name HA  ))
 ASSI { 1997}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 16   and name HD22))
      3.300     1.400     1.400 peak  1997 spectrum    1 weight  0.10000E+01 volume  0.67320E-03 ppm1      3.578 ppm2      8.083 CV     1
 OR { 1997}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
 ASSI { 1998}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      3.200     1.300     1.300 peak  1998 spectrum    1 weight  0.10000E+01 volume  0.16206E-02 ppm1      3.581 ppm2      7.996 CV     1
 OR { 1998}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 40   and name H36A))
 ASSI { 1999}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
      3.700     1.700     1.700 peak  1999 spectrum    1 weight  0.10000E+01 volume  0.72861E-03 ppm1      3.579 ppm2      7.892 CV     1
 OR { 1999}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
 ASSI { 2003}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 43   and name HA  ))
      4.000     2.000     2.000 peak  2003 spectrum    1 weight  0.10000E+01 volume  0.60085E-03 ppm1      3.585 ppm2      3.958 CV     1
 OR { 2003}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 13   and name HA  ))
 OR { 2003}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 40   and name H32A))
 OR { 2003}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 48   and name HA  ))
 ASSI { 2006}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 43   and name HB2 ))
      4.000     2.000     2.000 peak  2006 spectrum    1 weight  0.10000E+01 volume  0.81270E-03 ppm1      1.119 ppm2      1.925 CV     1
 OR { 2006}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 41   and name HB1 ))
 ASSI { 2009}
   (  segid "    " and resid 26   and name HG2%)
   (  segid "    " and resid 32   and name HE% )
      3.000     1.100     1.100 peak  2009 spectrum    1 weight  0.10000E+01 volume  0.16279E-02 ppm1      0.973 ppm2      6.991 CV     1
 OR { 2009}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 45   and name HN  ))
 ASSI { 2010}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 44   and name HB  ))
      2.200     0.600     0.600 peak  2010 spectrum    1 weight  0.10000E+01 volume  0.11210E-01 ppm1      0.973 ppm2      2.210 CV     1
 OR { 2010}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 15   and name HB  ))
 ASSI { 2012}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 45   and name HN  ))
      3.400     1.500     1.500 peak  2012 spectrum    1 weight  0.10000E+01 volume  0.28519E-02 ppm1      2.293 ppm2      6.990 CV     1
 OR { 2012}
   (( segid "    " and resid 26   and name HB  ))
   (  segid "    " and resid 32   and name HE% )
 ASSI { 2014}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 45   and name HA  ))
      2.600     0.800     0.800 peak  2014 spectrum    1 weight  0.10000E+01 volume  0.39991E-02 ppm1      2.296 ppm2      4.058 CV     1
 OR { 2014}
   (( segid "    " and resid 26   and name HB  ))
   (( segid "    " and resid 12   and name HA  ))
 OR { 2014}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 10   and name HA1 ))
 ASSI { 2018}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HB1 ))
      2.400     0.700     0.700 peak  2018 spectrum    1 weight  0.10000E+01 volume  0.79653E-02 ppm1      4.063 ppm2      2.282 CV     1
 OR { 2018}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HG2 ))
 OR { 2018}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HG2 ))
 OR { 2018}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HG1 ))
 ASSI { 2021}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 45   and name HG1 ))
      2.400     0.700     0.700 peak  2021 spectrum    1 weight  0.10000E+01 volume  0.76309E-02 ppm1      2.287 ppm2      2.443 CV     1
 OR { 2021}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 17   and name HG1 ))
 ASSI { 2022}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 44   and name HG1%)
      3.400     1.400     1.400 peak  2022 spectrum    1 weight  0.10000E+01 volume  0.23999E-02 ppm1      4.061 ppm2      0.987 CV     1
 OR { 2022}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 48   and name HG1%)
 OR { 2022}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 46   and name HG2%)
 OR { 2022}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 18   and name HG2%)
 ASSI { 2023}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 47   and name HG1%)
      5.100     3.200     0.900 peak  2023 spectrum    1 weight  0.10000E+01 volume  0.29994E-03 ppm1      4.066 ppm2      0.876 CV     1
 OR { 2023}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 47   and name HG2%)
 ASSI { 2025}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 18   and name HG2%)
      3.400     1.400     1.400 peak  2025 spectrum    1 weight  0.10000E+01 volume  0.24391E-02 ppm1      2.157 ppm2      0.959 CV     1
 OR { 2025}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 46   and name HG2%)
 OR { 2025}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 46   and name HG2%)
 OR { 2025}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 44   and name HG1%)
 OR { 2025}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 18   and name HG2%)
 ASSI { 2027}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 18   and name HG12))
      4.800     2.800     1.200 peak  2027 spectrum    1 weight  0.10000E+01 volume  0.40684E-03 ppm1      2.304 ppm2      1.318 CV     1
 OR { 2027}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 18   and name HG12))
 OR { 2027}
   (( segid "    " and resid 26   and name HB  ))
   (( segid "    " and resid 11   and name HB2 ))
 OR { 2027}
   (( segid "    " and resid 26   and name HB  ))
   (( segid "    " and resid 21   and name HG12))
 OR { 2027}
   (( segid "    " and resid 26   and name HB  ))
   (( segid "    " and resid 21   and name HG11))
 OR { 2027}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI { 2029}
   (( segid "    " and resid 45   and name HB1 ))
   (  segid "    " and resid 48   and name HG2%)
      5.300     3.500     0.700 peak  2029 spectrum    1 weight  0.10000E+01 volume  0.34748E-03 ppm1      2.290 ppm2      1.122 CV     1
 OR { 2029}
   (( segid "    " and resid 45   and name HB1 ))
   (  segid "    " and resid 44   and name HG2%)
 OR { 2029}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 53   and name HB2 ))
 OR { 2029}
   (( segid "    " and resid 26   and name HB  ))
   (  segid "    " and resid 73   and name HG2%)
 ASSI { 2030}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 48   and name HG2%)
      3.200     1.300     1.300 peak  2030 spectrum    1 weight  0.10000E+01 volume  0.35132E-02 ppm1      4.061 ppm2      1.113 CV     1
 OR { 2030}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 14   and name HG2%)
 OR { 2030}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 44   and name HG2%)
 ASSI { 2031}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 42   and name HA  ))
      4.300     2.300     1.700 peak  2031 spectrum    1 weight  0.10000E+01 volume  0.10991E-02 ppm1      2.296 ppm2      4.290 CV     1
 OR { 2031}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 49   and name HA  ))
 OR { 2031}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 11   and name HA  ))
 OR { 2031}
   (( segid "    " and resid 26   and name HB  ))
   (( segid "    " and resid 21   and name HA  ))
 OR { 2031}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 42   and name HA  ))
 ASSI { 2032}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 42   and name HA  ))
      3.400     1.400     1.400 peak  2032 spectrum    1 weight  0.10000E+01 volume  0.10190E-02 ppm1      2.158 ppm2      4.289 CV     1
 OR { 2032}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 49   and name HA  ))
 ASSI { 2033}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 46   and name HN  ))
      3.700     1.700     1.700 peak  2033 spectrum    1 weight  0.10000E+01 volume  0.15864E-02 ppm1      2.291 ppm2      8.080 CV     1
 OR { 2033}
   (( segid "    " and resid 26   and name HB  ))
   (( segid "    " and resid 16   and name HD22))
 ASSI { 2034}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 46   and name HN  ))
      3.100     1.200     1.200 peak  2034 spectrum    1 weight  0.10000E+01 volume  0.11128E-02 ppm1      2.159 ppm2      8.080 CV     1
 OR { 2034}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 54   and name HN  ))
 ASSI { 2036}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
      2.900     1.000     1.000 peak  2036 spectrum    1 weight  0.10000E+01 volume  0.24884E-02 ppm1      4.061 ppm2      7.900 CV     1
 OR { 2036}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
 ASSI { 2043}
   (( segid "    " and resid 45   and name HG1 ))
   (( segid "    " and resid 46   and name HN  ))
      4.700     2.800     1.300 peak  2043 spectrum    1 weight  0.10000E+01 volume  0.63058E-03 ppm1      2.450 ppm2      8.086 CV     1
 OR { 2043}
   (( segid "    " and resid 52   and name HG1 ))
   (( segid "    " and resid 54   and name HN  ))
 ASSI { 2044}
   (( segid "    " and resid 45   and name HG2 ))
   (( segid "    " and resid 46   and name HN  ))
      4.300     2.300     1.700 peak  2044 spectrum    1 weight  0.10000E+01 volume  0.96362E-03 ppm1      2.279 ppm2      8.079 CV     1
 OR { 2044}
   (( segid "    " and resid 13   and name HG2 ))
   (( segid "    " and resid 16   and name HD22))
 OR { 2044}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 16   and name HD22))
 ASSI { 2045}
   (( segid "    " and resid 17   and name HG1 ))
   (( segid "    " and resid 18   and name HN  ))
      4.300     2.300     1.700 peak  2045 spectrum    1 weight  0.10000E+01 volume  0.88076E-03 ppm1      2.439 ppm2      8.203 CV     1
 OR { 2045}
   (( segid "    " and resid 52   and name HG1 ))
   (( segid "    " and resid 53   and name HN  ))
 ASSI { 2046}
   (( segid "    " and resid 45   and name HG1 ))
   (( segid "    " and resid 42   and name HA  ))
      3.600     1.600     1.600 peak  2046 spectrum    1 weight  0.10000E+01 volume  0.12288E-02 ppm1      2.450 ppm2      4.283 CV     1
 OR { 2046}
   (( segid "    " and resid 52   and name HG1 ))
   (( segid "    " and resid 49   and name HA  ))
 ASSI { 2047}
   (( segid "    " and resid 13   and name HG2 ))
   (( segid "    " and resid 11   and name HA  ))
      3.900     1.900     1.900 peak  2047 spectrum    1 weight  0.10000E+01 volume  0.11002E-02 ppm1      2.278 ppm2      4.294 CV     1
 OR { 2047}
   (( segid "    " and resid 45   and name HG2 ))
   (( segid "    " and resid 42   and name HA  ))
 OR { 2047}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 22   and name HA  ))
 OR { 2047}
   (( segid "    " and resid 24   and name HG1 ))
   (( segid "    " and resid 22   and name HA  ))
 OR { 2047}
   (( segid "    " and resid 24   and name HG1 ))
   (( segid "    " and resid 21   and name HA  ))
 ASSI { 2050}
   (( segid "    " and resid 45   and name HG2 ))
   (( segid "    " and resid 45   and name HA  ))
      2.600     0.900     0.900 peak  2050 spectrum    1 weight  0.10000E+01 volume  0.66105E-02 ppm1      2.285 ppm2      4.056 CV     1
 OR { 2050}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 24   and name HA  ))
 OR { 2050}
   (( segid "    " and resid 24   and name HG1 ))
   (( segid "    " and resid 24   and name HA  ))
 OR { 2050}
   (( segid "    " and resid 13   and name HG2 ))
   (( segid "    " and resid 10   and name HA1 ))
 ASSI { 2051}
   (( segid "    " and resid 45   and name HG1 ))
   (( segid "    " and resid 45   and name HB2 ))
      2.000     0.500     0.500 peak  2051 spectrum    1 weight  0.10000E+01 volume  0.13773E-01 ppm1      2.445 ppm2      2.150 CV     1
 OR { 2051}
   (( segid "    " and resid 17   and name HG1 ))
   (( segid "    " and resid 17   and name HB2 ))
 OR { 2051}
   (( segid "    " and resid 52   and name HG1 ))
   (( segid "    " and resid 52   and name HB1 ))
 ASSI { 2053}
   (( segid "    " and resid 45   and name HG1 ))
   (  segid "    " and resid 49   and name HB% )
      4.600     2.700     1.400 peak  2053 spectrum    1 weight  0.10000E+01 volume  0.40156E-03 ppm1      2.444 ppm2      1.534 CV     1
 OR { 2053}
   (( segid "    " and resid 17   and name HG1 ))
   (  segid "    " and resid 49   and name HB% )
 OR { 2053}
   (( segid "    " and resid 52   and name HG1 ))
   (  segid "    " and resid 50   and name HB% )
 OR { 2053}
   (( segid "    " and resid 17   and name HG1 ))
   (  segid "    " and resid 19   and name HB% )
 OR { 2053}
   (( segid "    " and resid 45   and name HG1 ))
   (  segid "    " and resid 50   and name HB% )
 ASSI { 2054}
   (( segid "    " and resid 13   and name HG2 ))
   (  segid "    " and resid 9    and name HB% )
      4.200     2.200     1.800 peak  2054 spectrum    1 weight  0.10000E+01 volume  0.59591E-03 ppm1      2.283 ppm2      1.531 CV     1
 OR { 2054}
   (( segid "    " and resid 52   and name HG2 ))
   (  segid "    " and resid 49   and name HB% )
 OR { 2054}
   (( segid "    " and resid 45   and name HG2 ))
   (  segid "    " and resid 49   and name HB% )
 OR { 2054}
   (( segid "    " and resid 13   and name HG2 ))
   (  segid "    " and resid 49   and name HB% )
 OR { 2054}
   (( segid "    " and resid 17   and name HG2 ))
   (  segid "    " and resid 49   and name HB% )
 OR { 2054}
   (( segid "    " and resid 13   and name HG2 ))
   (  segid "    " and resid 50   and name HB% )
 OR { 2054}
   (( segid "    " and resid 52   and name HG2 ))
   (  segid "    " and resid 50   and name HB% )
 OR { 2054}
   (( segid "    " and resid 17   and name HG2 ))
   (  segid "    " and resid 19   and name HB% )
 OR { 2054}
   (( segid "    " and resid 45   and name HG2 ))
   (  segid "    " and resid 50   and name HB% )
 ASSI { 2055}
   (( segid "    " and resid 45   and name HG1 ))
   (  segid "    " and resid 44   and name HG2%)
      4.500     2.600     1.500 peak  2055 spectrum    1 weight  0.10000E+01 volume  0.70403E-03 ppm1      2.450 ppm2      1.118 CV     1
 OR { 2055}
   (( segid "    " and resid 45   and name HG1 ))
   (  segid "    " and resid 48   and name HG2%)
 OR { 2055}
   (( segid "    " and resid 52   and name HG1 ))
   (( segid "    " and resid 53   and name HB2 ))
 ASSI { 2056}
   (( segid "    " and resid 17   and name HG2 ))
   (  segid "    " and resid 14   and name HG2%)
      4.800     2.800     1.200 peak  2056 spectrum    1 weight  0.10000E+01 volume  0.56819E-03 ppm1      2.268 ppm2      1.112 CV     1
 OR { 2056}
   (( segid "    " and resid 45   and name HG2 ))
   (  segid "    " and resid 44   and name HG2%)
 OR { 2056}
   (( segid "    " and resid 45   and name HG2 ))
   (  segid "    " and resid 48   and name HG2%)
 OR { 2056}
   (( segid "    " and resid 13   and name HG2 ))
   (  segid "    " and resid 14   and name HG2%)
 OR { 2056}
   (( segid "    " and resid 45   and name HG2 ))
   (  segid "    " and resid 14   and name HG2%)
 OR { 2056}
   (( segid "    " and resid 52   and name HG2 ))
   (( segid "    " and resid 53   and name HB2 ))
 ASSI { 2057}
   (( segid "    " and resid 45   and name HG1 ))
   (  segid "    " and resid 18   and name HG2%)
      3.400     1.400     1.400 peak  2057 spectrum    1 weight  0.10000E+01 volume  0.23398E-02 ppm1      2.450 ppm2      0.971 CV     1
 OR { 2057}
   (( segid "    " and resid 45   and name HG1 ))
   (  segid "    " and resid 44   and name HG1%)
 OR { 2057}
   (( segid "    " and resid 45   and name HG1 ))
   (  segid "    " and resid 46   and name HG2%)
 OR { 2057}
   (( segid "    " and resid 17   and name HG1 ))
   (  segid "    " and resid 46   and name HG2%)
 OR { 2057}
   (( segid "    " and resid 17   and name HG1 ))
   (  segid "    " and resid 18   and name HG2%)
 ASSI { 2058}
   (( segid "    " and resid 45   and name HG2 ))
   (  segid "    " and resid 44   and name HG1%)
      3.000     1.100     1.100 peak  2058 spectrum    1 weight  0.10000E+01 volume  0.33741E-02 ppm1      2.277 ppm2      0.966 CV     1
 OR { 2058}
   (( segid "    " and resid 24   and name HG2 ))
   (  segid "    " and resid 23   and name HG2%)
 OR { 2058}
   (( segid "    " and resid 45   and name HG2 ))
   (  segid "    " and resid 46   and name HG2%)
 OR { 2058}
   (( segid "    " and resid 24   and name HG1 ))
   (  segid "    " and resid 23   and name HG2%)
 OR { 2058}
   (( segid "    " and resid 45   and name HG2 ))
   (  segid "    " and resid 48   and name HG1%)
 OR { 2058}
   (( segid "    " and resid 24   and name HG1 ))
   (  segid "    " and resid 21   and name HG2%)
 OR { 2058}
   (( segid "    " and resid 17   and name HG2 ))
   (  segid "    " and resid 46   and name HG2%)
 OR { 2058}
   (( segid "    " and resid 24   and name HG2 ))
   (  segid "    " and resid 21   and name HG2%)
 OR { 2058}
   (( segid "    " and resid 24   and name HG1 ))
   (  segid "    " and resid 26   and name HG2%)
 OR { 2058}
   (( segid "    " and resid 24   and name HG2 ))
   (  segid "    " and resid 26   and name HG2%)
 OR { 2058}
   (( segid "    " and resid 17   and name HG2 ))
   (  segid "    " and resid 18   and name HG2%)
 OR { 2058}
   (( segid "    " and resid 13   and name HG2 ))
   (  segid "    " and resid 26   and name HG2%)
 OR { 2058}
   (( segid "    " and resid 13   and name HG2 ))
   (  segid "    " and resid 46   and name HG2%)
 OR { 2058}
   (( segid "    " and resid 13   and name HG2 ))
   (  segid "    " and resid 23   and name HG1%)
 ASSI { 2060}
   (( segid "    " and resid 45   and name HG2 ))
   (  segid "    " and resid 18   and name HD1%)
      4.100     2.200     1.900 peak  2060 spectrum    1 weight  0.10000E+01 volume  0.17043E-02 ppm1      2.280 ppm2      0.778 CV     1
 OR { 2060}
   (( segid "    " and resid 13   and name HG2 ))
   (  segid "    " and resid 14   and name HD1%)
 OR { 2060}
   (( segid "    " and resid 17   and name HG2 ))
   (  segid "    " and resid 18   and name HD1%)
 ASSI { 2061}
   (( segid "    " and resid 47   and name HB  ))
   (  segid "    " and resid 47   and name HG2%)
      2.000     0.500     0.500 peak  2061 spectrum    1 weight  0.10000E+01 volume  0.14770E-01 ppm1      2.224 ppm2      0.890 CV     1
 OR { 2061}
   (( segid "    " and resid 47   and name HB  ))
   (  segid "    " and resid 47   and name HG1%)
 OR { 2061}
   (( segid "    " and resid 15   and name HB  ))
   (  segid "    " and resid 26   and name HG2%)
 OR { 2061}
   (( segid "    " and resid 44   and name HB  ))
   (  segid "    " and resid 40   and name H31%)
 ASSI { 2066}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 43   and name HA  ))
      4.700     2.700     1.300 peak  2066 spectrum    1 weight  0.10000E+01 volume  0.50853E-03 ppm1      3.427 ppm2      3.963 CV     1
 OR { 2066}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 70   and name HA1 ))
 OR { 2066}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 50   and name HA  ))
 OR { 2066}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 42   and name HB1 ))
 ASSI { 2068}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 14   and name HB  ))
      4.000     2.000     2.000 peak  2068 spectrum    1 weight  0.10000E+01 volume  0.61222E-03 ppm1      3.420 ppm2      2.131 CV     1
 OR { 2068}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 45   and name HB2 ))
 OR { 2068}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 66   and name HB1 ))
 ASSI { 2069}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 14   and name HB  ))
      4.300     2.400     1.700 peak  2069 spectrum    1 weight  0.10000E+01 volume  0.43663E-03 ppm1      3.425 ppm2      2.067 CV     1
 OR { 2069}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 48   and name HB  ))
 OR { 2069}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 30   and name HB1 ))
 ASSI { 2070}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 40   and name H3A ))
      3.900     1.900     1.900 peak  2070 spectrum    1 weight  0.10000E+01 volume  0.47902E-03 ppm1      3.427 ppm2      1.182 CV     1
 OR { 2070}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 15   and name HG2%)
 ASSI { 2072}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 14   and name HD1%)
      2.800     1.000     1.000 peak  2072 spectrum    1 weight  0.10000E+01 volume  0.55014E-02 ppm1      3.426 ppm2      0.778 CV     1
 OR { 2072}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 18   and name HD1%)
 OR { 2072}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 26   and name HG1%)
 ASSI { 2073}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 46   and name HG2%)
      2.200     0.600     0.600 peak  2073 spectrum    1 weight  0.10000E+01 volume  0.78950E-02 ppm1      3.426 ppm2      0.976 CV     1
 OR { 2073}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 40   and name H5A ))
 OR { 2073}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 40   and name H5B ))
 ASSI { 2074}
   (( segid "    " and resid 69   and name HB  ))
   (  segid "    " and resid 69   and name HG2%)
      1.900     0.500     0.500 peak  2074 spectrum    1 weight  0.10000E+01 volume  0.12801E-01 ppm1      2.290 ppm2      0.659 CV     1
 OR { 2074}
   (( segid "    " and resid 46   and name HB  ))
   (  segid "    " and resid 46   and name HG1%)
 ASSI { 2075}
   (( segid "    " and resid 46   and name HB  ))
   (  segid "    " and resid 46   and name HG2%)
      2.000     0.500     0.500 peak  2075 spectrum    1 weight  0.10000E+01 volume  0.86605E-02 ppm1      2.291 ppm2      0.984 CV     1
 OR { 2075}
   (( segid "    " and resid 15   and name HB  ))
   (  segid "    " and resid 15   and name HG1%)
 OR { 2075}
   (( segid "    " and resid 15   and name HB  ))
   (  segid "    " and resid 21   and name HG2%)
 OR { 2075}
   (( segid "    " and resid 46   and name HB  ))
   (( segid "    " and resid 40   and name H5B ))
 OR { 2075}
   (( segid "    " and resid 15   and name HB  ))
   (  segid "    " and resid 46   and name HG2%)
 ASSI { 2077}
   (( segid "    " and resid 69   and name HB  ))
   (( segid "    " and resid 69   and name HA  ))
      2.700     0.900     0.900 peak  2077 spectrum    1 weight  0.10000E+01 volume  0.25969E-02 ppm1      2.295 ppm2      3.406 CV     1
 OR { 2077}
   (( segid "    " and resid 46   and name HB  ))
   (( segid "    " and resid 46   and name HA  ))
 OR { 2077}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 69   and name HA  ))
 ASSI { 2080}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      3.200     1.300     1.300 peak  2080 spectrum    1 weight  0.10000E+01 volume  0.13793E-02 ppm1      3.424 ppm2      7.899 CV     1
 OR { 2080}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
 ASSI { 2082}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      3.900     1.900     1.900 peak  2082 spectrum    1 weight  0.10000E+01 volume  0.64164E-03 ppm1      3.428 ppm2      8.809 CV     1
 OR { 2082}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
 OR { 2082}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
 ASSI { 2083}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 46   and name HA  ))
      2.300     0.600     0.600 peak  2083 spectrum    1 weight  0.10000E+01 volume  0.74953E-02 ppm1      0.983 ppm2      3.426 CV     1
 OR { 2083}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 69   and name HA  ))
 ASSI { 2085}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 43   and name HA  ))
      3.900     1.900     1.900 peak  2085 spectrum    1 weight  0.10000E+01 volume  0.17281E-02 ppm1      0.671 ppm2      3.972 CV     1
 OR { 2085}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 70   and name HA1 ))
 OR { 2085}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 50   and name HA  ))
 ASSI { 2086}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 11   and name HA  ))
      3.800     1.800     1.800 peak  2086 spectrum    1 weight  0.10000E+01 volume  0.46235E-03 ppm1      0.672 ppm2      4.259 CV     1
 OR { 2086}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 49   and name HA  ))
 ASSI { 2091}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 49   and name HN  ))
      4.500     2.500     1.500 peak  2091 spectrum    1 weight  0.10000E+01 volume  0.41270E-03 ppm1      0.672 ppm2      7.903 CV     1
 OR { 2091}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 48   and name HN  ))
 ASSI { 2092}
   (  segid "    " and resid 69   and name HG2%)
   (  segid "    " and resid 32   and name HE% )
      3.000     1.100     1.100 peak  2092 spectrum    1 weight  0.10000E+01 volume  0.13681E-02 ppm1      0.672 ppm2      6.985 CV     1
 OR { 2092}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 45   and name HN  ))
 ASSI { 2094}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 18   and name HN  ))
      3.700     1.700     1.700 peak  2094 spectrum    1 weight  0.10000E+01 volume  0.12965E-02 ppm1      0.985 ppm2      8.200 CV     1
 OR { 2094}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 18   and name HN  ))
 OR { 2094}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 39   and name HN  ))
 OR { 2094}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 14   and name HN  ))
 OR { 2094}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 32   and name HN  ))
 ASSI { 2095}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 46   and name HN  ))
      2.200     0.600     0.600 peak  2095 spectrum    1 weight  0.10000E+01 volume  0.80585E-02 ppm1      0.983 ppm2      8.080 CV     1
 OR { 2095}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 16   and name HD22))
 OR { 2095}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 38   and name HN  ))
 ASSI { 2097}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 15   and name HN  ))
      3.800     1.800     1.800 peak  2097 spectrum    1 weight  0.10000E+01 volume  0.81553E-03 ppm1      0.669 ppm2      8.808 CV     1
 OR { 2097}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 50   and name HN  ))
 ASSI { 2099}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 46   and name HB  ))
      1.900     0.500     0.500 peak  2099 spectrum    1 weight  0.10000E+01 volume  0.13107E-01 ppm1      0.989 ppm2      2.282 CV     1
 OR { 2099}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 15   and name HB  ))
 OR { 2099}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 36   and name HB1 ))
 OR { 2099}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 45   and name HB1 ))
 ASSI { 2101}
   (  segid "    " and resid 69   and name HG2%)
   (  segid "    " and resid 72   and name HB% )
      4.300     2.400     1.700 peak  2101 spectrum    1 weight  0.10000E+01 volume  0.51913E-03 ppm1      0.673 ppm2      1.624 CV     1
 OR { 2101}
   (  segid "    " and resid 46   and name HG1%)
   (  segid "    " and resid 72   and name HB% )
 OR { 2101}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 18   and name HG11))
 OR { 2101}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 18   and name HB  ))
 OR { 2101}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 53   and name HB1 ))
 ASSI { 2102}
   (  segid "    " and resid 46   and name HG1%)
   (  segid "    " and resid 50   and name HB% )
      2.800     0.900     0.900 peak  2102 spectrum    1 weight  0.10000E+01 volume  0.29912E-02 ppm1      0.670 ppm2      1.476 CV     1
 OR { 2102}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 28   and name HB2 ))
 OR { 2102}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 36   and name HG  ))
 ASSI { 2103}
   (  segid "    " and resid 46   and name HG1%)
   (  segid "    " and resid 15   and name HG2%)
      2.500     0.800     0.800 peak  2103 spectrum    1 weight  0.10000E+01 volume  0.37338E-02 ppm1      0.671 ppm2      1.177 CV     1
 OR { 2103}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 40   and name H3A ))
 ASSI { 2104}
   (  segid "    " and resid 69   and name HG2%)
   (  segid "    " and resid 8    and name HG2%)
      2.700     0.900     0.900 peak  2104 spectrum    1 weight  0.10000E+01 volume  0.69782E-02 ppm1      0.672 ppm2      1.070 CV     1
 OR { 2104}
   (  segid "    " and resid 46   and name HG1%)
   (  segid "    " and resid 14   and name HG2%)
 OR { 2104}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 14   and name HG12))
 OR { 2104}
   (  segid "    " and resid 69   and name HG2%)
   (  segid "    " and resid 68   and name HG2%)
 ASSI { 2105}
   (  segid "    " and resid 46   and name HG1%)
   (  segid "    " and resid 46   and name HG2%)
      2.000     0.500     0.500 peak  2105 spectrum    1 weight  0.10000E+01 volume  0.13721E-01 ppm1      0.671 ppm2      0.984 CV     1
 OR { 2105}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 40   and name H5B ))
 OR { 2105}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 40   and name H5A ))
 ASSI { 2106}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      3.100     1.200     1.200 peak  2106 spectrum    1 weight  0.10000E+01 volume  0.13852E-02 ppm1      3.294 ppm2      8.822 CV     1
 OR { 2106}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
 ASSI { 2109}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
      3.500     1.500     1.500 peak  2109 spectrum    1 weight  0.10000E+01 volume  0.10870E-02 ppm1      3.295 ppm2      7.903 CV     1
 OR { 2109}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
 ASSI { 2111}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 48   and name HG2%)
      4.900     3.000     1.100 peak  2111 spectrum    1 weight  0.10000E+01 volume  0.52689E-03 ppm1      3.290 ppm2      1.123 CV     1
 OR { 2111}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 44   and name HG2%)
 OR { 2111}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 40   and name H3B ))
 ASSI { 2112}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 47   and name HG2%)
      2.200     0.600     0.600 peak  2112 spectrum    1 weight  0.10000E+01 volume  0.11302E-01 ppm1      3.294 ppm2      0.891 CV     1
 OR { 2112}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 47   and name HG1%)
 OR { 2112}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 11   and name HD2%)
 ASSI { 2114}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 50   and name HB% )
      2.500     0.800     0.800 peak  2114 spectrum    1 weight  0.10000E+01 volume  0.38425E-02 ppm1      3.295 ppm2      1.499 CV     1
 OR { 2114}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 49   and name HB% )
 ASSI { 2115}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 40   and name H6% )
      2.900     1.100     1.100 peak  2115 spectrum    1 weight  0.10000E+01 volume  0.24472E-02 ppm1      3.296 ppm2      0.645 CV     1
 OR { 2115}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 46   and name HG1%)
 OR { 2115}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 53   and name HG2 ))
 ASSI { 2117}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 48   and name HA  ))
      4.600     2.600     1.400 peak  2117 spectrum    1 weight  0.10000E+01 volume  0.39992E-03 ppm1      3.301 ppm2      3.975 CV     1
 OR { 2117}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 50   and name HA  ))
 OR { 2117}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 43   and name HA  ))
 ASSI { 2118}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 51   and name HB1 ))
      4.500     2.600     1.500 peak  2118 spectrum    1 weight  0.10000E+01 volume  0.78854E-03 ppm1      0.868 ppm2      2.473 CV     1
 OR { 2118}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 61   and name HB2 ))
 ASSI { 2120}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 48   and name HB  ))
      4.400     2.400     1.600 peak  2120 spectrum    1 weight  0.10000E+01 volume  0.59724E-03 ppm1      0.868 ppm2      2.074 CV     1
 OR { 2120}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 51   and name HB2 ))
 ASSI { 2121}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 58   and name HB  ))
      2.700     0.900     0.900 peak  2121 spectrum    1 weight  0.10000E+01 volume  0.48099E-02 ppm1      0.868 ppm2      1.686 CV     1
 OR { 2121}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 57   and name HD2 ))
 OR { 2121}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 57   and name HB2 ))
 OR { 2121}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 57   and name HB1 ))
 ASSI { 2122}
   (  segid "    " and resid 47   and name HG1%)
   (  segid "    " and resid 50   and name HB% )
      3.900     1.900     1.900 peak  2122 spectrum    1 weight  0.10000E+01 volume  0.11826E-02 ppm1      0.866 ppm2      1.511 CV     1
 OR { 2122}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 58   and name HG11))
 OR { 2122}
   (  segid "    " and resid 47   and name HG1%)
   (  segid "    " and resid 49   and name HB% )
 ASSI { 2123}
   (  segid "    " and resid 47   and name HG1%)
   (  segid "    " and resid 50   and name HB% )
      3.600     1.600     1.600 peak  2123 spectrum    1 weight  0.10000E+01 volume  0.17660E-02 ppm1      0.869 ppm2      1.482 CV     1
 OR { 2123}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 58   and name HG11))
 ASSI { 2128}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 60   and name HA  ))
      4.400     2.400     1.600 peak  2128 spectrum    1 weight  0.10000E+01 volume  0.53799E-03 ppm1      0.871 ppm2      4.227 CV     1
 OR { 2128}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 51   and name HA  ))
 ASSI { 2133}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 51   and name HN  ))
      4.000     2.000     2.000 peak  2133 spectrum    1 weight  0.10000E+01 volume  0.78621E-03 ppm1      0.867 ppm2      8.844 CV     1
 OR { 2133}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 50   and name HN  ))
 ASSI { 2135}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 48   and name HN  ))
      2.900     1.100     1.100 peak  2135 spectrum    1 weight  0.10000E+01 volume  0.19452E-02 ppm1      0.869 ppm2      7.896 CV     1
 OR { 2135}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 49   and name HN  ))
 ASSI { 2136}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 62   and name HN  ))
      6.000     4.700     0.000 peak  2136 spectrum    1 weight  0.10000E+01 volume  0.10225E-03 ppm1      0.868 ppm2      7.553 CV     1
 OR { 2136}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 63   and name HN  ))
 ASSI { 2138}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 46   and name HN  ))
      6.000     4.800     0.000 peak  2138 spectrum    1 weight  0.10000E+01 volume  0.16661E-03 ppm1      0.869 ppm2      8.101 CV     1
 OR { 2138}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 54   and name HN  ))
 ASSI { 2139}
   (  segid "    " and resid 47   and name HG2%)
   (  segid "    " and resid 50   and name HB% )
      3.100     1.200     1.200 peak  2139 spectrum    1 weight  0.10000E+01 volume  0.24798E-02 ppm1      0.906 ppm2      1.457 CV     1
 OR { 2139}
   (  segid "    " and resid 63   and name HG2%)
   (  segid "    " and resid 43   and name HE% )
 OR { 2139}
   (  segid "    " and resid 63   and name HG2%)
   (  segid "    " and resid 50   and name HB% )
 ASSI { 2151}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HB  ))
      2.400     0.700     0.700 peak  2151 spectrum    1 weight  0.10000E+01 volume  0.50469E-02 ppm1      3.953 ppm2      2.071 CV     1
 OR { 2151}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 51   and name HB2 ))
 ASSI { 2152}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 49   and name HB% )
      4.900     2.900     1.100 peak  2152 spectrum    1 weight  0.10000E+01 volume  0.37327E-03 ppm1      3.952 ppm2      1.494 CV     1
 OR { 2152}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 50   and name HB% )
 ASSI { 2155}
   (( segid "    " and resid 48   and name HB  ))
   (( segid "    " and resid 45   and name HA  ))
      2.800     1.000     1.000 peak  2155 spectrum    1 weight  0.10000E+01 volume  0.39700E-02 ppm1      2.062 ppm2      4.058 CV     1
 OR { 2155}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 32   and name HA  ))
 OR { 2155}
   (( segid "    " and resid 23   and name HB  ))
   (( segid "    " and resid 24   and name HA  ))
 OR { 2155}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 31   and name HB1 ))
 OR { 2155}
   (( segid "    " and resid 23   and name HB  ))
   (( segid "    " and resid 12   and name HA  ))
 OR { 2155}
   (( segid "    " and resid 8    and name HB  ))
   (( segid "    " and resid 10   and name HA1 ))
 ASSI { 2156}
   (( segid "    " and resid 8    and name HB  ))
   (( segid "    " and resid 5    and name HA  ))
      2.600     0.800     0.800 peak  2156 spectrum    1 weight  0.10000E+01 volume  0.37592E-02 ppm1      2.061 ppm2      3.948 CV     1
 OR { 2156}
   (( segid "    " and resid 48   and name HB  ))
   (( segid "    " and resid 48   and name HA  ))
 ASSI { 2157}
   (( segid "    " and resid 23   and name HB  ))
   (( segid "    " and resid 16   and name HD22))
      4.500     2.600     1.500 peak  2157 spectrum    1 weight  0.10000E+01 volume  0.53059E-03 ppm1      2.070 ppm2      8.084 CV     1
 OR { 2157}
   (( segid "    " and resid 63   and name HB  ))
   (( segid "    " and resid 40   and name H41A))
 OR { 2157}
   (( segid "    " and resid 48   and name HB  ))
   (( segid "    " and resid 46   and name HN  ))
 OR { 2157}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 38   and name HN  ))
 ASSI { 2158}
   (( segid "    " and resid 48   and name HB  ))
   (( segid "    " and resid 48   and name HN  ))
      2.100     0.600     0.600 peak  2158 spectrum    1 weight  0.10000E+01 volume  0.90680E-02 ppm1      2.065 ppm2      7.901 CV     1
 OR { 2158}
   (( segid "    " and resid 48   and name HB  ))
   (( segid "    " and resid 49   and name HN  ))
 ASSI { 2160}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
      2.500     0.800     0.800 peak  2160 spectrum    1 weight  0.10000E+01 volume  0.50917E-02 ppm1      3.953 ppm2      7.902 CV     1
 OR { 2160}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
 ASSI { 2162}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      3.100     1.200     1.200 peak  2162 spectrum    1 weight  0.10000E+01 volume  0.19943E-02 ppm1      3.952 ppm2      8.855 CV     1
 OR { 2162}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
 ASSI { 2163}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 51   and name HB1 ))
      4.400     2.500     1.600 peak  2163 spectrum    1 weight  0.10000E+01 volume  0.82385E-03 ppm1      1.118 ppm2      2.489 CV     1
 OR { 2163}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 45   and name HG1 ))
 OR { 2163}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 40   and name H38A))
 OR { 2163}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 40   and name H38B))
 ASSI { 2167}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 51   and name HN  ))
      5.200     3.400     0.800 peak  2167 spectrum    1 weight  0.10000E+01 volume  0.38146E-03 ppm1      1.111 ppm2      8.844 CV     1
 OR { 2167}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 50   and name HN  ))
 ASSI { 2170}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 47   and name HA  ))
      5.600     4.000     0.400 peak  2170 spectrum    1 weight  0.10000E+01 volume  0.23601E-03 ppm1      1.120 ppm2      3.282 CV     1
 OR { 2170}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 47   and name HA  ))
 ASSI { 2172}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 46   and name HN  ))
      3.400     1.400     1.400 peak  2172 spectrum    1 weight  0.10000E+01 volume  0.67653E-03 ppm1      1.532 ppm2      8.084 CV     1
 OR { 2172}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 54   and name HN  ))
 ASSI { 2179}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 50   and name HA  ))
      3.500     1.600     1.600 peak  2179 spectrum    1 weight  0.10000E+01 volume  0.13854E-02 ppm1      1.534 ppm2      3.956 CV     1
 OR { 2179}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 48   and name HA  ))
 ASSI { 2180}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 14   and name HA  ))
      2.800     2.800     3.200 peak  2180 spectrum    1 weight  0.10000E+01 volume  0.10073E-02 ppm1      1.533 ppm2      3.817 CV     1
 OR { 2180}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 59   and name HD1 ))
 ASSI { 2181}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 15   and name HA  ))
      3.700     3.700     2.300 peak  2181 spectrum    1 weight  0.10000E+01 volume  0.37918E-03 ppm1      1.528 ppm2      3.615 CV     1
 OR { 2181}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 44   and name HA  ))
 OR { 2181}
   (  segid "    " and resid 1    and name HB% )
   (( segid "    " and resid 79   and name HB1 ))
 ASSI { 2184}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 45   and name HB1 ))
      3.700     1.700     1.700 peak  2184 spectrum    1 weight  0.10000E+01 volume  0.65630E-03 ppm1      1.531 ppm2      2.276 CV     1
 OR { 2184}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 46   and name HB  ))
 OR { 2184}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 52   and name HG2 ))
 OR { 2184}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 51   and name HG2 ))
 OR { 2184}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 13   and name HG2 ))
 ASSI { 2185}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 14   and name HB  ))
      3.600     1.600     1.600 peak  2185 spectrum    1 weight  0.10000E+01 volume  0.19123E-02 ppm1      1.532 ppm2      2.082 CV     1
 OR { 2185}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 52   and name HB2 ))
 OR { 2185}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 51   and name HB2 ))
 ASSI { 2191}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 46   and name HG1%)
      4.500     2.500     1.500 peak  2191 spectrum    1 weight  0.10000E+01 volume  0.54900E-03 ppm1      1.534 ppm2      0.648 CV     1
 OR { 2191}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 53   and name HG2 ))
 ASSI { 2192}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      2.500     0.800     0.800 peak  2192 spectrum    1 weight  0.10000E+01 volume  0.35469E-02 ppm1      3.964 ppm2      8.817 CV     1
 OR { 2192}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
 ASSI { 2194}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 52   and name HB1 ))
      4.600     2.700     1.400 peak  2194 spectrum    1 weight  0.10000E+01 volume  0.28996E-03 ppm1      3.965 ppm2      2.109 CV     1
 OR { 2194}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 51   and name HB2 ))
 ASSI { 2195}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 14   and name HG11))
      5.600     3.900     0.400 peak  2195 spectrum    1 weight  0.10000E+01 volume  0.12424E-03 ppm1      3.964 ppm2      2.017 CV     1
 OR { 2195}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 52   and name HB2 ))
 OR { 2195}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 11   and name HG  ))
 OR { 2195}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 56   and name HB  ))
 ASSI { 2196}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 14   and name HG11))
      4.900     3.000     1.100 peak  2196 spectrum    1 weight  0.10000E+01 volume  0.30117E-03 ppm1      3.964 ppm2      1.987 CV     1
 OR { 2196}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 11   and name HG  ))
 OR { 2196}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 56   and name HB  ))
 ASSI { 2199}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 53   and name HB2 ))
      3.600     1.700     1.700 peak  2199 spectrum    1 weight  0.10000E+01 volume  0.36543E-02 ppm1      3.963 ppm2      1.083 CV     1
 OR { 2199}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 14   and name HG12))
 ASSI { 2200}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 47   and name HG2%)
      5.000     3.200     1.000 peak  2200 spectrum    1 weight  0.10000E+01 volume  0.21776E-03 ppm1      3.960 ppm2      0.953 CV     1
 OR { 2200}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 56   and name HG1%)
 OR { 2200}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 76   and name HG12))
 OR { 2200}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 48   and name HG1%)
 OR { 2200}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 56   and name HG2%)
 ASSI { 2201}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 53   and name HG1 ))
      3.700     1.700     1.700 peak  2201 spectrum    1 weight  0.10000E+01 volume  0.13969E-02 ppm1      3.962 ppm2      0.870 CV     1
 OR { 2201}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 11   and name HD2%)
 ASSI { 2204}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 58   and name HD1%)
      5.100     3.300     0.900 peak  2204 spectrum    1 weight  0.10000E+01 volume  0.20261E-03 ppm1      3.965 ppm2      0.567 CV     1
 OR { 2204}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 76   and name HD1%)
 OR { 2204}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 76   and name HG2%)
 OR { 2204}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 7    and name HG2%)
 ASSI { 2206}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 53   and name HB2 ))
      4.700     2.800     1.300 peak  2206 spectrum    1 weight  0.10000E+01 volume  0.74642E-03 ppm1      1.494 ppm2      1.129 CV     1
 OR { 2206}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 40   and name H3B ))
 OR { 2206}
   (  segid "    " and resid 50   and name HB% )
   (  segid "    " and resid 73   and name HG2%)
 ASSI { 2207}
   (  segid "    " and resid 50   and name HB% )
   (  segid "    " and resid 14   and name HG2%)
      3.700     1.700     1.700 peak  2207 spectrum    1 weight  0.10000E+01 volume  0.17442E-02 ppm1      1.498 ppm2      1.066 CV     1
 OR { 2207}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 14   and name HG12))
 OR { 2207}
   (  segid "    " and resid 9    and name HB% )
   (  segid "    " and resid 8    and name HG2%)
 OR { 2207}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 53   and name HB2 ))
 ASSI { 2209}
   (  segid "    " and resid 50   and name HB% )
   (  segid "    " and resid 11   and name HD2%)
      2.300     0.700     0.700 peak  2209 spectrum    1 weight  0.10000E+01 volume  0.66036E-02 ppm1      1.498 ppm2      0.872 CV     1
 OR { 2209}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 53   and name HG1 ))
 OR { 2209}
   (  segid "    " and resid 9    and name HB% )
   (  segid "    " and resid 8    and name HG1%)
 OR { 2209}
   (  segid "    " and resid 50   and name HB% )
   (  segid "    " and resid 47   and name HG2%)
 OR { 2209}
   (  segid "    " and resid 50   and name HB% )
   (  segid "    " and resid 11   and name HD1%)
 OR { 2209}
   (  segid "    " and resid 50   and name HB% )
   (  segid "    " and resid 47   and name HG1%)
 ASSI { 2210}
   (  segid "    " and resid 50   and name HB% )
   (  segid "    " and resid 14   and name HD1%)
      2.600     0.900     0.900 peak  2210 spectrum    1 weight  0.10000E+01 volume  0.31763E-02 ppm1      1.497 ppm2      0.748 CV     1
 OR { 2210}
   (  segid "    " and resid 9    and name HB% )
   (  segid "    " and resid 26   and name HG1%)
 ASSI { 2215}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 14   and name HB  ))
      3.300     1.400     1.400 peak  2215 spectrum    1 weight  0.10000E+01 volume  0.11649E-02 ppm1      1.499 ppm2      2.097 CV     1
 OR { 2215}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 11   and name HB1 ))
 OR { 2215}
   (  segid "    " and resid 9    and name HB% )
   (( segid "    " and resid 5    and name HB1 ))
 OR { 2215}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 51   and name HB2 ))
 OR { 2215}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 52   and name HB1 ))
 OR { 2215}
   (  segid "    " and resid 9    and name HB% )
   (( segid "    " and resid 11   and name HB1 ))
 ASSI { 2216}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 11   and name HG  ))
      3.700     1.700     1.700 peak  2216 spectrum    1 weight  0.10000E+01 volume  0.14869E-02 ppm1      1.504 ppm2      2.001 CV     1
 OR { 2216}
   (  segid "    " and resid 9    and name HB% )
   (( segid "    " and resid 8    and name HB  ))
 OR { 2216}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 14   and name HG11))
 OR { 2216}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 76   and name HG11))
 OR { 2216}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 52   and name HB2 ))
 OR { 2216}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 56   and name HB  ))
 OR { 2216}
   (  segid "    " and resid 9    and name HB% )
   (( segid "    " and resid 11   and name HG  ))
 ASSI { 2219}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 53   and name HD2 ))
      5.200     3.400     0.800 peak  2219 spectrum    1 weight  0.10000E+01 volume  0.18588E-03 ppm1      1.503 ppm2      2.708 CV     1
 OR { 2219}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 54   and name HB2 ))
 ASSI { 2221}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 53   and name HD2 ))
      3.700     1.700     1.700 peak  2221 spectrum    1 weight  0.10000E+01 volume  0.40283E-03 ppm1      3.968 ppm2      2.722 CV     1
 OR { 2221}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 54   and name HB2 ))
 ASSI { 2222}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 46   and name HA  ))
      4.700     2.700     1.300 peak  2222 spectrum    1 weight  0.10000E+01 volume  0.47720E-03 ppm1      1.496 ppm2      3.426 CV     1
 OR { 2222}
   (  segid "    " and resid 9    and name HB% )
   (( segid "    " and resid 8    and name HA  ))
 OR { 2222}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 54   and name HB1 ))
 ASSI { 2224}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 49   and name HA  ))
      6.000     6.000     0.000 peak  2224 spectrum    1 weight  0.10000E+01 volume  0.18941E-04 ppm1      3.963 ppm2      4.239 CV     1
 OR { 2224}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 11   and name HA  ))
 ASSI { 2226}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      5.700     4.000     0.300 peak  2226 spectrum    1 weight  0.10000E+01 volume  0.14445E-03 ppm1      3.955 ppm2      7.920 CV     1
 OR { 2226}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
 ASSI { 2238}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      2.700     0.900     0.900 peak  2238 spectrum    1 weight  0.10000E+01 volume  0.30690E-02 ppm1      4.183 ppm2      8.860 CV     1
 OR { 2238}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
 ASSI { 2243}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 56   and name HB  ))
      4.600     2.700     1.400 peak  2243 spectrum    1 weight  0.10000E+01 volume  0.49793E-03 ppm1      4.184 ppm2      2.016 CV     1
 OR { 2243}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 52   and name HB2 ))
 OR { 2243}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 76   and name HG11))
 OR { 2243}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 59   and name HG1 ))
 ASSI { 2245}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 58   and name HB  ))
      5.700     4.000     0.300 peak  2245 spectrum    1 weight  0.10000E+01 volume  0.18167E-03 ppm1      4.186 ppm2      1.642 CV     1
 OR { 2245}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 57   and name HD2 ))
 OR { 2245}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 57   and name HD1 ))
 OR { 2245}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 53   and name HB1 ))
 ASSI { 2246}
   (( segid "    " and resid 51   and name HA  ))
   (  segid "    " and resid 50   and name HB% )
      3.700     1.700     1.700 peak  2246 spectrum    1 weight  0.10000E+01 volume  0.87455E-03 ppm1      4.183 ppm2      1.541 CV     1
 OR { 2246}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 58   and name HG11))
 ASSI { 2249}
   (( segid "    " and resid 51   and name HA  ))
   (  segid "    " and resid 56   and name HG1%)
      3.100     1.200     1.200 peak  2249 spectrum    1 weight  0.10000E+01 volume  0.40623E-02 ppm1      4.187 ppm2      0.941 CV     1
 OR { 2249}
   (( segid "    " and resid 51   and name HA  ))
   (  segid "    " and resid 56   and name HG2%)
 OR { 2249}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 76   and name HG12))
 OR { 2249}
   (( segid "    " and resid 51   and name HA  ))
   (  segid "    " and resid 47   and name HG2%)
 ASSI { 2250}
   (( segid "    " and resid 51   and name HA  ))
   (  segid "    " and resid 58   and name HD1%)
      3.800     1.800     1.800 peak  2250 spectrum    1 weight  0.10000E+01 volume  0.57157E-03 ppm1      4.181 ppm2      0.569 CV     1
 OR { 2250}
   (( segid "    " and resid 51   and name HA  ))
   (  segid "    " and resid 76   and name HG2%)
 OR { 2250}
   (( segid "    " and resid 51   and name HA  ))
   (  segid "    " and resid 76   and name HD1%)
 ASSI { 2251}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 50   and name HA  ))
      4.500     2.600     1.500 peak  2251 spectrum    1 weight  0.10000E+01 volume  0.42037E-03 ppm1      4.182 ppm2      3.977 CV     1
 OR { 2251}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 48   and name HA  ))
 ASSI { 2253}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 47   and name HA  ))
      5.300     3.500     0.700 peak  2253 spectrum    1 weight  0.10000E+01 volume  0.20407E-03 ppm1      4.184 ppm2      3.282 CV     1
 OR { 2253}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 55   and name HB1 ))
 ASSI { 2255}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 55   and name HA  ))
      4.100     2.100     1.900 peak  2255 spectrum    1 weight  0.10000E+01 volume  0.48766E-03 ppm1      4.188 ppm2      4.508 CV     1
 OR { 2255}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 58   and name HA  ))
 ASSI { 2258}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 57   and name HN  ))
      3.500     1.500     1.500 peak  2258 spectrum    1 weight  0.10000E+01 volume  0.52438E-03 ppm1      4.186 ppm2      8.188 CV     1
 OR { 2258}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
 ASSI { 2261}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
      2.600     0.900     0.900 peak  2261 spectrum    1 weight  0.10000E+01 volume  0.39264E-02 ppm1      4.186 ppm2      7.827 CV     1
 OR { 2261}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
 ASSI { 2266}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 55   and name HN  ))
      4.800     2.900     1.200 peak  2266 spectrum    1 weight  0.10000E+01 volume  0.59934E-03 ppm1      2.114 ppm2      7.829 CV     1
 OR { 2266}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 56   and name HN  ))
 ASSI { 2270}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 58   and name HA  ))
      5.600     3.900     0.400 peak  2270 spectrum    1 weight  0.10000E+01 volume  0.22742E-03 ppm1      2.832 ppm2      4.505 CV     1
 OR { 2270}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 55   and name HA  ))
 ASSI { 2272}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 48   and name HA  ))
      3.300     1.300     1.300 peak  2272 spectrum    1 weight  0.10000E+01 volume  0.10084E-02 ppm1      2.827 ppm2      3.955 CV     1
 OR { 2272}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 50   and name HA  ))
 ASSI { 2274}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 58   and name HA  ))
      5.600     3.900     0.400 peak  2274 spectrum    1 weight  0.10000E+01 volume  0.13229E-03 ppm1      2.300 ppm2      4.510 CV     1
 OR { 2274}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 55   and name HA  ))
 ASSI { 2277}
   (( segid "    " and resid 5    and name HG2 ))
   (( segid "    " and resid 5    and name HA  ))
      2.800     1.000     1.000 peak  2277 spectrum    1 weight  0.10000E+01 volume  0.31643E-02 ppm1      2.316 ppm2      3.940 CV     1
 OR { 2277}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 48   and name HA  ))
 ASSI { 2279}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 58   and name HB  ))
      4.200     2.300     1.800 peak  2279 spectrum    1 weight  0.10000E+01 volume  0.97568E-03 ppm1      2.825 ppm2      1.681 CV     1
 OR { 2279}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 57   and name HB2 ))
 OR { 2279}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 57   and name HB1 ))
 OR { 2279}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 57   and name HD2 ))
 OR { 2279}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 57   and name HD1 ))
 ASSI { 2280}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 58   and name HG11))
      3.600     1.600     1.600 peak  2280 spectrum    1 weight  0.10000E+01 volume  0.11636E-02 ppm1      2.828 ppm2      1.524 CV     1
 OR { 2280}
   (( segid "    " and resid 51   and name HG1 ))
   (  segid "    " and resid 50   and name HB% )
 ASSI { 2282}
   (( segid "    " and resid 5    and name HG2 ))
   (( segid "    " and resid 5    and name HB1 ))
      2.300     0.700     0.700 peak  2282 spectrum    1 weight  0.10000E+01 volume  0.80256E-02 ppm1      2.306 ppm2      2.104 CV     1
 OR { 2282}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 51   and name HB2 ))
 ASSI { 2283}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 58   and name HB  ))
      4.100     2.100     1.900 peak  2283 spectrum    1 weight  0.10000E+01 volume  0.90547E-03 ppm1      2.300 ppm2      1.674 CV     1
 OR { 2283}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 57   and name HB2 ))
 OR { 2283}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 57   and name HD2 ))
 OR { 2283}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 57   and name HB1 ))
 ASSI { 2284}
   (( segid "    " and resid 51   and name HG2 ))
   (  segid "    " and resid 50   and name HB% )
      3.500     1.500     1.500 peak  2284 spectrum    1 weight  0.10000E+01 volume  0.14389E-02 ppm1      2.301 ppm2      1.533 CV     1
 OR { 2284}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 58   and name HG11))
 ASSI { 2285}
   (( segid "    " and resid 51   and name HG1 ))
   (  segid "    " and resid 48   and name HG2%)
      3.900     1.900     1.900 peak  2285 spectrum    1 weight  0.10000E+01 volume  0.21545E-03 ppm1      2.825 ppm2      1.111 CV     1
 OR { 2285}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 53   and name HB2 ))
 OR { 2285}
   (( segid "    " and resid 51   and name HG1 ))
   (  segid "    " and resid 44   and name HG2%)
 ASSI { 2286}
   (( segid "    " and resid 51   and name HG1 ))
   (  segid "    " and resid 47   and name HG1%)
      2.600     0.800     0.800 peak  2286 spectrum    1 weight  0.10000E+01 volume  0.28148E-02 ppm1      2.827 ppm2      0.870 CV     1
 OR { 2286}
   (( segid "    " and resid 51   and name HG1 ))
   (  segid "    " and resid 47   and name HG2%)
 OR { 2286}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 58   and name HG12))
 ASSI { 2287}
   (( segid "    " and resid 51   and name HG2 ))
   (  segid "    " and resid 48   and name HG2%)
      3.800     1.800     1.800 peak  2287 spectrum    1 weight  0.10000E+01 volume  0.26476E-03 ppm1      2.304 ppm2      1.108 CV     1
 OR { 2287}
   (( segid "    " and resid 5    and name HG2 ))
   (  segid "    " and resid 73   and name HG2%)
 OR { 2287}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 53   and name HB2 ))
 OR { 2287}
   (( segid "    " and resid 51   and name HG2 ))
   (  segid "    " and resid 44   and name HG2%)
 OR { 2287}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 40   and name H3B ))
 ASSI { 2288}
   (( segid "    " and resid 51   and name HG2 ))
   (  segid "    " and resid 48   and name HG1%)
      4.600     2.600     1.400 peak  2288 spectrum    1 weight  0.10000E+01 volume  0.54763E-03 ppm1      2.291 ppm2      0.985 CV     1
 OR { 2288}
   (( segid "    " and resid 51   and name HG2 ))
   (  segid "    " and resid 56   and name HG2%)
 OR { 2288}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 40   and name H5B ))
 OR { 2288}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 40   and name H5A ))
 ASSI { 2289}
   (( segid "    " and resid 51   and name HG2 ))
   (  segid "    " and resid 47   and name HG1%)
      3.100     1.200     1.200 peak  2289 spectrum    1 weight  0.10000E+01 volume  0.22625E-02 ppm1      2.300 ppm2      0.872 CV     1
 OR { 2289}
   (( segid "    " and resid 51   and name HG2 ))
   (  segid "    " and resid 47   and name HG2%)
 OR { 2289}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 58   and name HG12))
 OR { 2289}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 76   and name HG12))
 ASSI { 2293}
   (( segid "    " and resid 51   and name HG2 ))
   (  segid "    " and resid 40   and name H6% )
      4.700     2.700     1.300 peak  2293 spectrum    1 weight  0.10000E+01 volume  0.50547E-03 ppm1      2.303 ppm2      0.656 CV     1
 OR { 2293}
   (( segid "    " and resid 51   and name HG2 ))
   (  segid "    " and resid 76   and name HD1%)
 OR { 2293}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 53   and name HG2 ))
 ASSI { 2294}
   (( segid "    " and resid 51   and name HG2 ))
   (  segid "    " and resid 58   and name HD1%)
      3.300     1.400     1.400 peak  2294 spectrum    1 weight  0.10000E+01 volume  0.10454E-02 ppm1      2.300 ppm2      0.574 CV     1
 OR { 2294}
   (( segid "    " and resid 51   and name HG2 ))
   (  segid "    " and resid 76   and name HD1%)
 ASSI { 2298}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 51   and name HN  ))
      2.400     0.700     0.700 peak  2298 spectrum    1 weight  0.10000E+01 volume  0.34368E-02 ppm1      2.828 ppm2      8.858 CV     1
 OR { 2298}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 50   and name HN  ))
 ASSI { 2300}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 48   and name HN  ))
      4.600     2.600     1.400 peak  2300 spectrum    1 weight  0.10000E+01 volume  0.24076E-03 ppm1      2.825 ppm2      7.887 CV     1
 OR { 2300}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 49   and name HN  ))
 ASSI { 2301}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 56   and name HN  ))
      6.000     5.200     0.000 peak  2301 spectrum    1 weight  0.10000E+01 volume  0.12988E-03 ppm1      2.827 ppm2      7.818 CV     1
 OR { 2301}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 55   and name HN  ))
 ASSI { 2304}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 56   and name HN  ))
      5.100     3.300     0.900 peak  2304 spectrum    1 weight  0.10000E+01 volume  0.32367E-03 ppm1      2.293 ppm2      7.836 CV     1
 OR { 2304}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 55   and name HN  ))
 ASSI { 2305}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 52   and name HN  ))
      4.300     2.300     1.700 peak  2305 spectrum    1 weight  0.10000E+01 volume  0.42119E-03 ppm1      2.305 ppm2      7.723 CV     1
 OR { 2305}
   (( segid "    " and resid 5    and name HG2 ))
   (( segid "    " and resid 6    and name HN  ))
 ASSI { 2307}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 51   and name HN  ))
      3.100     1.200     1.200 peak  2307 spectrum    1 weight  0.10000E+01 volume  0.27885E-02 ppm1      2.308 ppm2      8.860 CV     1
 OR { 2307}
   (( segid "    " and resid 5    and name HG2 ))
   (( segid "    " and resid 5    and name HN  ))
 ASSI { 2309}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 6    and name HN  ))
      2.500     0.800     0.800 peak  2309 spectrum    1 weight  0.10000E+01 volume  0.33373E-02 ppm1      2.141 ppm2      7.723 CV     1
 OR { 2309}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 52   and name HN  ))
 ASSI { 2318}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 6    and name HA  ))
      2.600     0.800     0.800 peak  2318 spectrum    1 weight  0.10000E+01 volume  0.46587E-02 ppm1      2.141 ppm2      4.120 CV     1
 OR { 2318}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 52   and name HA  ))
 ASSI { 2321}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 54   and name HZ  ))
      5.700     4.000     0.300 peak  2321 spectrum    1 weight  0.10000E+01 volume  0.13839E-03 ppm1      4.126 ppm2      7.457 CV     1
 OR { 2321}
   (( segid "    " and resid 52   and name HA  ))
   (  segid "    " and resid 54   and name HD% )
 OR { 2321}
   (( segid "    " and resid 6    and name HA  ))
   (  segid "    " and resid 54   and name HD% )
 ASSI { 2322}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HG1 ))
      2.700     0.900     0.900 peak  2322 spectrum    1 weight  0.10000E+01 volume  0.46212E-02 ppm1      4.120 ppm2      2.445 CV     1
 OR { 2322}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HG1 ))
 ASSI { 2327}
   (( segid "    " and resid 52   and name HB2 ))
   (  segid "    " and resid 49   and name HB% )
      5.000     3.100     1.000 peak  2327 spectrum    1 weight  0.10000E+01 volume  0.12006E-03 ppm1      2.050 ppm2      1.537 CV     1
 OR { 2327}
   (( segid "    " and resid 52   and name HB2 ))
   (  segid "    " and resid 50   and name HB% )
 ASSI { 2328}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 53   and name HA  ))
      5.600     3.900     0.400 peak  2328 spectrum    1 weight  0.10000E+01 volume  0.96727E-04 ppm1      2.049 ppm2      3.923 CV     1
 OR { 2328}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 50   and name HA  ))
 ASSI { 2329}
   (( segid "    " and resid 52   and name HG2 ))
   (( segid "    " and resid 52   and name HN  ))
      3.800     1.800     1.800 peak  2329 spectrum    1 weight  0.10000E+01 volume  0.12287E-02 ppm1      2.246 ppm2      7.725 CV     1
 OR { 2329}
   (( segid "    " and resid 24   and name HG1 ))
   (( segid "    " and resid 25   and name HN  ))
 OR { 2329}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 25   and name HN  ))
 ASSI { 2330}
   (( segid "    " and resid 45   and name HG2 ))
   (( segid "    " and resid 48   and name HN  ))
      5.400     3.600     0.600 peak  2330 spectrum    1 weight  0.10000E+01 volume  0.15027E-03 ppm1      2.243 ppm2      7.863 CV     1
 OR { 2330}
   (( segid "    " and resid 52   and name HG2 ))
   (( segid "    " and resid 55   and name HN  ))
 OR { 2330}
   (( segid "    " and resid 45   and name HG2 ))
   (( segid "    " and resid 49   and name HN  ))
 OR { 2330}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 20   and name HN  ))
 ASSI { 2345}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 54   and name HD% )
      5.200     3.400     0.800 peak  2345 spectrum    1 weight  0.10000E+01 volume  0.32344E-03 ppm1      3.906 ppm2      7.473 CV     1
 OR { 2345}
   (( segid "    " and resid 77   and name HA  ))
   (  segid "    " and resid 54   and name HD% )
 OR { 2345}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 54   and name HZ  ))
 ASSI { 2350}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HA  ))
      2.700     0.900     0.900 peak  2350 spectrum    1 weight  0.10000E+01 volume  0.33181E-02 ppm1      1.090 ppm2      3.933 CV     1
 OR { 2350}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 50   and name HA  ))
 ASSI { 2351}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 53   and name HA  ))
      2.600     0.900     0.900 peak  2351 spectrum    1 weight  0.10000E+01 volume  0.45819E-02 ppm1      1.610 ppm2      3.919 CV     1
 OR { 2351}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 50   and name HA  ))
 ASSI { 2354}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 80   and name HG1 ))
      3.000     1.100     1.100 peak  2354 spectrum    1 weight  0.10000E+01 volume  0.34900E-02 ppm1      3.903 ppm2      2.708 CV     1
 OR { 2354}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HD2 ))
 ASSI { 2366}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 54   and name HA  ))
      4.400     2.500     1.600 peak  2366 spectrum    1 weight  0.10000E+01 volume  0.28564E-03 ppm1      3.910 ppm2      4.824 CV     1
 OR { 2366}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 54   and name HA  ))
 ASSI { 2378}
   (( segid "    " and resid 53   and name HD1 ))
   (( segid "    " and resid 50   and name HA  ))
      3.300     1.400     1.400 peak  2378 spectrum    1 weight  0.10000E+01 volume  0.17801E-02 ppm1      2.881 ppm2      3.914 CV     1
 OR { 2378}
   (( segid "    " and resid 53   and name HD1 ))
   (( segid "    " and resid 10   and name HA2 ))
 OR { 2378}
   (( segid "    " and resid 53   and name HD1 ))
   (( segid "    " and resid 53   and name HA  ))
 ASSI { 2379}
   (( segid "    " and resid 53   and name HD2 ))
   (( segid "    " and resid 10   and name HA2 ))
      3.700     1.700     1.700 peak  2379 spectrum    1 weight  0.10000E+01 volume  0.18835E-02 ppm1      2.709 ppm2      3.907 CV     1
 OR { 2379}
   (( segid "    " and resid 53   and name HD2 ))
   (( segid "    " and resid 53   and name HA  ))
 OR { 2379}
   (( segid "    " and resid 53   and name HD2 ))
   (( segid "    " and resid 7    and name HA  ))
 ASSI { 2381}
   (( segid "    " and resid 53   and name HD1 ))
   (( segid "    " and resid 14   and name HG11))
      4.200     2.200     1.800 peak  2381 spectrum    1 weight  0.10000E+01 volume  0.48213E-03 ppm1      2.878 ppm2      1.994 CV     1
 OR { 2381}
   (( segid "    " and resid 53   and name HD1 ))
   (( segid "    " and resid 11   and name HG  ))
 ASSI { 2382}
   (( segid "    " and resid 53   and name HD2 ))
   (( segid "    " and resid 14   and name HG11))
      4.200     2.200     1.800 peak  2382 spectrum    1 weight  0.10000E+01 volume  0.35519E-03 ppm1      2.708 ppm2      1.983 CV     1
 OR { 2382}
   (( segid "    " and resid 53   and name HD2 ))
   (( segid "    " and resid 11   and name HG  ))
 ASSI { 2388}
   (( segid "    " and resid 53   and name HD1 ))
   (( segid "    " and resid 53   and name HG1 ))
      2.500     0.800     0.800 peak  2388 spectrum    1 weight  0.10000E+01 volume  0.24532E-02 ppm1      2.877 ppm2      0.865 CV     1
 OR { 2388}
   (( segid "    " and resid 53   and name HD1 ))
   (  segid "    " and resid 11   and name HD2%)
 ASSI { 2389}
   (( segid "    " and resid 53   and name HD2 ))
   (( segid "    " and resid 53   and name HG1 ))
      2.900     1.100     1.100 peak  2389 spectrum    1 weight  0.10000E+01 volume  0.22968E-02 ppm1      2.710 ppm2      0.863 CV     1
 OR { 2389}
   (( segid "    " and resid 53   and name HD2 ))
   (  segid "    " and resid 11   and name HD2%)
 ASSI { 2390}
   (( segid "    " and resid 53   and name HD1 ))
   (( segid "    " and resid 53   and name HB2 ))
      3.200     1.300     1.300 peak  2390 spectrum    1 weight  0.10000E+01 volume  0.16975E-02 ppm1      2.879 ppm2      1.072 CV     1
 OR { 2390}
   (( segid "    " and resid 53   and name HD1 ))
   (( segid "    " and resid 14   and name HG12))
 ASSI { 2391}
   (( segid "    " and resid 53   and name HD2 ))
   (( segid "    " and resid 53   and name HB2 ))
      3.300     1.300     1.300 peak  2391 spectrum    1 weight  0.10000E+01 volume  0.16973E-02 ppm1      2.708 ppm2      1.078 CV     1
 OR { 2391}
   (( segid "    " and resid 53   and name HD2 ))
   (( segid "    " and resid 14   and name HG12))
 ASSI { 2397}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 54   and name HA  ))
      4.100     2.100     1.900 peak  2397 spectrum    1 weight  0.10000E+01 volume  0.28595E-03 ppm1      0.871 ppm2      4.844 CV     1
 OR { 2397}
   (( segid "    " and resid 58   and name HG12))
   (( segid "    " and resid 54   and name HA  ))
 ASSI { 2399}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 50   and name HA  ))
      2.300     0.600     0.600 peak  2399 spectrum    1 weight  0.10000E+01 volume  0.18958E-02 ppm1      0.677 ppm2      3.916 CV     1
 OR { 2399}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 53   and name HA  ))
 ASSI { 2401}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 50   and name HA  ))
      3.400     1.400     1.400 peak  2401 spectrum    1 weight  0.10000E+01 volume  0.26036E-02 ppm1      0.867 ppm2      3.912 CV     1
 OR { 2401}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 53   and name HA  ))
 OR { 2401}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 7    and name HA  ))
 OR { 2401}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 10   and name HA2 ))
 ASSI { 2402}
   (( segid "    " and resid 58   and name HG12))
   (( segid "    " and resid 59   and name HD2 ))
      4.600     2.700     1.400 peak  2402 spectrum    1 weight  0.10000E+01 volume  0.75483E-03 ppm1      0.858 ppm2      3.804 CV     1
 OR { 2402}
   (( segid "    " and resid 58   and name HG12))
   (( segid "    " and resid 59   and name HD1 ))
 OR { 2402}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 70   and name HA2 ))
 ASSI { 2403}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 53   and name HD1 ))
      2.600     0.900     0.900 peak  2403 spectrum    1 weight  0.10000E+01 volume  0.17780E-02 ppm1      0.866 ppm2      2.871 CV     1
 OR { 2403}
   (( segid "    " and resid 58   and name HG12))
   (( segid "    " and resid 51   and name HG1 ))
 ASSI { 2404}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 53   and name HD2 ))
      3.100     1.200     1.200 peak  2404 spectrum    1 weight  0.10000E+01 volume  0.17527E-02 ppm1      0.868 ppm2      2.708 CV     1
 OR { 2404}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 54   and name HB2 ))
 ASSI { 2406}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 53   and name HD2 ))
      2.500     0.800     0.800 peak  2406 spectrum    1 weight  0.10000E+01 volume  0.21126E-02 ppm1      0.679 ppm2      2.708 CV     1
 OR { 2406}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 54   and name HB2 ))
 ASSI { 2409}
   (( segid "    " and resid 58   and name HG12))
   (( segid "    " and resid 62   and name HB2 ))
      4.500     2.500     1.500 peak  2409 spectrum    1 weight  0.10000E+01 volume  0.55750E-03 ppm1      0.864 ppm2      2.432 CV     1
 OR { 2409}
   (( segid "    " and resid 58   and name HG12))
   (( segid "    " and resid 62   and name HB1 ))
 OR { 2409}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 51   and name HB1 ))
 OR { 2409}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 6    and name HG1 ))
 OR { 2409}
   (( segid "    " and resid 58   and name HG12))
   (( segid "    " and resid 59   and name HB1 ))
 OR { 2409}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 6    and name HG1 ))
 OR { 2409}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 51   and name HB1 ))
 ASSI { 2413}
   (( segid "    " and resid 54   and name HB2 ))
   (  segid "    " and resid 54   and name HE% )
      4.400     2.500     1.600 peak  2413 spectrum    1 weight  0.10000E+01 volume  0.72317E-03 ppm1      2.746 ppm2      7.141 CV     1
 OR { 2413}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 64   and name HN  ))
 ASSI { 2417}
   (( segid "    " and resid 54   and name HB2 ))
   (  segid "    " and resid 54   and name HD% )
      2.200     0.600     0.600 peak  2417 spectrum    1 weight  0.10000E+01 volume  0.56234E-02 ppm1      2.745 ppm2      7.470 CV     1
 OR { 2417}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 30   and name HN  ))
 ASSI { 2419}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 80   and name HE22))
      3.600     1.600     1.600 peak  2419 spectrum    1 weight  0.10000E+01 volume  0.33583E-03 ppm1      3.440 ppm2      7.729 CV     1
 OR { 2419}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 52   and name HN  ))
 ASSI { 2425}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 65   and name HA  ))
      3.000     1.100     1.100 peak  2425 spectrum    1 weight  0.10000E+01 volume  0.37224E-02 ppm1      2.743 ppm2      4.861 CV     1
 OR { 2425}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HA  ))
 ASSI { 2426}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 66   and name HA  ))
      4.900     3.000     1.100 peak  2426 spectrum    1 weight  0.10000E+01 volume  0.28780E-03 ppm1      2.737 ppm2      4.480 CV     1
 OR { 2426}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 55   and name HA  ))
 OR { 2426}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 67   and name HA  ))
 ASSI { 2427}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 76   and name HA  ))
      5.500     3.700     0.500 peak  2427 spectrum    1 weight  0.10000E+01 volume  0.23789E-03 ppm1      2.745 ppm2      3.549 CV     1
 OR { 2427}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 28   and name HA  ))
 OR { 2427}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 79   and name HB1 ))
 ASSI { 2429}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 53   and name HD1 ))
      5.300     3.500     0.700 peak  2429 spectrum    1 weight  0.10000E+01 volume  0.31613E-03 ppm1      3.443 ppm2      2.858 CV     1
 OR { 2429}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 51   and name HG1 ))
 ASSI { 2431}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 56   and name HB  ))
      4.100     2.100     1.900 peak  2431 spectrum    1 weight  0.10000E+01 volume  0.49095E-03 ppm1      2.747 ppm2      2.006 CV     1
 OR { 2431}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 76   and name HG11))
 OR { 2431}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 11   and name HG  ))
 ASSI { 2432}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 66   and name HG  ))
      3.700     1.700     1.700 peak  2432 spectrum    1 weight  0.10000E+01 volume  0.49044E-03 ppm1      2.739 ppm2      1.789 CV     1
 OR { 2432}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 76   and name HB  ))
 OR { 2432}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 64   and name HB2 ))
 ASSI { 2433}
   (( segid "    " and resid 54   and name HB2 ))
   (  segid "    " and resid 2    and name HB% )
      6.000     4.500     0.000 peak  2433 spectrum    1 weight  0.10000E+01 volume  0.23814E-03 ppm1      2.748 ppm2      1.576 CV     1
 OR { 2433}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 7    and name HG11))
 ASSI { 2437}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 76   and name HB  ))
      5.100     3.300     0.900 peak  2437 spectrum    1 weight  0.10000E+01 volume  0.29997E-03 ppm1      3.448 ppm2      1.769 CV     1
 OR { 2437}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 7    and name HB  ))
 ASSI { 2438}
   (( segid "    " and resid 54   and name HB1 ))
   (  segid "    " and resid 2    and name HB% )
      5.100     3.200     0.900 peak  2438 spectrum    1 weight  0.10000E+01 volume  0.44093E-03 ppm1      3.439 ppm2      1.529 CV     1
 OR { 2438}
   (( segid "    " and resid 54   and name HB1 ))
   (  segid "    " and resid 50   and name HB% )
 OR { 2438}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 58   and name HG11))
 OR { 2438}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 7    and name HG11))
 ASSI { 2444}
   (( segid "    " and resid 54   and name HB1 ))
   (  segid "    " and resid 56   and name HG1%)
      3.000     1.100     1.100 peak  2444 spectrum    1 weight  0.10000E+01 volume  0.21241E-02 ppm1      3.440 ppm2      0.939 CV     1
 OR { 2444}
   (( segid "    " and resid 54   and name HB1 ))
   (  segid "    " and resid 56   and name HG2%)
 OR { 2444}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 76   and name HG12))
 ASSI { 2445}
   (( segid "    " and resid 54   and name HB2 ))
   (  segid "    " and resid 56   and name HG1%)
      3.100     1.200     1.200 peak  2445 spectrum    1 weight  0.10000E+01 volume  0.23519E-02 ppm1      2.744 ppm2      0.937 CV     1
 OR { 2445}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 76   and name HG12))
 OR { 2445}
   (( segid "    " and resid 54   and name HB2 ))
   (  segid "    " and resid 56   and name HG2%)
 OR { 2445}
   (( segid "    " and resid 29   and name HB1 ))
   (  segid "    " and resid 28   and name HD2%)
 OR { 2445}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 66   and name HB2 ))
 ASSI { 2446}
   (( segid "    " and resid 54   and name HB1 ))
   (  segid "    " and resid 76   and name HG2%)
      2.400     0.700     0.700 peak  2446 spectrum    1 weight  0.10000E+01 volume  0.39189E-02 ppm1      3.440 ppm2      0.536 CV     1
 OR { 2446}
   (( segid "    " and resid 54   and name HB1 ))
   (  segid "    " and resid 58   and name HD1%)
 OR { 2446}
   (( segid "    " and resid 54   and name HB1 ))
   (  segid "    " and resid 7    and name HD1%)
 ASSI { 2447}
   (( segid "    " and resid 54   and name HB2 ))
   (  segid "    " and resid 76   and name HG2%)
      3.000     1.100     1.100 peak  2447 spectrum    1 weight  0.10000E+01 volume  0.25697E-02 ppm1      2.747 ppm2      0.535 CV     1
 OR { 2447}
   (( segid "    " and resid 54   and name HB2 ))
   (  segid "    " and resid 58   and name HD1%)
 OR { 2447}
   (( segid "    " and resid 54   and name HB2 ))
   (  segid "    " and resid 7    and name HD1%)
 ASSI { 2448}
   (( segid "    " and resid 54   and name HB2 ))
   (  segid "    " and resid 58   and name HD1%)
      3.100     1.200     1.200 peak  2448 spectrum    1 weight  0.10000E+01 volume  0.14638E-02 ppm1      2.742 ppm2      0.611 CV     1
 OR { 2448}
   (( segid "    " and resid 65   and name HB2 ))
   (  segid "    " and resid 66   and name HD2%)
 OR { 2448}
   (( segid "    " and resid 54   and name HB2 ))
   (  segid "    " and resid 76   and name HD1%)
 OR { 2448}
   (( segid "    " and resid 54   and name HB2 ))
   (  segid "    " and resid 7    and name HG2%)
 ASSI { 2449}
   (( segid "    " and resid 54   and name HB1 ))
   (  segid "    " and resid 58   and name HD1%)
      3.900     1.900     1.900 peak  2449 spectrum    1 weight  0.10000E+01 volume  0.90648E-03 ppm1      3.436 ppm2      0.611 CV     1
 OR { 2449}
   (( segid "    " and resid 54   and name HB1 ))
   (  segid "    " and resid 76   and name HD1%)
 OR { 2449}
   (( segid "    " and resid 54   and name HB1 ))
   (  segid "    " and resid 7    and name HG2%)
 ASSI { 2450}
   (( segid "    " and resid 54   and name HB1 ))
   (  segid "    " and resid 2    and name HB% )
      4.600     2.700     1.400 peak  2450 spectrum    1 weight  0.10000E+01 volume  0.41844E-03 ppm1      3.439 ppm2      1.577 CV     1
 OR { 2450}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 58   and name HG11))
 OR { 2450}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 7    and name HG11))
 ASSI { 2453}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
      2.800     1.000     1.000 peak  2453 spectrum    1 weight  0.10000E+01 volume  0.25827E-02 ppm1      4.678 ppm2      7.827 CV     1
 OR { 2453}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
 ASSI { 2458}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 28   and name HA  ))
      4.800     2.900     1.200 peak  2458 spectrum    1 weight  0.10000E+01 volume  0.36253E-03 ppm1      2.016 ppm2      3.582 CV     1
 OR { 2458}
   (( segid "    " and resid 56   and name HB  ))
   (( segid "    " and resid 79   and name HB1 ))
 OR { 2458}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 26   and name HA  ))
 ASSI { 2460}
   (( segid "    " and resid 56   and name HB  ))
   (( segid "    " and resid 54   and name HB2 ))
      3.900     1.900     1.900 peak  2460 spectrum    1 weight  0.10000E+01 volume  0.62515E-03 ppm1      2.009 ppm2      2.753 CV     1
 OR { 2460}
   (( segid "    " and resid 56   and name HB  ))
   (( segid "    " and resid 80   and name HG1 ))
 ASSI { 2461}
   (( segid "    " and resid 56   and name HB  ))
   (( segid "    " and resid 79   and name HB2 ))
      4.700     2.700     1.300 peak  2461 spectrum    1 weight  0.10000E+01 volume  0.31272E-03 ppm1      2.016 ppm2      2.523 CV     1
 OR { 2461}
   (( segid "    " and resid 56   and name HB  ))
   (( segid "    " and resid 55   and name HB2 ))
 OR { 2461}
   (( segid "    " and resid 56   and name HB  ))
   (( segid "    " and resid 51   and name HB1 ))
 ASSI { 2463}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 57   and name HB1 ))
      3.300     1.400     1.400 peak  2463 spectrum    1 weight  0.10000E+01 volume  0.14883E-02 ppm1      4.681 ppm2      1.692 CV     1
 OR { 2463}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 57   and name HB2 ))
 OR { 2463}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 57   and name HD2 ))
 OR { 2463}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 58   and name HB  ))
 ASSI { 2465}
   (( segid "    " and resid 27   and name HB1 ))
   (  segid "    " and resid 69   and name HG2%)
      5.000     3.100     1.000 peak  2465 spectrum    1 weight  0.10000E+01 volume  0.44963E-03 ppm1      2.017 ppm2      0.632 CV     1
 OR { 2465}
   (( segid "    " and resid 56   and name HB  ))
   (  segid "    " and resid 76   and name HD1%)
 OR { 2465}
   (( segid "    " and resid 27   and name HB1 ))
   (  segid "    " and resid 36   and name HD1%)
 ASSI { 2466}
   (( segid "    " and resid 56   and name HB  ))
   (  segid "    " and resid 76   and name HG2%)
      3.200     1.200     1.200 peak  2466 spectrum    1 weight  0.10000E+01 volume  0.13616E-02 ppm1      2.006 ppm2      0.553 CV     1
 OR { 2466}
   (( segid "    " and resid 56   and name HB  ))
   (  segid "    " and resid 58   and name HD1%)
 OR { 2466}
   (( segid "    " and resid 56   and name HB  ))
   (  segid "    " and resid 7    and name HD1%)
 ASSI { 2480}
   (  segid "    " and resid 26   and name HG2%)
   (  segid "    " and resid 36   and name HD1%)
      2.600     2.600     3.400 peak  2480 spectrum    1 weight  0.10000E+01 volume  0.30074E-02 ppm1      0.931 ppm2      0.572 CV     1
 OR { 2480}
   (  segid "    " and resid 56   and name HG1%)
   (  segid "    " and resid 76   and name HG2%)
 OR { 2480}
   (  segid "    " and resid 56   and name HG1%)
   (  segid "    " and resid 58   and name HD1%)
 OR { 2480}
   (  segid "    " and resid 56   and name HG1%)
   (  segid "    " and resid 76   and name HD1%)
 ASSI { 2481}
   (  segid "    " and resid 56   and name HG1%)
   (  segid "    " and resid 76   and name HG2%)
      2.600     0.900     0.900 peak  2481 spectrum    1 weight  0.10000E+01 volume  0.36737E-02 ppm1      0.933 ppm2      0.541 CV     1
 OR { 2481}
   (  segid "    " and resid 56   and name HG1%)
   (  segid "    " and resid 58   and name HD1%)
 OR { 2481}
   (  segid "    " and resid 56   and name HG1%)
   (  segid "    " and resid 7    and name HD1%)
 ASSI { 2482}
   (  segid "    " and resid 56   and name HG2%)
   (  segid "    " and resid 76   and name HG2%)
      3.100     1.200     1.200 peak  2482 spectrum    1 weight  0.10000E+01 volume  0.27254E-02 ppm1      0.976 ppm2      0.557 CV     1
 OR { 2482}
   (  segid "    " and resid 56   and name HG2%)
   (  segid "    " and resid 58   and name HD1%)
 OR { 2482}
   (  segid "    " and resid 56   and name HG2%)
   (  segid "    " and resid 7    and name HD1%)
 ASSI { 2483}
   (  segid "    " and resid 56   and name HG2%)
   (  segid "    " and resid 76   and name HG2%)
      2.900     1.100     1.100 peak  2483 spectrum    1 weight  0.10000E+01 volume  0.31290E-02 ppm1      0.977 ppm2      0.525 CV     1
 OR { 2483}
   (  segid "    " and resid 56   and name HG2%)
   (  segid "    " and resid 7    and name HD1%)
 ASSI { 2484}
   (  segid "    " and resid 56   and name HG2%)
   (  segid "    " and resid 58   and name HD1%)
      3.700     1.700     1.700 peak  2484 spectrum    1 weight  0.10000E+01 volume  0.19488E-02 ppm1      0.976 ppm2      0.618 CV     1
 OR { 2484}
   (  segid "    " and resid 56   and name HG2%)
   (  segid "    " and resid 76   and name HD1%)
 ASSI { 2485}
   (  segid "    " and resid 56   and name HG1%)
   (( segid "    " and resid 58   and name HG11))
      2.700     0.900     0.900 peak  2485 spectrum    1 weight  0.10000E+01 volume  0.28531E-02 ppm1      0.924 ppm2      1.510 CV     1
 OR { 2485}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 36   and name HG  ))
 OR { 2485}
   (  segid "    " and resid 56   and name HG1%)
   (  segid "    " and resid 50   and name HB% )
 OR { 2485}
   (  segid "    " and resid 26   and name HG2%)
   (  segid "    " and resid 19   and name HB% )
 ASSI { 2487}
   (  segid "    " and resid 56   and name HG1%)
   (( segid "    " and resid 56   and name HB  ))
      2.300     0.700     0.700 peak  2487 spectrum    1 weight  0.10000E+01 volume  0.69640E-02 ppm1      0.930 ppm2      2.006 CV     1
 OR { 2487}
   (  segid "    " and resid 56   and name HG1%)
   (( segid "    " and resid 76   and name HG11))
 ASSI { 2488}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 11   and name HB1 ))
      4.100     2.100     1.900 peak  2488 spectrum    1 weight  0.10000E+01 volume  0.89456E-03 ppm1      0.931 ppm2      2.123 CV     1
 OR { 2488}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 45   and name HB2 ))
 OR { 2488}
   (  segid "    " and resid 56   and name HG1%)
   (( segid "    " and resid 51   and name HB2 ))
 OR { 2488}
   (  segid "    " and resid 56   and name HG1%)
   (( segid "    " and resid 80   and name HB2 ))
 OR { 2488}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 14   and name HB  ))
 ASSI { 2490}
   (  segid "    " and resid 56   and name HG1%)
   (( segid "    " and resid 79   and name HB2 ))
      3.400     1.400     1.400 peak  2490 spectrum    1 weight  0.10000E+01 volume  0.13018E-02 ppm1      0.931 ppm2      2.527 CV     1
 OR { 2490}
   (  segid "    " and resid 56   and name HG1%)
   (( segid "    " and resid 55   and name HB2 ))
 ASSI { 2491}
   (  segid "    " and resid 56   and name HG1%)
   (( segid "    " and resid 79   and name HB2 ))
      3.600     1.600     1.600 peak  2491 spectrum    1 weight  0.10000E+01 volume  0.11129E-02 ppm1      0.936 ppm2      2.503 CV     1
 OR { 2491}
   (  segid "    " and resid 56   and name HG1%)
   (( segid "    " and resid 51   and name HB1 ))
 ASSI { 2492}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 79   and name HB2 ))
      3.300     1.300     1.300 peak  2492 spectrum    1 weight  0.10000E+01 volume  0.12894E-02 ppm1      0.977 ppm2      2.551 CV     1
 OR { 2492}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 80   and name HG2 ))
 ASSI { 2494}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 54   and name HB2 ))
      3.300     1.400     1.400 peak  2494 spectrum    1 weight  0.10000E+01 volume  0.25117E-02 ppm1      0.968 ppm2      2.732 CV     1
 OR { 2494}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 80   and name HG1 ))
 OR { 2494}
   (  segid "    " and resid 23   and name HG1%)
   (( segid "    " and resid 16   and name HB2 ))
 OR { 2494}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 25   and name HB1 ))
 ASSI { 2496}
   (  segid "    " and resid 56   and name HG1%)
   (( segid "    " and resid 54   and name HB2 ))
      3.200     1.300     1.300 peak  2496 spectrum    1 weight  0.10000E+01 volume  0.16429E-02 ppm1      0.930 ppm2      2.732 CV     1
 OR { 2496}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 25   and name HB1 ))
 ASSI { 2497}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 55   and name HB1 ))
      4.900     3.000     1.100 peak  2497 spectrum    1 weight  0.10000E+01 volume  0.38173E-03 ppm1      0.971 ppm2      3.249 CV     1
 OR { 2497}
   (  segid "    " and resid 48   and name HG1%)
   (( segid "    " and resid 47   and name HA  ))
 ASSI { 2499}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 44   and name HA  ))
      3.200     1.300     1.300 peak  2499 spectrum    1 weight  0.10000E+01 volume  0.10645E-02 ppm1      0.930 ppm2      3.569 CV     1
 OR { 2499}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 26   and name HA  ))
 OR { 2499}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 23   and name HA  ))
 OR { 2499}
   (  segid "    " and resid 56   and name HG1%)
   (( segid "    " and resid 79   and name HB1 ))
 OR { 2499}
   (  segid "    " and resid 8    and name HG1%)
   (( segid "    " and resid 26   and name HA  ))
 ASSI { 2500}
   (  segid "    " and resid 56   and name HG1%)
   (( segid "    " and resid 76   and name HA  ))
      2.700     0.900     0.900 peak  2500 spectrum    1 weight  0.10000E+01 volume  0.21016E-02 ppm1      0.930 ppm2      3.510 CV     1
 OR { 2500}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 26   and name HA  ))
 ASSI { 2501}
   (  segid "    " and resid 56   and name HG1%)
   (( segid "    " and resid 76   and name HA  ))
      2.800     1.000     1.000 peak  2501 spectrum    1 weight  0.10000E+01 volume  0.21902E-02 ppm1      0.931 ppm2      3.475 CV     1
 OR { 2501}
   (  segid "    " and resid 56   and name HG1%)
   (( segid "    " and resid 54   and name HB1 ))
 ASSI { 2505}
   (  segid "    " and resid 56   and name HG1%)
   (( segid "    " and resid 58   and name HA  ))
      4.700     2.800     1.300 peak  2505 spectrum    1 weight  0.10000E+01 volume  0.38849E-03 ppm1      0.930 ppm2      4.509 CV     1
 OR { 2505}
   (  segid "    " and resid 56   and name HG1%)
   (( segid "    " and resid 55   and name HA  ))
 ASSI { 2509}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 56   and name HA  ))
      3.000     1.200     1.200 peak  2509 spectrum    1 weight  0.10000E+01 volume  0.21713E-02 ppm1      0.980 ppm2      4.678 CV     1
 OR { 2509}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 39   and name HA  ))
 OR { 2509}
   (  segid "    " and resid 38   and name HG1%)
   (( segid "    " and resid 39   and name HA  ))
 ASSI { 2510}
   (  segid "    " and resid 56   and name HG1%)
   (( segid "    " and resid 54   and name HA  ))
      5.200     3.400     0.800 peak  2510 spectrum    1 weight  0.10000E+01 volume  0.33566E-03 ppm1      0.926 ppm2      4.867 CV     1
 OR { 2510}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 31   and name HA  ))
 ASSI { 2520}
   (  segid "    " and resid 8    and name HG1%)
   (( segid "    " and resid 9    and name HN  ))
      4.200     2.200     1.800 peak  2520 spectrum    1 weight  0.10000E+01 volume  0.61482E-03 ppm1      0.929 ppm2      7.722 CV     1
 OR { 2520}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 25   and name HN  ))
 OR { 2520}
   (  segid "    " and resid 56   and name HG1%)
   (( segid "    " and resid 80   and name HE22))
 OR { 2520}
   (  segid "    " and resid 56   and name HG1%)
   (( segid "    " and resid 79   and name HN  ))
 ASSI { 2521}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 25   and name HN  ))
      4.400     2.400     1.600 peak  2521 spectrum    1 weight  0.10000E+01 volume  0.56513E-03 ppm1      0.931 ppm2      7.699 CV     1
 OR { 2521}
   (  segid "    " and resid 56   and name HG1%)
   (( segid "    " and resid 80   and name HE21))
 OR { 2521}
   (  segid "    " and resid 56   and name HG1%)
   (( segid "    " and resid 80   and name HE22))
 OR { 2521}
   (  segid "    " and resid 56   and name HG1%)
   (( segid "    " and resid 79   and name HN  ))
 ASSI { 2523}
   (  segid "    " and resid 56   and name HG2%)
   (  segid "    " and resid 54   and name HD% )
      4.200     2.300     1.800 peak  2523 spectrum    1 weight  0.10000E+01 volume  0.54343E-03 ppm1      0.975 ppm2      7.466 CV     1
 OR { 2523}
   (  segid "    " and resid 23   and name HG1%)
   (( segid "    " and resid 26   and name HN  ))
 ASSI { 2525}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 79   and name HN  ))
      3.900     1.900     1.900 peak  2525 spectrum    1 weight  0.10000E+01 volume  0.11179E-02 ppm1      0.977 ppm2      7.729 CV     1
 OR { 2525}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 80   and name HE22))
 OR { 2525}
   (  segid "    " and resid 48   and name HG1%)
   (( segid "    " and resid 52   and name HN  ))
 OR { 2525}
   (  segid "    " and resid 23   and name HG1%)
   (( segid "    " and resid 25   and name HN  ))
 ASSI { 2526}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 80   and name HE21))
      3.900     1.900     1.900 peak  2526 spectrum    1 weight  0.10000E+01 volume  0.74542E-03 ppm1      0.976 ppm2      7.676 CV     1
 OR { 2526}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 79   and name HN  ))
 ASSI { 2533}
   (  segid "    " and resid 56   and name HG1%)
   (( segid "    " and resid 76   and name HN  ))
      4.900     3.000     1.100 peak  2533 spectrum    1 weight  0.10000E+01 volume  0.37685E-03 ppm1      0.926 ppm2      8.516 CV     1
 OR { 2533}
   (  segid "    " and resid 56   and name HG1%)
   (( segid "    " and resid 77   and name HN  ))
 ASSI { 2536}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 15   and name HN  ))
      5.000     3.100     1.000 peak  2536 spectrum    1 weight  0.10000E+01 volume  0.31929E-03 ppm1      0.932 ppm2      8.838 CV     1
 OR { 2536}
   (  segid "    " and resid 56   and name HG1%)
   (( segid "    " and resid 51   and name HN  ))
 OR { 2536}
   (  segid "    " and resid 56   and name HG1%)
   (( segid "    " and resid 2    and name HN  ))
 ASSI { 2545}
   (( segid "    " and resid 57   and name HB1 ))
   (( segid "    " and resid 59   and name HG1 ))
      4.500     2.500     1.500 peak  2545 spectrum    1 weight  0.10000E+01 volume  0.83654E-03 ppm1      1.689 ppm2      1.967 CV     1
 OR { 2545}
   (( segid "    " and resid 57   and name HB1 ))
   (( segid "    " and resid 59   and name HG2 ))
 OR { 2545}
   (( segid "    " and resid 57   and name HB1 ))
   (( segid "    " and resid 56   and name HB  ))
 OR { 2545}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 56   and name HB  ))
 OR { 2545}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 59   and name HG1 ))
 OR { 2545}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 59   and name HG2 ))
 OR { 2545}
   (( segid "    " and resid 57   and name HB1 ))
   (( segid "    " and resid 59   and name HB2 ))
 ASSI { 2549}
   (( segid "    " and resid 57   and name HB1 ))
   (  segid "    " and resid 56   and name HG1%)
      5.000     3.200     1.000 peak  2549 spectrum    1 weight  0.10000E+01 volume  0.17546E-03 ppm1      1.687 ppm2      0.945 CV     1
 OR { 2549}
   (( segid "    " and resid 57   and name HB2 ))
   (  segid "    " and resid 56   and name HG1%)
 OR { 2549}
   (( segid "    " and resid 57   and name HB1 ))
   (  segid "    " and resid 56   and name HG2%)
 OR { 2549}
   (( segid "    " and resid 57   and name HB2 ))
   (  segid "    " and resid 56   and name HG2%)
 OR { 2549}
   (( segid "    " and resid 57   and name HB1 ))
   (( segid "    " and resid 76   and name HG12))
 OR { 2549}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 76   and name HG12))
 ASSI { 2556}
   (( segid "    " and resid 57   and name HD2 ))
   (  segid "    " and resid 56   and name HG1%)
      4.600     2.700     1.400 peak  2556 spectrum    1 weight  0.10000E+01 volume  0.44144E-03 ppm1      1.659 ppm2      0.958 CV     1
 OR { 2556}
   (( segid "    " and resid 57   and name HD2 ))
   (  segid "    " and resid 56   and name HG2%)
 OR { 2556}
   (( segid "    " and resid 57   and name HD1 ))
   (  segid "    " and resid 56   and name HG1%)
 OR { 2556}
   (( segid "    " and resid 57   and name HD1 ))
   (  segid "    " and resid 56   and name HG2%)
 OR { 2556}
   (( segid "    " and resid 57   and name HD2 ))
   (( segid "    " and resid 76   and name HG12))
 OR { 2556}
   (( segid "    " and resid 57   and name HD1 ))
   (( segid "    " and resid 76   and name HG12))
 ASSI { 2564}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HG11))
      3.000     1.100     1.100 peak  2564 spectrum    1 weight  0.10000E+01 volume  0.12972E-02 ppm1      4.522 ppm2      1.508 CV     1
 OR { 2564}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HG2 ))
 ASSI { 2565}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HG12))
      3.100     1.200     1.200 peak  2565 spectrum    1 weight  0.10000E+01 volume  0.30771E-02 ppm1      4.530 ppm2      0.854 CV     1
 OR { 2565}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 47   and name HG1%)
 OR { 2565}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 40   and name H4A ))
 OR { 2565}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 40   and name H4B ))
 OR { 2565}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 63   and name HG1%)
 ASSI { 2566}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HB  ))
      3.100     1.200     1.200 peak  2566 spectrum    1 weight  0.10000E+01 volume  0.14787E-02 ppm1      4.518 ppm2      1.672 CV     1
 OR { 2566}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 57   and name HB1 ))
 OR { 2566}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 57   and name HB2 ))
 ASSI { 2569}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 62   and name HB1 ))
      3.900     1.900     1.900 peak  2569 spectrum    1 weight  0.10000E+01 volume  0.76396E-03 ppm1      4.520 ppm2      2.403 CV     1
 OR { 2569}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 62   and name HB2 ))
 OR { 2569}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 59   and name HB1 ))
 ASSI { 2577}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 60   and name HA  ))
      6.000     5.700     0.000 peak  2577 spectrum    1 weight  0.10000E+01 volume  0.54434E-04 ppm1      1.687 ppm2      4.208 CV     1
 OR { 2577}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 51   and name HA  ))
 OR { 2577}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 75   and name HA  ))
 ASSI { 2587}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 51   and name HG2 ))
      5.700     4.100     0.300 peak  2587 spectrum    1 weight  0.10000E+01 volume  0.88862E-04 ppm1      1.681 ppm2      2.335 CV     1
 OR { 2587}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 59   and name HB1 ))
 ASSI { 2589}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 51   and name HG2 ))
      5.000     3.100     1.000 peak  2589 spectrum    1 weight  0.10000E+01 volume  0.21089E-03 ppm1      1.689 ppm2      2.267 CV     1
 OR { 2589}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 47   and name HB  ))
 OR { 2589}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 40   and name H2A ))
 OR { 2589}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 40   and name H2B ))
 ASSI { 2590}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 63   and name HB  ))
      4.800     2.800     1.200 peak  2590 spectrum    1 weight  0.10000E+01 volume  0.32829E-03 ppm1      1.683 ppm2      2.032 CV     1
 OR { 2590}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 76   and name HG11))
 OR { 2590}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 59   and name HG1 ))
 OR { 2590}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 56   and name HB  ))
 ASSI { 2592}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 57   and name HG1 ))
      4.000     2.000     2.000 peak  2592 spectrum    1 weight  0.10000E+01 volume  0.97696E-03 ppm1      1.683 ppm2      1.401 CV     1
 OR { 2592}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 64   and name HG1 ))
 OR { 2592}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 64   and name HG2 ))
 ASSI { 2595}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 58   and name HG12))
      2.400     0.700     0.700 peak  2595 spectrum    1 weight  0.10000E+01 volume  0.58582E-02 ppm1      1.687 ppm2      0.875 CV     1
 OR { 2595}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 47   and name HG2%)
 OR { 2595}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 63   and name HG2%)
 OR { 2595}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 47   and name HG1%)
 OR { 2595}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 76   and name HG12))
 ASSI { 2596}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 58   and name HD1%)
      2.500     0.800     0.800 peak  2596 spectrum    1 weight  0.10000E+01 volume  0.42357E-02 ppm1      1.685 ppm2      0.572 CV     1
 OR { 2596}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 76   and name HD1%)
 ASSI { 2599}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 58   and name HD1%)
      3.800     1.800     1.800 peak  2599 spectrum    1 weight  0.10000E+01 volume  0.15174E-02 ppm1      4.521 ppm2      0.569 CV     1
 OR { 2599}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 76   and name HD1%)
 OR { 2599}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 66   and name HD2%)
 OR { 2599}
   (( segid "    " and resid 67   and name HA  ))
   (  segid "    " and resid 66   and name HD2%)
 ASSI { 2602}
   (( segid "    " and resid 58   and name HG11))
   (( segid "    " and resid 51   and name HA  ))
      4.600     2.600     1.400 peak  2602 spectrum    1 weight  0.10000E+01 volume  0.54288E-03 ppm1      1.530 ppm2      4.217 CV     1
 OR { 2602}
   (( segid "    " and resid 58   and name HG11))
   (( segid "    " and resid 75   and name HA  ))
 OR { 2602}
   (( segid "    " and resid 58   and name HG11))
   (( segid "    " and resid 60   and name HA  ))
 ASSI { 2617}
   (( segid "    " and resid 58   and name HG11))
   (( segid "    " and resid 76   and name HG11))
      4.500     2.600     1.500 peak  2617 spectrum    1 weight  0.10000E+01 volume  0.45174E-03 ppm1      1.535 ppm2      1.988 CV     1
 OR { 2617}
   (( segid "    " and resid 58   and name HG11))
   (( segid "    " and resid 56   and name HB  ))
 ASSI { 2620}
   (( segid "    " and resid 58   and name HG11))
   (  segid "    " and resid 58   and name HD1%)
      2.300     0.600     0.600 peak  2620 spectrum    1 weight  0.10000E+01 volume  0.67873E-02 ppm1      1.537 ppm2      0.573 CV     1
 OR { 2620}
   (( segid "    " and resid 58   and name HG11))
   (  segid "    " and resid 76   and name HD1%)
 OR { 2620}
   (( segid "    " and resid 58   and name HG11))
   (  segid "    " and resid 76   and name HG2%)
 ASSI { 2622}
   (( segid "    " and resid 58   and name HG12))
   (( segid "    " and resid 58   and name HG11))
      1.600     0.300     0.600 peak  2622 spectrum    1 weight  0.10000E+01 volume  0.13687E-01 ppm1      0.857 ppm2      1.535 CV     1
 OR { 2622}
   (( segid "    " and resid 53   and name HG1 ))
   (  segid "    " and resid 50   and name HB% )
 OR { 2622}
   (  segid "    " and resid 11   and name HD1%)
   (  segid "    " and resid 50   and name HB% )
 ASSI { 2623}
   (  segid "    " and resid 58   and name HG2%)
   (  segid "    " and resid 58   and name HD1%)
      3.100     1.200     1.200 peak  2623 spectrum    1 weight  0.10000E+01 volume  0.49876E-02 ppm1      0.340 ppm2      0.594 CV     1
 OR { 2623}
   (  segid "    " and resid 58   and name HG2%)
   (  segid "    " and resid 76   and name HD1%)
 OR { 2623}
   (  segid "    " and resid 58   and name HG2%)
   (  segid "    " and resid 40   and name H6% )
 OR { 2623}
   (  segid "    " and resid 58   and name HG2%)
   (  segid "    " and resid 66   and name HD2%)
 ASSI { 2624}
   (  segid "    " and resid 58   and name HG2%)
   (  segid "    " and resid 58   and name HD1%)
      3.100     1.200     1.200 peak  2624 spectrum    1 weight  0.10000E+01 volume  0.59875E-02 ppm1      0.340 ppm2      0.553 CV     1
 OR { 2624}
   (  segid "    " and resid 58   and name HG2%)
   (  segid "    " and resid 66   and name HD2%)
 ASSI { 2625}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 58   and name HG12))
      2.100     0.600     0.600 peak  2625 spectrum    1 weight  0.10000E+01 volume  0.90926E-02 ppm1      0.340 ppm2      0.889 CV     1
 OR { 2625}
   (  segid "    " and resid 58   and name HG2%)
   (  segid "    " and resid 63   and name HG2%)
 OR { 2625}
   (  segid "    " and resid 58   and name HG2%)
   (  segid "    " and resid 47   and name HG2%)
 OR { 2625}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 76   and name HG12))
 OR { 2625}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 40   and name H4A ))
 OR { 2625}
   (  segid "    " and resid 58   and name HG2%)
   (  segid "    " and resid 56   and name HG1%)
 ASSI { 2627}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 63   and name HB  ))
      3.300     1.400     1.400 peak  2627 spectrum    1 weight  0.10000E+01 volume  0.13227E-02 ppm1      0.340 ppm2      2.013 CV     1
 OR { 2627}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 76   and name HG11))
 OR { 2627}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 59   and name HG1 ))
 ASSI { 2630}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 66   and name HG  ))
      4.800     2.900     1.200 peak  2630 spectrum    1 weight  0.10000E+01 volume  0.33153E-03 ppm1      0.341 ppm2      1.790 CV     1
 OR { 2630}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 76   and name HB  ))
 ASSI { 2635}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 75   and name HB1 ))
      5.700     4.100     0.300 peak  2635 spectrum    1 weight  0.10000E+01 volume  0.12386E-03 ppm1      0.344 ppm2      3.099 CV     1
 OR { 2635}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 75   and name HB2 ))
 OR { 2635}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 71   and name HB1 ))
 ASSI { 2636}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 51   and name HG1 ))
      5.700     4.000     0.300 peak  2636 spectrum    1 weight  0.10000E+01 volume  0.24323E-03 ppm1      0.342 ppm2      2.822 CV     1
 OR { 2636}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 40   and name H43B))
 ASSI { 2637}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 60   and name HB1 ))
      6.000     5.300     0.000 peak  2637 spectrum    1 weight  0.10000E+01 volume  0.79361E-04 ppm1      0.343 ppm2      2.631 CV     1
 OR { 2637}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 60   and name HB2 ))
 OR { 2637}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 61   and name HB1 ))
 ASSI { 2639}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 51   and name HG2 ))
      5.100     3.300     0.900 peak  2639 spectrum    1 weight  0.10000E+01 volume  0.43170E-03 ppm1      0.342 ppm2      2.276 CV     1
 OR { 2639}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 40   and name H2B ))
 OR { 2639}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 40   and name H2A ))
 OR { 2639}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 43   and name HG1 ))
 ASSI { 2642}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 62   and name HA  ))
      5.100     3.200     0.900 peak  2642 spectrum    1 weight  0.10000E+01 volume  0.20303E-03 ppm1      0.342 ppm2      4.652 CV     1
 OR { 2642}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 56   and name HA  ))
 ASSI { 2644}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 59   and name HA  ))
      5.100     3.200     0.900 peak  2644 spectrum    1 weight  0.10000E+01 volume  0.15109E-03 ppm1      0.341 ppm2      4.402 CV     1
 OR { 2644}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 80   and name HA  ))
 ASSI { 2645}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 60   and name HA  ))
      5.400     3.700     0.600 peak  2645 spectrum    1 weight  0.10000E+01 volume  0.24920E-03 ppm1      0.338 ppm2      4.195 CV     1
 OR { 2645}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 75   and name HA  ))
 OR { 2645}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 51   and name HA  ))
 ASSI { 2647}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 64   and name HA  ))
      5.900     4.300     0.100 peak  2647 spectrum    1 weight  0.10000E+01 volume  0.62844E-04 ppm1      0.338 ppm2      3.946 CV     1
 OR { 2647}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 74   and name HA  ))
 ASSI { 2649}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 66   and name HN  ))
      6.000     4.900     0.000 peak  2649 spectrum    1 weight  0.10000E+01 volume  0.12674E-03 ppm1      0.338 ppm2      7.696 CV     1
 OR { 2649}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 65   and name HD22))
 OR { 2649}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 79   and name HN  ))
 OR { 2649}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 80   and name HE21))
 ASSI { 2651}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 64   and name HN  ))
      5.400     3.700     0.600 peak  2651 spectrum    1 weight  0.10000E+01 volume  0.13246E-03 ppm1      0.341 ppm2      7.168 CV     1
 OR { 2651}
   (  segid "    " and resid 58   and name HG2%)
   (  segid "    " and resid 54   and name HE% )
 ASSI { 2660}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 63   and name HA  ))
      4.500     2.600     1.500 peak  2660 spectrum    1 weight  0.10000E+01 volume  0.79690E-03 ppm1      0.573 ppm2      3.210 CV     1
 OR { 2660}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 55   and name HB1 ))
 ASSI { 2664}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 51   and name HB2 ))
      3.900     1.900     1.900 peak  2664 spectrum    1 weight  0.10000E+01 volume  0.33430E-03 ppm1      0.579 ppm2      2.136 CV     1
 OR { 2664}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 66   and name HB1 ))
 OR { 2664}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 80   and name HB2 ))
 ASSI { 2665}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 76   and name HG11))
      4.100     2.100     1.900 peak  2665 spectrum    1 weight  0.10000E+01 volume  0.75442E-03 ppm1      0.569 ppm2      2.022 CV     1
 OR { 2665}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 56   and name HB  ))
 ASSI { 2666}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 59   and name HG2 ))
      3.900     1.900     1.900 peak  2666 spectrum    1 weight  0.10000E+01 volume  0.28667E-03 ppm1      0.582 ppm2      1.934 CV     1
 OR { 2666}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 59   and name HB2 ))
 OR { 2666}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 74   and name HB2 ))
 OR { 2666}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 74   and name HB1 ))
 ASSI { 2670}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 58   and name HG11))
      2.100     0.600     0.600 peak  2670 spectrum    1 weight  0.10000E+01 volume  0.80014E-02 ppm1      0.573 ppm2      1.525 CV     1
 OR { 2670}
   (  segid "    " and resid 58   and name HD1%)
   (  segid "    " and resid 50   and name HB% )
 ASSI { 2671}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 58   and name HG12))
      1.900     0.500     0.500 peak  2671 spectrum    1 weight  0.10000E+01 volume  0.13821E-01 ppm1      0.573 ppm2      0.850 CV     1
 OR { 2671}
   (  segid "    " and resid 58   and name HD1%)
   (  segid "    " and resid 11   and name HD2%)
 ASSI { 2680}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 61   and name HN  ))
      3.200     1.300     1.300 peak  2680 spectrum    1 weight  0.10000E+01 volume  0.97874E-03 ppm1      1.934 ppm2      8.646 CV     1
 OR { 2680}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 60   and name HN  ))
 ASSI { 2681}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 61   and name HN  ))
      3.700     1.700     1.700 peak  2681 spectrum    1 weight  0.10000E+01 volume  0.97043E-03 ppm1      2.388 ppm2      8.632 CV     1
 OR { 2681}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 60   and name HN  ))
 ASSI { 2683}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 60   and name HN  ))
      2.300     0.600     0.600 peak  2683 spectrum    1 weight  0.10000E+01 volume  0.60514E-02 ppm1      4.403 ppm2      8.624 CV     1
 OR { 2683}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 61   and name HN  ))
 ASSI { 2687}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      5.700     4.100     0.300 peak  2687 spectrum    1 weight  0.10000E+01 volume  0.12486E-03 ppm1      4.405 ppm2      7.548 CV     1
 OR { 2687}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 63   and name HN  ))
 ASSI { 2697}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 60   and name HB1 ))
      4.600     2.600     1.400 peak  2697 spectrum    1 weight  0.10000E+01 volume  0.10596E-02 ppm1      4.400 ppm2      2.607 CV     1
 OR { 2697}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 60   and name HB2 ))
 OR { 2697}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 61   and name HB1 ))
 ASSI { 2702}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 58   and name HB  ))
      4.400     2.400     1.600 peak  2702 spectrum    1 weight  0.10000E+01 volume  0.40889E-03 ppm1      4.403 ppm2      1.675 CV     1
 OR { 2702}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 57   and name HD1 ))
 OR { 2702}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 57   and name HD2 ))
 OR { 2702}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 57   and name HB1 ))
 OR { 2702}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 57   and name HB2 ))
 ASSI { 2703}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 61   and name HB1 ))
      4.700     2.700     1.300 peak  2703 spectrum    1 weight  0.10000E+01 volume  0.43415E-03 ppm1      1.937 ppm2      2.649 CV     1
 OR { 2703}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 60   and name HB1 ))
 OR { 2703}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 60   and name HB2 ))
 ASSI { 2706}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 61   and name HB1 ))
      6.000     4.700     0.000 peak  2706 spectrum    1 weight  0.10000E+01 volume  0.15910E-03 ppm1      2.382 ppm2      2.653 CV     1
 OR { 2706}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 60   and name HB1 ))
 OR { 2706}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 60   and name HB2 ))
 ASSI { 2714}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 62   and name HB1 ))
      3.000     1.100     1.100 peak  2714 spectrum    1 weight  0.10000E+01 volume  0.32401E-02 ppm1      3.806 ppm2      2.405 CV     1
 OR { 2714}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 62   and name HB2 ))
 OR { 2714}
   (( segid "    " and resid 59   and name HD1 ))
   (( segid "    " and resid 59   and name HB1 ))
 OR { 2714}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 59   and name HB1 ))
 OR { 2714}
   (( segid "    " and resid 59   and name HD1 ))
   (( segid "    " and resid 62   and name HB2 ))
 ASSI { 2717}
   (( segid "    " and resid 59   and name HD1 ))
   (( segid "    " and resid 57   and name HB1 ))
      3.700     1.700     1.700 peak  2717 spectrum    1 weight  0.10000E+01 volume  0.12252E-02 ppm1      3.808 ppm2      1.687 CV     1
 OR { 2717}
   (( segid "    " and resid 59   and name HD1 ))
   (( segid "    " and resid 57   and name HD1 ))
 OR { 2717}
   (( segid "    " and resid 59   and name HD1 ))
   (( segid "    " and resid 57   and name HD2 ))
 OR { 2717}
   (( segid "    " and resid 59   and name HD1 ))
   (( segid "    " and resid 57   and name HB2 ))
 OR { 2717}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 57   and name HB1 ))
 OR { 2717}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 58   and name HB  ))
 OR { 2717}
   (( segid "    " and resid 59   and name HD1 ))
   (( segid "    " and resid 58   and name HB  ))
 ASSI { 2721}
   (( segid "    " and resid 59   and name HD1 ))
   (  segid "    " and resid 47   and name HG1%)
      4.100     2.100     1.900 peak  2721 spectrum    1 weight  0.10000E+01 volume  0.80416E-03 ppm1      3.808 ppm2      0.868 CV     1
 OR { 2721}
   (( segid "    " and resid 59   and name HD2 ))
   (  segid "    " and resid 47   and name HG1%)
 OR { 2721}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 58   and name HG12))
 OR { 2721}
   (( segid "    " and resid 59   and name HD1 ))
   (  segid "    " and resid 47   and name HG2%)
 OR { 2721}
   (( segid "    " and resid 59   and name HD2 ))
   (  segid "    " and resid 47   and name HG2%)
 OR { 2721}
   (( segid "    " and resid 59   and name HD1 ))
   (( segid "    " and resid 58   and name HG12))
 OR { 2721}
   (( segid "    " and resid 59   and name HD2 ))
   (  segid "    " and resid 63   and name HG2%)
 OR { 2721}
   (( segid "    " and resid 59   and name HD1 ))
   (  segid "    " and resid 63   and name HG2%)
 OR { 2721}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 76   and name HG12))
 ASSI { 2741}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 62   and name HN  ))
      4.200     2.200     1.800 peak  2741 spectrum    1 weight  0.10000E+01 volume  0.66292E-03 ppm1      1.927 ppm2      7.527 CV     1
 OR { 2741}
   (( segid "    " and resid 22   and name HG2 ))
   (( segid "    " and resid 26   and name HN  ))
 ASSI { 2742}
   (( segid "    " and resid 59   and name HG1 ))
   (( segid "    " and resid 62   and name HN  ))
      5.700     4.100     0.300 peak  2742 spectrum    1 weight  0.10000E+01 volume  0.27471E-03 ppm1      1.991 ppm2      7.511 CV     1
 OR { 2742}
   (( segid "    " and resid 22   and name HG2 ))
   (( segid "    " and resid 26   and name HN  ))
 ASSI { 2743}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 61   and name HN  ))
      5.500     3.700     0.500 peak  2743 spectrum    1 weight  0.10000E+01 volume  0.31247E-03 ppm1      1.925 ppm2      8.646 CV     1
 OR { 2743}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 60   and name HN  ))
 ASSI { 2746}
   (( segid "    " and resid 22   and name HG2 ))
   (( segid "    " and resid 22   and name HB1 ))
      2.600     0.800     0.800 peak  2746 spectrum    1 weight  0.10000E+01 volume  0.57947E-02 ppm1      1.924 ppm2      2.388 CV     1
 OR { 2746}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 59   and name HB1 ))
 OR { 2746}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 62   and name HB2 ))
 ASSI { 2747}
   (( segid "    " and resid 59   and name HG1 ))
   (( segid "    " and resid 59   and name HB1 ))
      2.400     0.700     0.700 peak  2747 spectrum    1 weight  0.10000E+01 volume  0.56494E-02 ppm1      1.994 ppm2      2.386 CV     1
 OR { 2747}
   (( segid "    " and resid 22   and name HG2 ))
   (( segid "    " and resid 22   and name HB1 ))
 OR { 2747}
   (( segid "    " and resid 59   and name HG1 ))
   (( segid "    " and resid 62   and name HB2 ))
 ASSI { 2765}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 63   and name HA  ))
      5.200     3.400     0.800 peak  2765 spectrum    1 weight  0.10000E+01 volume  0.30128E-03 ppm1      4.199 ppm2      3.200 CV     1
 OR { 2765}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 40   and name H42A))
 OR { 2765}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 40   and name H42B))
 ASSI { 2774}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 62   and name HN  ))
      4.100     2.100     1.900 peak  2774 spectrum    1 weight  0.10000E+01 volume  0.88761E-03 ppm1      2.647 ppm2      7.535 CV     1
 OR { 2774}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 63   and name HN  ))
 OR { 2774}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 63   and name HN  ))
 OR { 2774}
   (( segid "    " and resid 60   and name HB1 ))
   (( segid "    " and resid 63   and name HN  ))
 OR { 2774}
   (( segid "    " and resid 60   and name HB1 ))
   (( segid "    " and resid 62   and name HN  ))
 ASSI { 2781}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 59   and name HB2 ))
      4.700     2.700     1.300 peak  2781 spectrum    1 weight  0.10000E+01 volume  0.48053E-03 ppm1      2.642 ppm2      1.932 CV     1
 OR { 2781}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 43   and name HB2 ))
 OR { 2781}
   (( segid "    " and resid 60   and name HB1 ))
   (( segid "    " and resid 43   and name HB2 ))
 OR { 2781}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 59   and name HG2 ))
 OR { 2781}
   (( segid "    " and resid 60   and name HB1 ))
   (( segid "    " and resid 59   and name HB2 ))
 OR { 2781}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 59   and name HB2 ))
 ASSI { 2783}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 63   and name HB  ))
      4.900     3.000     1.100 peak  2783 spectrum    1 weight  0.10000E+01 volume  0.34913E-03 ppm1      4.325 ppm2      2.024 CV     1
 OR { 2783}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 59   and name HG1 ))
 ASSI { 2799}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 61   and name HN  ))
      5.700     4.100     0.300 peak  2799 spectrum    1 weight  0.10000E+01 volume  0.20198E-03 ppm1      4.676 ppm2      8.650 CV     1
 OR { 2799}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 60   and name HN  ))
 ASSI { 2802}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 63   and name HA  ))
      4.000     2.000     2.000 peak  2802 spectrum    1 weight  0.10000E+01 volume  0.53206E-03 ppm1      2.418 ppm2      3.199 CV     1
 OR { 2802}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 63   and name HA  ))
 OR { 2802}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 32   and name HB2 ))
 OR { 2802}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 32   and name HB1 ))
 ASSI { 2805}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 58   and name HG11))
      6.000     4.500     0.000 peak  2805 spectrum    1 weight  0.10000E+01 volume  0.89606E-04 ppm1      2.423 ppm2      1.533 CV     1
 OR { 2805}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 58   and name HG11))
 OR { 2805}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 30   and name HD1 ))
 ASSI { 2809}
   (( segid "    " and resid 62   and name HB2 ))
   (  segid "    " and resid 66   and name HD2%)
      4.100     2.100     1.900 peak  2809 spectrum    1 weight  0.10000E+01 volume  0.89803E-03 ppm1      2.421 ppm2      0.576 CV     1
 OR { 2809}
   (( segid "    " and resid 62   and name HB1 ))
   (  segid "    " and resid 66   and name HD2%)
 OR { 2809}
   (( segid "    " and resid 62   and name HB2 ))
   (  segid "    " and resid 58   and name HD1%)
 OR { 2809}
   (( segid "    " and resid 62   and name HB1 ))
   (  segid "    " and resid 58   and name HD1%)
 OR { 2809}
   (( segid "    " and resid 34   and name HB2 ))
   (  segid "    " and resid 36   and name HD1%)
 OR { 2809}
   (( segid "    " and resid 62   and name HB2 ))
   (  segid "    " and resid 76   and name HD1%)
 OR { 2809}
   (( segid "    " and resid 62   and name HB1 ))
   (  segid "    " and resid 76   and name HD1%)
 ASSI { 2811}
   (( segid "    " and resid 62   and name HB2 ))
   (  segid "    " and resid 63   and name HG2%)
      5.200     3.300     0.800 peak  2811 spectrum    1 weight  0.10000E+01 volume  0.22455E-03 ppm1      2.425 ppm2      0.886 CV     1
 OR { 2811}
   (( segid "    " and resid 62   and name HB1 ))
   (  segid "    " and resid 63   and name HG2%)
 OR { 2811}
   (( segid "    " and resid 62   and name HB1 ))
   (  segid "    " and resid 47   and name HG2%)
 OR { 2811}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 58   and name HG12))
 OR { 2811}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 58   and name HG12))
 OR { 2811}
   (( segid "    " and resid 62   and name HB2 ))
   (  segid "    " and resid 47   and name HG2%)
 OR { 2811}
   (( segid "    " and resid 62   and name HB2 ))
   (  segid "    " and resid 56   and name HG1%)
 OR { 2811}
   (( segid "    " and resid 62   and name HB1 ))
   (  segid "    " and resid 56   and name HG1%)
 OR { 2811}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 76   and name HG12))
 OR { 2811}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 40   and name H4A ))
 OR { 2811}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 76   and name HG12))
 OR { 2811}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 40   and name H4A ))
 ASSI { 2812}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 66   and name HN  ))
      3.300     1.300     1.300 peak  2812 spectrum    1 weight  0.10000E+01 volume  0.14187E-02 ppm1      3.212 ppm2      7.716 CV     1
 OR { 2812}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 65   and name HD22))
 ASSI { 2819}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 62   and name HB2 ))
      4.000     2.000     2.000 peak  2819 spectrum    1 weight  0.10000E+01 volume  0.51182E-03 ppm1      3.209 ppm2      2.426 CV     1
 OR { 2819}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 62   and name HB1 ))
 OR { 2819}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 40   and name H38B))
 ASSI { 2820}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 40   and name H2B ))
      4.700     2.800     1.300 peak  2820 spectrum    1 weight  0.10000E+01 volume  0.30627E-03 ppm1      3.211 ppm2      2.252 CV     1
 OR { 2820}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 40   and name H2A ))
 OR { 2820}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 43   and name HG1 ))
 OR { 2820}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 43   and name HG2 ))
 ASSI { 2822}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HB  ))
      2.400     0.700     0.700 peak  2822 spectrum    1 weight  0.10000E+01 volume  0.37244E-02 ppm1      3.211 ppm2      2.023 CV     1
 OR { 2822}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 76   and name HG11))
 ASSI { 2825}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 58   and name HB  ))
      4.500     2.600     1.500 peak  2825 spectrum    1 weight  0.10000E+01 volume  0.51145E-03 ppm1      3.213 ppm2      1.702 CV     1
 OR { 2825}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 64   and name HD2 ))
 OR { 2825}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 64   and name HD1 ))
 ASSI { 2828}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 66   and name HB2 ))
      3.600     1.600     1.600 peak  2828 spectrum    1 weight  0.10000E+01 volume  0.53918E-03 ppm1      3.211 ppm2      0.990 CV     1
 OR { 2828}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 40   and name H5B ))
 OR { 2828}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 40   and name H5A ))
 ASSI { 2829}
   (( segid "    " and resid 63   and name HA  ))
   (  segid "    " and resid 63   and name HG2%)
      2.300     0.600     0.600 peak  2829 spectrum    1 weight  0.10000E+01 volume  0.62793E-02 ppm1      3.211 ppm2      0.899 CV     1
 OR { 2829}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 40   and name H4A ))
 OR { 2829}
   (( segid "    " and resid 63   and name HA  ))
   (  segid "    " and resid 47   and name HG2%)
 OR { 2829}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 40   and name H4B ))
 ASSI { 2830}
   (( segid "    " and resid 63   and name HA  ))
   (  segid "    " and resid 63   and name HG1%)
      2.800     1.000     1.000 peak  2830 spectrum    1 weight  0.10000E+01 volume  0.45453E-02 ppm1      3.211 ppm2      0.818 CV     1
 OR { 2830}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 40   and name H4A ))
 OR { 2830}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 40   and name H4B ))
 OR { 2830}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 58   and name HG12))
 ASSI { 2832}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 66   and name HA  ))
      5.700     4.100     0.300 peak  2832 spectrum    1 weight  0.10000E+01 volume  0.19160E-03 ppm1      3.221 ppm2      4.492 CV     1
 OR { 2832}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 58   and name HA  ))
 OR { 2832}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 67   and name HA  ))
 ASSI { 2833}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 60   and name HA  ))
      5.900     4.300     0.100 peak  2833 spectrum    1 weight  0.10000E+01 volume  0.14579E-03 ppm1      3.213 ppm2      4.203 CV     1
 OR { 2833}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 75   and name HA  ))
 ASSI { 2835}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 60   and name HA  ))
      2.500     0.800     0.800 peak  2835 spectrum    1 weight  0.10000E+01 volume  0.40431E-02 ppm1      0.900 ppm2      4.201 CV     1
 OR { 2835}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 60   and name HA  ))
 ASSI { 2843}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 61   and name HA  ))
      4.800     2.800     1.200 peak  2843 spectrum    1 weight  0.10000E+01 volume  0.18879E-03 ppm1      0.820 ppm2      4.306 CV     1
 OR { 2843}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 61   and name HA  ))
 ASSI { 2845}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 65   and name HN  ))
      4.700     2.700     1.300 peak  2845 spectrum    1 weight  0.10000E+01 volume  0.25754E-03 ppm1      0.822 ppm2      7.275 CV     1
 OR { 2845}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 44   and name HN  ))
 ASSI { 2848}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 66   and name HN  ))
      4.700     2.700     1.300 peak  2848 spectrum    1 weight  0.10000E+01 volume  0.32895E-03 ppm1      0.818 ppm2      7.697 CV     1
 OR { 2848}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 52   and name HN  ))
 OR { 2848}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 65   and name HD22))
 ASSI { 2856}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 60   and name HB2 ))
      4.600     2.600     1.400 peak  2856 spectrum    1 weight  0.10000E+01 volume  0.31331E-03 ppm1      0.821 ppm2      2.630 CV     1
 OR { 2856}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 60   and name HB1 ))
 OR { 2856}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 60   and name HB1 ))
 OR { 2856}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 60   and name HB2 ))
 ASSI { 2858}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 40   and name H38B))
      4.700     2.700     1.300 peak  2858 spectrum    1 weight  0.10000E+01 volume  0.37533E-03 ppm1      0.818 ppm2      2.466 CV     1
 OR { 2858}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 51   and name HB1 ))
 OR { 2858}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 40   and name H38A))
 OR { 2858}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 62   and name HB1 ))
 OR { 2858}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 62   and name HB2 ))
 OR { 2858}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 62   and name HB2 ))
 ASSI { 2861}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 40   and name H2A ))
      3.000     1.100     1.100 peak  2861 spectrum    1 weight  0.10000E+01 volume  0.15663E-02 ppm1      0.816 ppm2      2.263 CV     1
 OR { 2861}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 43   and name HG1 ))
 OR { 2861}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 43   and name HG2 ))
 OR { 2861}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 40   and name H2B ))
 ASSI { 2867}
   (  segid "    " and resid 63   and name HG1%)
   (  segid "    " and resid 43   and name HE% )
      3.100     1.200     1.200 peak  2867 spectrum    1 weight  0.10000E+01 volume  0.95211E-03 ppm1      0.815 ppm2      1.474 CV     1
 OR { 2867}
   (  segid "    " and resid 63   and name HG1%)
   (  segid "    " and resid 50   and name HB% )
 OR { 2867}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 67   and name HG2 ))
 ASSI { 2869}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 64   and name HG1 ))
      5.200     3.300     0.800 peak  2869 spectrum    1 weight  0.10000E+01 volume  0.25770E-03 ppm1      0.818 ppm2      1.386 CV     1
 OR { 2869}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 57   and name HG1 ))
 OR { 2869}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 64   and name HG2 ))
 OR { 2869}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 57   and name HG2 ))
 ASSI { 2875}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 66   and name HN  ))
      3.300     1.400     1.400 peak  2875 spectrum    1 weight  0.10000E+01 volume  0.93384E-03 ppm1      3.976 ppm2      7.716 CV     1
 OR { 2875}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 65   and name HD22))
 ASSI { 2881}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 26   and name HN  ))
      5.100     3.300     0.900 peak  2881 spectrum    1 weight  0.10000E+01 volume  0.37435E-03 ppm1      1.763 ppm2      7.535 CV     1
 OR { 2881}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 63   and name HN  ))
 OR { 2881}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 62   and name HN  ))
 ASSI { 2890}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 40   and name H42B))
      3.700     1.800     1.800 peak  2890 spectrum    1 weight  0.10000E+01 volume  0.13151E-02 ppm1      3.975 ppm2      3.194 CV     1
 OR { 2890}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 40   and name H42A))
 OR { 2890}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 63   and name HA  ))
 ASSI { 2891}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 65   and name HB1 ))
      5.700     4.000     0.300 peak  2891 spectrum    1 weight  0.10000E+01 volume  0.15549E-03 ppm1      3.973 ppm2      3.068 CV     1
 OR { 2891}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 67   and name HE1 ))
 OR { 2891}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 67   and name HE2 ))
 ASSI { 2904}
   (( segid "    " and resid 64   and name HD2 ))
   (( segid "    " and resid 61   and name HA  ))
      4.600     2.700     1.400 peak  2904 spectrum    1 weight  0.10000E+01 volume  0.84052E-03 ppm1      1.675 ppm2      4.322 CV     1
 OR { 2904}
   (( segid "    " and resid 18   and name HG11))
   (( segid "    " and resid 42   and name HA  ))
 OR { 2904}
   (( segid "    " and resid 64   and name HD1 ))
   (( segid "    " and resid 61   and name HA  ))
 ASSI { 2905}
   (( segid "    " and resid 64   and name HD2 ))
   (( segid "    " and resid 64   and name HE1 ))
      2.400     0.700     0.700 peak  2905 spectrum    1 weight  0.10000E+01 volume  0.57947E-02 ppm1      1.672 ppm2      2.999 CV     1
 OR { 2905}
   (( segid "    " and resid 64   and name HD1 ))
   (( segid "    " and resid 64   and name HE2 ))
 OR { 2905}
   (( segid "    " and resid 74   and name HD2 ))
   (( segid "    " and resid 74   and name HE1 ))
 OR { 2905}
   (( segid "    " and resid 74   and name HD2 ))
   (( segid "    " and resid 74   and name HE2 ))
 OR { 2905}
   (( segid "    " and resid 64   and name HD2 ))
   (( segid "    " and resid 64   and name HE2 ))
 OR { 2905}
   (( segid "    " and resid 64   and name HD1 ))
   (( segid "    " and resid 64   and name HE1 ))
 ASSI { 2906}
   (( segid "    " and resid 64   and name HG1 ))
   (  segid "    " and resid 63   and name HG1%)
      4.300     2.300     1.700 peak  2906 spectrum    1 weight  0.10000E+01 volume  0.93082E-03 ppm1      1.395 ppm2      0.806 CV     1
 OR { 2906}
   (( segid "    " and resid 64   and name HG2 ))
   (  segid "    " and resid 63   and name HG1%)
 OR { 2906}
   (( segid "    " and resid 57   and name HG1 ))
   (( segid "    " and resid 58   and name HG12))
 ASSI { 2907}
   (( segid "    " and resid 64   and name HG1 ))
   (( segid "    " and resid 40   and name H38B))
      5.000     3.200     1.000 peak  2907 spectrum    1 weight  0.10000E+01 volume  0.31711E-03 ppm1      1.394 ppm2      2.451 CV     1
 OR { 2907}
   (( segid "    " and resid 64   and name HG2 ))
   (( segid "    " and resid 40   and name H38B))
 OR { 2907}
   (( segid "    " and resid 57   and name HG1 ))
   (( segid "    " and resid 51   and name HB1 ))
 OR { 2907}
   (( segid "    " and resid 64   and name HG1 ))
   (( segid "    " and resid 40   and name H38A))
 OR { 2907}
   (( segid "    " and resid 64   and name HG1 ))
   (( segid "    " and resid 62   and name HB2 ))
 OR { 2907}
   (( segid "    " and resid 64   and name HG1 ))
   (( segid "    " and resid 62   and name HB1 ))
 OR { 2907}
   (( segid "    " and resid 64   and name HG2 ))
   (( segid "    " and resid 40   and name H38A))
 OR { 2907}
   (( segid "    " and resid 64   and name HG2 ))
   (( segid "    " and resid 62   and name HB2 ))
 OR { 2907}
   (( segid "    " and resid 64   and name HG2 ))
   (( segid "    " and resid 62   and name HB1 ))
 OR { 2907}
   (( segid "    " and resid 64   and name HG2 ))
   (( segid "    " and resid 61   and name HB2 ))
 ASSI { 2908}
   (( segid "    " and resid 64   and name HG1 ))
   (( segid "    " and resid 64   and name HE1 ))
      2.800     1.000     1.000 peak  2908 spectrum    1 weight  0.10000E+01 volume  0.22765E-02 ppm1      1.399 ppm2      2.993 CV     1
 OR { 2908}
   (( segid "    " and resid 57   and name HG1 ))
   (( segid "    " and resid 57   and name HE2 ))
 OR { 2908}
   (( segid "    " and resid 64   and name HG1 ))
   (( segid "    " and resid 64   and name HE2 ))
 OR { 2908}
   (( segid "    " and resid 57   and name HG1 ))
   (( segid "    " and resid 57   and name HE1 ))
 OR { 2908}
   (( segid "    " and resid 64   and name HG2 ))
   (( segid "    " and resid 64   and name HE1 ))
 OR { 2908}
   (( segid "    " and resid 64   and name HG2 ))
   (( segid "    " and resid 64   and name HE2 ))
 ASSI { 2909}
   (( segid "    " and resid 64   and name HG1 ))
   (( segid "    " and resid 63   and name HA  ))
      5.200     3.400     0.800 peak  2909 spectrum    1 weight  0.10000E+01 volume  0.19734E-03 ppm1      1.412 ppm2      3.214 CV     1
 OR { 2909}
   (( segid "    " and resid 64   and name HG2 ))
   (( segid "    " and resid 63   and name HA  ))
 OR { 2909}
   (( segid "    " and resid 64   and name HG2 ))
   (( segid "    " and resid 40   and name H42B))
 ASSI { 2912}
   (( segid "    " and resid 64   and name HG2 ))
   (( segid "    " and resid 65   and name HD22))
      4.500     2.600     1.500 peak  2912 spectrum    1 weight  0.10000E+01 volume  0.19314E-03 ppm1      1.400 ppm2      7.745 CV     1
 OR { 2912}
   (( segid "    " and resid 64   and name HG1 ))
   (( segid "    " and resid 65   and name HD22))
 OR { 2912}
   (( segid "    " and resid 64   and name HG1 ))
   (( segid "    " and resid 66   and name HN  ))
 ASSI { 2918}
   (( segid "    " and resid 65   and name HB1 ))
   (( segid "    " and resid 65   and name HD21))
      4.400     2.400     1.600 peak  2918 spectrum    1 weight  0.10000E+01 volume  0.62958E-03 ppm1      3.059 ppm2      7.004 CV     1
 OR { 2918}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 79   and name HD2 ))
 ASSI { 2919}
   (( segid "    " and resid 65   and name HB1 ))
   (( segid "    " and resid 65   and name HD22))
      3.900     1.900     1.900 peak  2919 spectrum    1 weight  0.10000E+01 volume  0.18874E-02 ppm1      3.055 ppm2      7.734 CV     1
 OR { 2919}
   (( segid "    " and resid 65   and name HB1 ))
   (( segid "    " and resid 66   and name HN  ))
 ASSI { 2922}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 62   and name HA  ))
      5.500     3.700     0.500 peak  2922 spectrum    1 weight  0.10000E+01 volume  0.23245E-03 ppm1      2.735 ppm2      4.675 CV     1
 OR { 2922}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 56   and name HA  ))
 ASSI { 2929}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 72   and name HN  ))
      3.400     1.500     1.500 peak  2929 spectrum    1 weight  0.10000E+01 volume  0.38957E-03 ppm1      2.158 ppm2      8.199 CV     1
 OR { 2929}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 67   and name HN  ))
 ASSI { 2930}
   (( segid "    " and resid 66   and name HB1 ))
   (  segid "    " and resid 32   and name HE% )
      5.000     3.100     1.000 peak  2930 spectrum    1 weight  0.10000E+01 volume  0.24169E-03 ppm1      2.171 ppm2      6.990 CV     1
 OR { 2930}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 65   and name HD21))
 ASSI { 2931}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 32   and name HE% )
      4.800     2.900     1.200 peak  2931 spectrum    1 weight  0.10000E+01 volume  0.36690E-03 ppm1      0.970 ppm2      6.994 CV     1
 OR { 2931}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 65   and name HD21))
 ASSI { 2933}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 66   and name HA  ))
      2.500     0.800     0.800 peak  2933 spectrum    1 weight  0.10000E+01 volume  0.19677E-02 ppm1      2.163 ppm2      4.483 CV     1
 OR { 2933}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 71   and name HA  ))
 ASSI { 2936}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 66   and name HA  ))
      2.800     1.000     1.000 peak  2936 spectrum    1 weight  0.10000E+01 volume  0.30188E-02 ppm1      0.973 ppm2      4.487 CV     1
 OR { 2936}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 67   and name HA  ))
 OR { 2936}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 71   and name HA  ))
 ASSI { 2942}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 71   and name HB1 ))
      4.800     2.800     1.200 peak  2942 spectrum    1 weight  0.10000E+01 volume  0.38041E-03 ppm1      0.973 ppm2      3.142 CV     1
 OR { 2942}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 75   and name HB1 ))
 OR { 2942}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 75   and name HB2 ))
 ASSI { 2947}
   (( segid "    " and resid 66   and name HB1 ))
   (  segid "    " and resid 66   and name HD2%)
      2.700     0.900     0.900 peak  2947 spectrum    1 weight  0.10000E+01 volume  0.23081E-02 ppm1      2.166 ppm2      0.601 CV     1
 OR { 2947}
   (( segid "    " and resid 66   and name HB1 ))
   (  segid "    " and resid 40   and name H6% )
 ASSI { 2949}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 66   and name HB2 ))
      1.400     0.300     0.800 peak  2949 spectrum    1 weight  0.10000E+01 volume  0.14170E-01 ppm1      2.163 ppm2      0.968 CV     1
 OR { 2949}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 40   and name H5A ))
 ASSI { 2950}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 40   and name H4B ))
      3.800     1.800     1.800 peak  2950 spectrum    1 weight  0.10000E+01 volume  0.92228E-03 ppm1      2.164 ppm2      0.863 CV     1
 OR { 2950}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 40   and name H4A ))
 OR { 2950}
   (( segid "    " and resid 66   and name HB1 ))
   (  segid "    " and resid 63   and name HG2%)
 OR { 2950}
   (( segid "    " and resid 66   and name HB1 ))
   (  segid "    " and resid 11   and name HD1%)
 OR { 2950}
   (( segid "    " and resid 66   and name HB1 ))
   (  segid "    " and resid 63   and name HG1%)
 ASSI { 2957}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 72   and name HN  ))
      4.700     2.800     1.300 peak  2957 spectrum    1 weight  0.10000E+01 volume  0.45675E-03 ppm1      0.412 ppm2      8.196 CV     1
 OR { 2957}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 67   and name HN  ))
 ASSI { 2962}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 64   and name HN  ))
      4.600     2.600     1.400 peak  2962 spectrum    1 weight  0.10000E+01 volume  0.20318E-03 ppm1      0.402 ppm2      7.177 CV     1
 OR { 2962}
   (  segid "    " and resid 66   and name HD1%)
   (  segid "    " and resid 32   and name HD% )
 OR { 2962}
   (  segid "    " and resid 66   and name HD1%)
   (  segid "    " and resid 54   and name HE% )
 ASSI { 2963}
   (  segid "    " and resid 66   and name HD1%)
   (  segid "    " and resid 32   and name HE% )
      4.900     3.000     1.100 peak  2963 spectrum    1 weight  0.10000E+01 volume  0.24307E-03 ppm1      0.407 ppm2      6.986 CV     1
 OR { 2963}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 79   and name HD2 ))
 ASSI { 2967}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 66   and name HA  ))
      4.100     2.200     1.900 peak  2967 spectrum    1 weight  0.10000E+01 volume  0.13575E-02 ppm1      0.412 ppm2      4.490 CV     1
 OR { 2967}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 58   and name HA  ))
 OR { 2967}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 71   and name HA  ))
 ASSI { 2968}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 75   and name HA  ))
      5.800     4.200     0.200 peak  2968 spectrum    1 weight  0.10000E+01 volume  0.17485E-03 ppm1      0.412 ppm2      4.217 CV     1
 OR { 2968}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 73   and name HB  ))
 ASSI { 2971}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 75   and name HB1 ))
      3.300     1.400     1.400 peak  2971 spectrum    1 weight  0.10000E+01 volume  0.13966E-02 ppm1      0.413 ppm2      3.107 CV     1
 OR { 2971}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 75   and name HB2 ))
 OR { 2971}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 71   and name HB1 ))
 ASSI { 2973}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 40   and name H43B))
      3.700     3.700     2.300 peak  2973 spectrum    1 weight  0.10000E+01 volume  0.16851E-03 ppm1      0.410 ppm2      2.810 CV     1
 OR { 2973}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 51   and name HG1 ))
 OR { 2973}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 40   and name H43A))
 ASSI { 2978}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 76   and name HG11))
      3.800     1.900     1.900 peak  2978 spectrum    1 weight  0.10000E+01 volume  0.71098E-03 ppm1      0.410 ppm2      2.008 CV     1
 OR { 2978}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 63   and name HB  ))
 OR { 2978}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 74   and name HB1 ))
 ASSI { 2980}
   (  segid "    " and resid 66   and name HD1%)
   (  segid "    " and resid 50   and name HB% )
      4.900     3.000     1.100 peak  2980 spectrum    1 weight  0.10000E+01 volume  0.28080E-03 ppm1      0.408 ppm2      1.459 CV     1
 OR { 2980}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 67   and name HG2 ))
 OR { 2980}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 74   and name HG2 ))
 OR { 2980}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 74   and name HG1 ))
 ASSI { 2982}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 66   and name HB2 ))
      2.200     0.600     0.600 peak  2982 spectrum    1 weight  0.10000E+01 volume  0.54914E-02 ppm1      0.412 ppm2      0.970 CV     1
 OR { 2982}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 40   and name H5A ))
 OR { 2982}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 40   and name H5B ))
 ASSI { 2985}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 40   and name H3B ))
      5.000     3.100     1.000 peak  2985 spectrum    1 weight  0.10000E+01 volume  0.50081E-03 ppm1      0.409 ppm2      1.088 CV     1
 OR { 2985}
   (  segid "    " and resid 66   and name HD1%)
   (  segid "    " and resid 73   and name HG2%)
 ASSI { 2987}
   (  segid "    " and resid 66   and name HD1%)
   (  segid "    " and resid 66   and name HD2%)
      2.300     0.600     0.600 peak  2987 spectrum    1 weight  0.10000E+01 volume  0.96175E-02 ppm1      0.412 ppm2      0.605 CV     1
 OR { 2987}
   (  segid "    " and resid 66   and name HD1%)
   (  segid "    " and resid 40   and name H6% )
 OR { 2987}
   (  segid "    " and resid 66   and name HD1%)
   (  segid "    " and resid 76   and name HD1%)
 ASSI { 2988}
   (  segid "    " and resid 66   and name HD1%)
   (  segid "    " and resid 7    and name HG2%)
      3.400     1.500     1.500 peak  2988 spectrum    1 weight  0.10000E+01 volume  0.41237E-02 ppm1      0.412 ppm2      0.518 CV     1
 OR { 2988}
   (  segid "    " and resid 66   and name HD1%)
   (  segid "    " and resid 76   and name HG2%)
 OR { 2988}
   (  segid "    " and resid 66   and name HD1%)
   (  segid "    " and resid 7    and name HD1%)
 ASSI { 2991}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 73   and name HN  ))
      5.000     3.200     1.000 peak  2991 spectrum    1 weight  0.10000E+01 volume  0.37864E-03 ppm1      0.598 ppm2      8.609 CV     1
 OR { 2991}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 68   and name HN  ))
 ASSI { 2992}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 76   and name HN  ))
      5.100     3.300     0.900 peak  2992 spectrum    1 weight  0.10000E+01 volume  0.34506E-03 ppm1      0.598 ppm2      8.509 CV     1
 OR { 2992}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 77   and name HN  ))
 ASSI { 2994}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 72   and name HN  ))
      3.500     1.600     1.600 peak  2994 spectrum    1 weight  0.10000E+01 volume  0.14718E-02 ppm1      0.602 ppm2      8.200 CV     1
 OR { 2994}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 67   and name HN  ))
 ASSI { 3002}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 65   and name HD21))
      4.900     3.000     1.100 peak  3002 spectrum    1 weight  0.10000E+01 volume  0.21343E-03 ppm1      0.603 ppm2      6.999 CV     1
 OR { 3002}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 79   and name HD2 ))
 OR { 3002}
   (  segid "    " and resid 66   and name HD2%)
   (  segid "    " and resid 32   and name HE% )
 ASSI { 3009}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 75   and name HB2 ))
      2.300     0.700     0.700 peak  3009 spectrum    1 weight  0.10000E+01 volume  0.55311E-02 ppm1      0.602 ppm2      3.111 CV     1
 OR { 3009}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 75   and name HB1 ))
 OR { 3009}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 71   and name HB1 ))
 ASSI { 3016}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 76   and name HG11))
      4.800     2.900     1.200 peak  3016 spectrum    1 weight  0.10000E+01 volume  0.30602E-03 ppm1      0.601 ppm2      2.041 CV     1
 OR { 3016}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 67   and name HB1 ))
 OR { 3016}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 67   and name HB2 ))
 ASSI { 3019}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 74   and name HG1 ))
      5.600     4.000     0.400 peak  3019 spectrum    1 weight  0.10000E+01 volume  0.12890E-03 ppm1      0.597 ppm2      1.479 CV     1
 OR { 3019}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 74   and name HG2 ))
 OR { 3019}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 67   and name HG2 ))
 OR { 3019}
   (  segid "    " and resid 66   and name HD2%)
   (  segid "    " and resid 50   and name HB% )
 ASSI { 3020}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 74   and name HG1 ))
      4.600     2.700     1.400 peak  3020 spectrum    1 weight  0.10000E+01 volume  0.31994E-03 ppm1      0.596 ppm2      1.418 CV     1
 OR { 3020}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 74   and name HG2 ))
 OR { 3020}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 67   and name HG2 ))
 ASSI { 3022}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 66   and name HB2 ))
      3.500     1.500     1.500 peak  3022 spectrum    1 weight  0.10000E+01 volume  0.22197E-02 ppm1      0.600 ppm2      0.958 CV     1
 OR { 3022}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 76   and name HG12))
 OR { 3022}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 40   and name H5A ))
 ASSI { 3023}
   (  segid "    " and resid 66   and name HD2%)
   (  segid "    " and resid 7    and name HD1%)
      3.600     3.600     2.400 peak  3023 spectrum    1 weight  0.10000E+01 volume  0.33418E-02 ppm1      0.601 ppm2      0.480 CV     1
 OR { 3023}
   (  segid "    " and resid 66   and name HD2%)
   (  segid "    " and resid 69   and name HG1%)
 ASSI { 3032}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HG11))
      2.900     1.100     1.100 peak  3032 spectrum    1 weight  0.10000E+01 volume  0.15387E-02 ppm1      4.486 ppm2      1.574 CV     1
 OR { 3032}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HG1 ))
 ASSI { 3033}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HD1 ))
      3.700     1.700     1.700 peak  3033 spectrum    1 weight  0.10000E+01 volume  0.22843E-02 ppm1      4.484 ppm2      1.770 CV     1
 OR { 3033}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HD2 ))
 OR { 3033}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 66   and name HG  ))
 ASSI { 3037}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 32   and name HB2 ))
      3.400     1.500     1.500 peak  3037 spectrum    1 weight  0.10000E+01 volume  0.93178E-03 ppm1      4.494 ppm2      3.175 CV     1
 OR { 3037}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 40   and name H42B))
 OR { 3037}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 63   and name HA  ))
 OR { 3037}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 75   and name HB1 ))
 ASSI { 3042}
   (( segid "    " and resid 67   and name HA  ))
   (  segid "    " and resid 32   and name HD% )
      3.400     1.500     1.500 peak  3042 spectrum    1 weight  0.10000E+01 volume  0.96577E-03 ppm1      4.483 ppm2      7.194 CV     1
 OR { 3042}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
 ASSI { 3045}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 66   and name HN  ))
      5.700     4.100     0.300 peak  3045 spectrum    1 weight  0.10000E+01 volume  0.89104E-04 ppm1      4.496 ppm2      7.732 CV     1
 OR { 3045}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 66   and name HN  ))
 ASSI { 3051}
   (( segid "    " and resid 67   and name HE2 ))
   (  segid "    " and resid 68   and name HG2%)
      3.500     1.500     1.500 peak  3051 spectrum    1 weight  0.10000E+01 volume  0.28345E-03 ppm1      3.104 ppm2      1.061 CV     1
 OR { 3051}
   (( segid "    " and resid 67   and name HE1 ))
   (  segid "    " and resid 68   and name HG2%)
 OR { 3051}
   (( segid "    " and resid 39   and name HB1 ))
   (  segid "    " and resid 14   and name HG2%)
 ASSI { 3052}
   (( segid "    " and resid 39   and name HB1 ))
   (  segid "    " and resid 41   and name HD2%)
      4.900     3.000     1.100 peak  3052 spectrum    1 weight  0.10000E+01 volume  0.40670E-03 ppm1      3.108 ppm2      1.015 CV     1
 OR { 3052}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 68   and name HG2%)
 OR { 3052}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 40   and name H5A ))
 OR { 3052}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 40   and name H5B ))
 ASSI { 3053}
   (( segid "    " and resid 67   and name HD1 ))
   (( segid "    " and resid 67   and name HA  ))
      3.800     1.800     1.800 peak  3053 spectrum    1 weight  0.10000E+01 volume  0.19446E-02 ppm1      1.769 ppm2      4.486 CV     1
 OR { 3053}
   (( segid "    " and resid 67   and name HD2 ))
   (( segid "    " and resid 67   and name HA  ))
 OR { 3053}
   (( segid "    " and resid 74   and name HD1 ))
   (( segid "    " and resid 71   and name HA  ))
 ASSI { 3054}
   (( segid "    " and resid 27   and name HD1 ))
   (( segid "    " and resid 27   and name HB1 ))
      2.700     0.900     0.900 peak  3054 spectrum    1 weight  0.10000E+01 volume  0.34454E-02 ppm1      1.767 ppm2      2.053 CV     1
 OR { 3054}
   (( segid "    " and resid 67   and name HD1 ))
   (( segid "    " and resid 67   and name HB1 ))
 OR { 3054}
   (( segid "    " and resid 67   and name HD1 ))
   (( segid "    " and resid 67   and name HB2 ))
 OR { 3054}
   (( segid "    " and resid 67   and name HD2 ))
   (( segid "    " and resid 67   and name HB2 ))
 OR { 3054}
   (( segid "    " and resid 67   and name HD2 ))
   (( segid "    " and resid 67   and name HB1 ))
 ASSI { 3059}
   (( segid "    " and resid 67   and name HD1 ))
   (( segid "    " and resid 65   and name HA  ))
      4.400     2.400     1.600 peak  3059 spectrum    1 weight  0.10000E+01 volume  0.28483E-03 ppm1      1.763 ppm2      4.884 CV     1
 OR { 3059}
   (( segid "    " and resid 67   and name HD2 ))
   (( segid "    " and resid 31   and name HA  ))
 OR { 3059}
   (( segid "    " and resid 67   and name HD1 ))
   (( segid "    " and resid 31   and name HA  ))
 ASSI { 3060}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HA  ))
      3.600     1.700     1.700 peak  3060 spectrum    1 weight  0.10000E+01 volume  0.15668E-02 ppm1      1.578 ppm2      4.482 CV     1
 OR { 3060}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 66   and name HA  ))
 ASSI { 3061}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HA  ))
      3.500     1.500     1.500 peak  3061 spectrum    1 weight  0.10000E+01 volume  0.17005E-02 ppm1      1.464 ppm2      4.483 CV     1
 OR { 3061}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 66   and name HA  ))
 ASSI { 3094}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 31   and name HB2 ))
      5.800     4.200     0.200 peak  3094 spectrum    1 weight  0.10000E+01 volume  0.18425E-03 ppm1      4.354 ppm2      3.825 CV     1
 OR { 3094}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 70   and name HA2 ))
 ASSI { 3099}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 31   and name HB1 ))
      3.900     1.900     1.900 peak  3099 spectrum    1 weight  0.10000E+01 volume  0.14635E-02 ppm1      5.248 ppm2      4.102 CV     1
 OR { 3099}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 32   and name HA  ))
 ASSI { 3102}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 32   and name HB2 ))
      3.900     1.900     1.900 peak  3102 spectrum    1 weight  0.10000E+01 volume  0.58093E-03 ppm1      5.247 ppm2      3.151 CV     1
 OR { 3102}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 71   and name HB1 ))
 ASSI { 3105}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 69   and name HB  ))
      4.000     2.000     2.000 peak  3105 spectrum    1 weight  0.10000E+01 volume  0.88647E-03 ppm1      5.249 ppm2      2.269 CV     1
 OR { 3105}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 40   and name H2B ))
 ASSI { 3107}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 67   and name HB2 ))
      3.400     1.400     1.400 peak  3107 spectrum    1 weight  0.10000E+01 volume  0.79265E-03 ppm1      5.246 ppm2      2.053 CV     1
 OR { 3107}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 67   and name HB1 ))
 OR { 3107}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 30   and name HB1 ))
 ASSI { 3108}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 67   and name HD2 ))
      5.300     3.500     0.700 peak  3108 spectrum    1 weight  0.10000E+01 volume  0.10656E-03 ppm1      5.254 ppm2      1.755 CV     1
 OR { 3108}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 67   and name HD1 ))
 OR { 3108}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 28   and name HG  ))
 OR { 3108}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 28   and name HB1 ))
 ASSI { 3109}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 67   and name HG1 ))
      4.100     2.100     1.900 peak  3109 spectrum    1 weight  0.10000E+01 volume  0.34952E-03 ppm1      5.244 ppm2      1.578 CV     1
 OR { 3109}
   (( segid "    " and resid 68   and name HA  ))
   (  segid "    " and resid 72   and name HB% )
 ASSI { 3110}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 67   and name HG2 ))
      4.600     2.700     1.400 peak  3110 spectrum    1 weight  0.10000E+01 volume  0.23533E-03 ppm1      5.239 ppm2      1.476 CV     1
 OR { 3110}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 36   and name HG  ))
 OR { 3110}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 28   and name HB2 ))
 ASSI { 3113}
   (( segid "    " and resid 68   and name HA  ))
   (  segid "    " and resid 36   and name HD1%)
      4.700     2.800     1.300 peak  3113 spectrum    1 weight  0.10000E+01 volume  0.33021E-03 ppm1      5.249 ppm2      0.607 CV     1
 OR { 3113}
   (( segid "    " and resid 68   and name HA  ))
   (  segid "    " and resid 69   and name HG2%)
 ASSI { 3119}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 28   and name HG  ))
      4.400     2.400     1.600 peak  3119 spectrum    1 weight  0.10000E+01 volume  0.56732E-03 ppm1      4.341 ppm2      1.769 CV     1
 OR { 3119}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 28   and name HB1 ))
 OR { 3119}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 67   and name HD2 ))
 OR { 3119}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 66   and name HG  ))
 ASSI { 3120}
   (( segid "    " and resid 68   and name HB  ))
   (  segid "    " and resid 72   and name HB% )
      5.400     3.700     0.600 peak  3120 spectrum    1 weight  0.10000E+01 volume  0.12409E-03 ppm1      4.358 ppm2      1.561 CV     1
 OR { 3120}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 67   and name HG1 ))
 OR { 3120}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 27   and name HB2 ))
 ASSI { 3122}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 67   and name HB2 ))
      4.000     2.000     2.000 peak  3122 spectrum    1 weight  0.10000E+01 volume  0.60642E-03 ppm1      4.355 ppm2      2.067 CV     1
 OR { 3122}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 30   and name HB1 ))
 ASSI { 3130}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 68   and name HN  ))
      2.900     1.100     1.100 peak  3130 spectrum    1 weight  0.10000E+01 volume  0.36498E-02 ppm1      1.062 ppm2      8.598 CV     1
 OR { 3130}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 73   and name HN  ))
 ASSI { 3132}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 32   and name HN  ))
      4.200     2.300     1.800 peak  3132 spectrum    1 weight  0.10000E+01 volume  0.16083E-02 ppm1      1.063 ppm2      8.219 CV     1
 OR { 3132}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 67   and name HN  ))
 ASSI { 3133}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 69   and name HN  ))
      3.700     1.700     1.700 peak  3133 spectrum    1 weight  0.10000E+01 volume  0.20364E-02 ppm1      1.062 ppm2      8.141 CV     1
 OR { 3133}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 72   and name HN  ))
 ASSI { 3138}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 71   and name HB1 ))
      4.000     2.000     2.000 peak  3138 spectrum    1 weight  0.10000E+01 volume  0.91360E-03 ppm1      1.064 ppm2      3.113 CV     1
 OR { 3138}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 67   and name HE1 ))
 OR { 3138}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 75   and name HB1 ))
 OR { 3138}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 71   and name HB1 ))
 OR { 3138}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 75   and name HB2 ))
 ASSI { 3139}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 34   and name HB1 ))
      3.500     1.500     1.500 peak  3139 spectrum    1 weight  0.10000E+01 volume  0.40243E-03 ppm1      1.065 ppm2      2.784 CV     1
 OR { 3139}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 29   and name HB1 ))
 OR { 3139}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 54   and name HB2 ))
 ASSI { 3142}
   (  segid "    " and resid 68   and name HG2%)
   (  segid "    " and resid 69   and name HG1%)
      4.200     2.200     1.800 peak  3142 spectrum    1 weight  0.10000E+01 volume  0.33989E-03 ppm1      1.060 ppm2      0.427 CV     1
 OR { 3142}
   (  segid "    " and resid 73   and name HG2%)
   (  segid "    " and resid 69   and name HG1%)
 OR { 3142}
   (  segid "    " and resid 73   and name HG2%)
   (  segid "    " and resid 66   and name HD1%)
 OR { 3142}
   (  segid "    " and resid 68   and name HG2%)
   (  segid "    " and resid 66   and name HD1%)
 ASSI { 3148}
   (( segid "    " and resid 69   and name HB  ))
   (  segid "    " and resid 69   and name HG1%)
      2.100     0.600     0.600 peak  3148 spectrum    1 weight  0.10000E+01 volume  0.71372E-02 ppm1      2.278 ppm2      0.441 CV     1
 OR { 3148}
   (( segid "    " and resid 43   and name HG1 ))
   (  segid "    " and resid 66   and name HD1%)
 ASSI { 3149}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 69   and name HG2%)
      2.300     0.700     0.700 peak  3149 spectrum    1 weight  0.10000E+01 volume  0.67480E-02 ppm1      3.387 ppm2      0.645 CV     1
 OR { 3149}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 46   and name HG1%)
 OR { 3149}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 36   and name HD1%)
 ASSI { 3150}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 11   and name HD1%)
      3.400     1.500     1.500 peak  3150 spectrum    1 weight  0.10000E+01 volume  0.15672E-02 ppm1      3.386 ppm2      0.850 CV     1
 OR { 3150}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 40   and name H4B ))
 OR { 3150}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 11   and name HD2%)
 OR { 3150}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 40   and name H4A ))
 OR { 3150}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 11   and name HD2%)
 OR { 3150}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 47   and name HG1%)
 OR { 3150}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 28   and name HD1%)
 ASSI { 3151}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 28   and name HB1 ))
      5.400     3.700     0.600 peak  3151 spectrum    1 weight  0.10000E+01 volume  0.19229E-03 ppm1      3.381 ppm2      1.773 CV     1
 OR { 3151}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 28   and name HG  ))
 OR { 3151}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 66   and name HG  ))
 OR { 3151}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 76   and name HB  ))
 ASSI { 3152}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 72   and name HB% )
      2.500     0.800     0.800 peak  3152 spectrum    1 weight  0.10000E+01 volume  0.35027E-02 ppm1      3.386 ppm2      1.589 CV     1
 OR { 3152}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 18   and name HB  ))
 ASSI { 3153}
   (  segid "    " and resid 69   and name HG1%)
   (  segid "    " and resid 26   and name HG2%)
      3.200     1.200     1.200 peak  3153 spectrum    1 weight  0.10000E+01 volume  0.21679E-02 ppm1      0.442 ppm2      0.918 CV     1
 OR { 3153}
   (  segid "    " and resid 69   and name HG1%)
   (  segid "    " and resid 8    and name HG1%)
 OR { 3153}
   (  segid "    " and resid 69   and name HG1%)
   (  segid "    " and resid 28   and name HD2%)
 ASSI { 3154}
   (  segid "    " and resid 69   and name HG1%)
   (  segid "    " and resid 8    and name HG1%)
      3.100     1.200     1.200 peak  3154 spectrum    1 weight  0.10000E+01 volume  0.20076E-02 ppm1      0.443 ppm2      0.857 CV     1
 OR { 3154}
   (  segid "    " and resid 69   and name HG1%)
   (  segid "    " and resid 11   and name HD1%)
 OR { 3154}
   (  segid "    " and resid 69   and name HG1%)
   (  segid "    " and resid 28   and name HD1%)
 ASSI { 3156}
   (  segid "    " and resid 69   and name HG1%)
   (  segid "    " and resid 69   and name HG2%)
      2.000     0.500     0.500 peak  3156 spectrum    1 weight  0.10000E+01 volume  0.17797E-01 ppm1      0.443 ppm2      0.638 CV     1
 OR { 3156}
   (  segid "    " and resid 69   and name HG1%)
   (  segid "    " and resid 36   and name HD1%)
 ASSI { 3157}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 28   and name HG  ))
      4.300     2.300     1.700 peak  3157 spectrum    1 weight  0.10000E+01 volume  0.77223E-03 ppm1      0.442 ppm2      1.796 CV     1
 OR { 3157}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 7    and name HB  ))
 OR { 3157}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 76   and name HB  ))
 ASSI { 3158}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 28   and name HB1 ))
      4.400     2.400     1.600 peak  3158 spectrum    1 weight  0.10000E+01 volume  0.59486E-03 ppm1      0.444 ppm2      1.758 CV     1
 OR { 3158}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 28   and name HG  ))
 OR { 3158}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 7    and name HB  ))
 ASSI { 3159}
   (  segid "    " and resid 69   and name HG1%)
   (  segid "    " and resid 12   and name HB% )
      4.300     2.300     1.700 peak  3159 spectrum    1 weight  0.10000E+01 volume  0.46884E-03 ppm1      0.441 ppm2      1.695 CV     1
 OR { 3159}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 28   and name HB1 ))
 ASSI { 3160}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 27   and name HB2 ))
      3.200     1.300     1.300 peak  3160 spectrum    1 weight  0.10000E+01 volume  0.15009E-02 ppm1      0.443 ppm2      1.585 CV     1
 OR { 3160}
   (  segid "    " and resid 69   and name HG1%)
   (  segid "    " and resid 72   and name HB% )
 OR { 3160}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 7    and name HG11))
 ASSI { 3161}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 36   and name HG  ))
      3.900     1.900     1.900 peak  3161 spectrum    1 weight  0.10000E+01 volume  0.10685E-02 ppm1      0.444 ppm2      1.477 CV     1
 OR { 3161}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 28   and name HB2 ))
 ASSI { 3165}
   (  segid "    " and resid 69   and name HG1%)
   (  segid "    " and resid 8    and name HG2%)
      3.600     1.600     1.600 peak  3165 spectrum    1 weight  0.10000E+01 volume  0.37835E-03 ppm1      0.440 ppm2      1.065 CV     1
 OR { 3165}
   (  segid "    " and resid 69   and name HG1%)
   (  segid "    " and resid 73   and name HG2%)
 ASSI { 3168}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 14   and name HB  ))
      2.800     0.900     0.900 peak  3168 spectrum    1 weight  0.10000E+01 volume  0.15908E-02 ppm1      0.656 ppm2      2.108 CV     1
 OR { 3168}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 11   and name HB1 ))
 ASSI { 3169}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 43   and name HB1 ))
      3.600     1.600     1.600 peak  3169 spectrum    1 weight  0.10000E+01 volume  0.10537E-02 ppm1      0.654 ppm2      2.053 CV     1
 OR { 3169}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 30   and name HB1 ))
 ASSI { 3170}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 14   and name HG11))
      4.000     2.000     2.000 peak  3170 spectrum    1 weight  0.10000E+01 volume  0.82969E-03 ppm1      0.655 ppm2      2.014 CV     1
 OR { 3170}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 11   and name HG  ))
 OR { 3170}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 43   and name HB1 ))
 OR { 3170}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 30   and name HB1 ))
 ASSI { 3171}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 28   and name HB1 ))
      4.300     2.400     1.700 peak  3171 spectrum    1 weight  0.10000E+01 volume  0.10453E-02 ppm1      0.652 ppm2      1.747 CV     1
 OR { 3171}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 7    and name HB  ))
 OR { 3171}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 28   and name HG  ))
 OR { 3171}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 76   and name HB  ))
 ASSI { 3173}
   (  segid "    " and resid 46   and name HG1%)
   (  segid "    " and resid 11   and name HD2%)
      2.200     0.600     0.600 peak  3173 spectrum    1 weight  0.10000E+01 volume  0.10067E-01 ppm1      0.659 ppm2      0.852 CV     1
 OR { 3173}
   (  segid "    " and resid 69   and name HG2%)
   (  segid "    " and resid 11   and name HD1%)
 OR { 3173}
   (  segid "    " and resid 46   and name HG1%)
   (  segid "    " and resid 11   and name HD1%)
 OR { 3173}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 40   and name H4A ))
 OR { 3173}
   (  segid "    " and resid 69   and name HG2%)
   (  segid "    " and resid 28   and name HD1%)
 OR { 3173}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 40   and name H4B ))
 ASSI { 3175}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HB  ))
      2.600     0.900     0.900 peak  3175 spectrum    1 weight  0.10000E+01 volume  0.26981E-02 ppm1      3.395 ppm2      2.279 CV     1
 OR { 3175}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HB  ))
 OR { 3175}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 45   and name HB1 ))
 OR { 3175}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 40   and name H2B ))
 ASSI { 3176}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 69   and name HB  ))
      1.900     0.400     0.400 peak  3176 spectrum    1 weight  0.10000E+01 volume  0.14420E-01 ppm1      0.660 ppm2      2.283 CV     1
 OR { 3176}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 46   and name HB  ))
 OR { 3176}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 43   and name HG1 ))
 ASSI { 3177}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 71   and name HB1 ))
      4.700     2.700     1.300 peak  3177 spectrum    1 weight  0.10000E+01 volume  0.24442E-03 ppm1      0.442 ppm2      3.156 CV     1
 OR { 3177}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 75   and name HB1 ))
 ASSI { 3178}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 71   and name HB1 ))
      6.000     4.900     0.000 peak  3178 spectrum    1 weight  0.10000E+01 volume  0.79790E-04 ppm1      0.443 ppm2      3.108 CV     1
 OR { 3178}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 75   and name HB1 ))
 OR { 3178}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 75   and name HB2 ))
 ASSI { 3179}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 35   and name HB1 ))
      4.700     2.700     1.300 peak  3179 spectrum    1 weight  0.10000E+01 volume  0.15842E-03 ppm1      0.443 ppm2      3.044 CV     1
 OR { 3179}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 27   and name HE2 ))
 OR { 3179}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 74   and name HE2 ))
 OR { 3179}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 74   and name HE1 ))
 ASSI { 3183}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 73   and name HA  ))
      4.700     2.700     1.300 peak  3183 spectrum    1 weight  0.10000E+01 volume  0.47112E-03 ppm1      0.445 ppm2      3.659 CV     1
 OR { 3183}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 4    and name HA  ))
 ASSI { 3184}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 26   and name HA  ))
      2.900     1.100     1.100 peak  3184 spectrum    1 weight  0.10000E+01 volume  0.23011E-02 ppm1      0.444 ppm2      3.569 CV     1
 OR { 3184}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 28   and name HA  ))
 ASSI { 3186}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 28   and name HA  ))
      2.600     0.800     0.800 peak  3186 spectrum    1 weight  0.10000E+01 volume  0.57851E-02 ppm1      0.651 ppm2      3.584 CV     1
 OR { 3186}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 26   and name HA  ))
 OR { 3186}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 15   and name HA  ))
 ASSI { 3187}
   (( segid "    " and resid 69   and name HB  ))
   (( segid "    " and resid 28   and name HA  ))
      1.900     0.500     0.500 peak  3187 spectrum    1 weight  0.10000E+01 volume  0.73098E-02 ppm1      2.274 ppm2      3.584 CV     1
 OR { 3187}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 15   and name HA  ))
 OR { 3187}
   (( segid "    " and resid 69   and name HB  ))
   (( segid "    " and resid 26   and name HA  ))
 OR { 3187}
   (( segid "    " and resid 46   and name HB  ))
   (( segid "    " and resid 15   and name HA  ))
 ASSI { 3188}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 16   and name HB1 ))
      5.400     3.600     0.600 peak  3188 spectrum    1 weight  0.10000E+01 volume  0.25467E-03 ppm1      2.268 ppm2      3.072 CV     1
 OR { 3188}
   (( segid "    " and resid 69   and name HB  ))
   (( segid "    " and resid 71   and name HB1 ))
 OR { 3188}
   (( segid "    " and resid 69   and name HB  ))
   (( segid "    " and resid 74   and name HE2 ))
 OR { 3188}
   (( segid "    " and resid 69   and name HB  ))
   (( segid "    " and resid 74   and name HE1 ))
 ASSI { 3189}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 71   and name HB1 ))
      5.000     3.100     1.000 peak  3189 spectrum    1 weight  0.10000E+01 volume  0.13493E-03 ppm1      3.384 ppm2      3.105 CV     1
 OR { 3189}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 75   and name HB1 ))
 ASSI { 3190}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 73   and name HA  ))
      4.300     2.300     1.700 peak  3190 spectrum    1 weight  0.10000E+01 volume  0.68138E-03 ppm1      3.385 ppm2      3.661 CV     1
 OR { 3190}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 42   and name HB2 ))
 ASSI { 3191}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 70   and name HA2 ))
      4.200     2.200     1.800 peak  3191 spectrum    1 weight  0.10000E+01 volume  0.25919E-03 ppm1      3.384 ppm2      3.819 CV     1
 OR { 3191}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 14   and name HA  ))
 ASSI { 3197}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 29   and name HA  ))
      6.000     4.400     0.000 peak  3197 spectrum    1 weight  0.10000E+01 volume  0.12817E-03 ppm1      0.443 ppm2      4.499 CV     1
 OR { 3197}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 71   and name HA  ))
 OR { 3197}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 66   and name HA  ))
 ASSI { 3200}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 32   and name HA  ))
      3.900     1.900     1.900 peak  3200 spectrum    1 weight  0.10000E+01 volume  0.77515E-03 ppm1      0.444 ppm2      4.077 CV     1
 OR { 3200}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 72   and name HA  ))
 ASSI { 3201}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 73   and name HB  ))
      4.300     2.400     1.700 peak  3201 spectrum    1 weight  0.10000E+01 volume  0.79772E-03 ppm1      0.652 ppm2      4.192 CV     1
 OR { 3201}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 60   and name HA  ))
 OR { 3201}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 51   and name HA  ))
 ASSI { 3207}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 30   and name HN  ))
      4.000     2.000     2.000 peak  3207 spectrum    1 weight  0.10000E+01 volume  0.39784E-03 ppm1      0.649 ppm2      7.507 CV     1
 OR { 3207}
   (  segid "    " and resid 46   and name HG1%)
   (  segid "    " and resid 54   and name HD% )
 ASSI { 3213}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 32   and name HZ  ))
      3.200     1.300     1.300 peak  3213 spectrum    1 weight  0.10000E+01 volume  0.20123E-02 ppm1      0.443 ppm2      6.850 CV     1
 OR { 3213}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 4    and name HE21))
 ASSI { 3219}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 71   and name HN  ))
      4.000     2.000     2.000 peak  3219 spectrum    1 weight  0.10000E+01 volume  0.34664E-03 ppm1      3.386 ppm2      8.352 CV     1
 OR { 3219}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
 OR { 3219}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
 OR { 3219}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
 ASSI { 3222}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 73   and name HN  ))
      3.700     1.700     1.700 peak  3222 spectrum    1 weight  0.10000E+01 volume  0.47162E-03 ppm1      3.384 ppm2      8.638 CV     1
 OR { 3222}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 68   and name HN  ))
 ASSI { 3224}
   (( segid "    " and resid 69   and name HB  ))
   (( segid "    " and resid 30   and name HN  ))
      3.400     1.500     1.500 peak  3224 spectrum    1 weight  0.10000E+01 volume  0.74204E-03 ppm1      2.281 ppm2      7.495 CV     1
 OR { 3224}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 26   and name HN  ))
 OR { 3224}
   (( segid "    " and resid 43   and name HG2 ))
   (( segid "    " and resid 62   and name HN  ))
 OR { 3224}
   (( segid "    " and resid 43   and name HG1 ))
   (( segid "    " and resid 62   and name HN  ))
 ASSI { 3228}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 11   and name HN  ))
      4.900     3.000     1.100 peak  3228 spectrum    1 weight  0.10000E+01 volume  0.63460E-04 ppm1      0.448 ppm2      9.198 CV     1
 OR { 3228}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 4    and name HN  ))
 ASSI { 3229}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 29   and name HN  ))
      5.300     3.400     0.700 peak  3229 spectrum    1 weight  0.10000E+01 volume  0.25241E-03 ppm1      0.442 ppm2      8.357 CV     1
 OR { 3229}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 71   and name HN  ))
 OR { 3229}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 8    and name HN  ))
 ASSI { 3233}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 73   and name HN  ))
      4.300     2.300     1.700 peak  3233 spectrum    1 weight  0.10000E+01 volume  0.68942E-03 ppm1      0.648 ppm2      8.643 CV     1
 OR { 3233}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 68   and name HN  ))
 OR { 3233}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 60   and name HN  ))
 ASSI { 3234}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 28   and name HN  ))
      4.500     2.500     1.500 peak  3234 spectrum    1 weight  0.10000E+01 volume  0.36675E-03 ppm1      0.654 ppm2      8.474 CV     1
 OR { 3234}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 19   and name HN  ))
 ASSI { 3235}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 71   and name HN  ))
      4.700     2.700     1.300 peak  3235 spectrum    1 weight  0.10000E+01 volume  0.50570E-03 ppm1      0.652 ppm2      8.374 CV     1
 OR { 3235}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 29   and name HN  ))
 OR { 3235}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 43   and name HN  ))
 OR { 3235}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 10   and name HN  ))
 ASSI { 3236}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 12   and name HN  ))
      3.600     1.600     1.600 peak  3236 spectrum    1 weight  0.10000E+01 volume  0.20431E-03 ppm1      0.646 ppm2      8.919 CV     1
 OR { 3236}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 12   and name HN  ))
 ASSI { 3238}
   (( segid "    " and resid 70   and name HA1 ))
   (( segid "    " and resid 71   and name HA  ))
      4.400     2.500     1.600 peak  3238 spectrum    1 weight  0.10000E+01 volume  0.25830E-03 ppm1      4.017 ppm2      4.493 CV     1
 OR { 3238}
   (( segid "    " and resid 70   and name HA1 ))
   (( segid "    " and resid 29   and name HA  ))
 OR { 3238}
   (( segid "    " and resid 70   and name HA1 ))
   (( segid "    " and resid 66   and name HA  ))
 ASSI { 3239}
   (( segid "    " and resid 70   and name HA2 ))
   (( segid "    " and resid 71   and name HA  ))
      5.800     4.300     0.200 peak  3239 spectrum    1 weight  0.10000E+01 volume  0.69024E-04 ppm1      3.810 ppm2      4.491 CV     1
 OR { 3239}
   (( segid "    " and resid 70   and name HA2 ))
   (( segid "    " and resid 66   and name HA  ))
 ASSI { 3246}
   (( segid "    " and resid 70   and name HA2 ))
   (( segid "    " and resid 73   and name HA  ))
      3.800     1.800     1.800 peak  3246 spectrum    1 weight  0.10000E+01 volume  0.17447E-02 ppm1      3.794 ppm2      3.656 CV     1
 OR { 3246}
   (( segid "    " and resid 70   and name HA2 ))
   (( segid "    " and resid 4    and name HA  ))
 ASSI { 3250}
   (( segid "    " and resid 70   and name HA2 ))
   (( segid "    " and resid 69   and name HB  ))
      4.800     2.900     1.200 peak  3250 spectrum    1 weight  0.10000E+01 volume  0.38853E-03 ppm1      3.799 ppm2      2.280 CV     1
 OR { 3250}
   (( segid "    " and resid 70   and name HA2 ))
   (( segid "    " and resid 4    and name HG1 ))
 ASSI { 3252}
   (( segid "    " and resid 70   and name HA2 ))
   (( segid "    " and resid 28   and name HB1 ))
      4.600     2.600     1.400 peak  3252 spectrum    1 weight  0.10000E+01 volume  0.58335E-03 ppm1      3.800 ppm2      1.749 CV     1
 OR { 3252}
   (( segid "    " and resid 70   and name HA2 ))
   (( segid "    " and resid 28   and name HG  ))
 OR { 3252}
   (( segid "    " and resid 70   and name HA2 ))
   (( segid "    " and resid 7    and name HB  ))
 ASSI { 3255}
   (( segid "    " and resid 70   and name HA1 ))
   (  segid "    " and resid 73   and name HG2%)
      4.900     3.100     1.100 peak  3255 spectrum    1 weight  0.10000E+01 volume  0.59176E-03 ppm1      4.008 ppm2      1.092 CV     1
 OR { 3255}
   (( segid "    " and resid 70   and name HA1 ))
   (  segid "    " and resid 8    and name HG2%)
 OR { 3255}
   (( segid "    " and resid 70   and name HA1 ))
   (  segid "    " and resid 68   and name HG2%)
 ASSI { 3259}
   (( segid "    " and resid 70   and name HA1 ))
   (  segid "    " and resid 69   and name HG2%)
      3.900     1.900     1.900 peak  3259 spectrum    1 weight  0.10000E+01 volume  0.63063E-03 ppm1      4.018 ppm2      0.637 CV     1
 OR { 3259}
   (( segid "    " and resid 70   and name HA1 ))
   (  segid "    " and resid 66   and name HD2%)
 OR { 3259}
   (( segid "    " and resid 70   and name HA1 ))
   (  segid "    " and resid 76   and name HD1%)
 OR { 3259}
   (( segid "    " and resid 70   and name HA1 ))
   (  segid "    " and resid 40   and name H6% )
 ASSI { 3262}
   (( segid "    " and resid 70   and name HA2 ))
   (  segid "    " and resid 69   and name HG2%)
      3.800     1.800     1.800 peak  3262 spectrum    1 weight  0.10000E+01 volume  0.64561E-03 ppm1      3.790 ppm2      0.636 CV     1
 OR { 3262}
   (( segid "    " and resid 70   and name HA2 ))
   (  segid "    " and resid 66   and name HD2%)
 OR { 3262}
   (( segid "    " and resid 70   and name HA2 ))
   (  segid "    " and resid 76   and name HD1%)
 OR { 3262}
   (( segid "    " and resid 70   and name HA2 ))
   (  segid "    " and resid 40   and name H6% )
 ASSI { 3267}
   (( segid "    " and resid 70   and name HA1 ))
   (( segid "    " and resid 73   and name HN  ))
      4.500     2.600     1.500 peak  3267 spectrum    1 weight  0.10000E+01 volume  0.57865E-03 ppm1      4.008 ppm2      8.647 CV     1
 OR { 3267}
   (( segid "    " and resid 70   and name HA1 ))
   (( segid "    " and resid 68   and name HN  ))
 ASSI { 3270}
   (( segid "    " and resid 70   and name HA1 ))
   (( segid "    " and resid 69   and name HN  ))
      5.000     3.100     1.000 peak  3270 spectrum    1 weight  0.10000E+01 volume  0.29606E-03 ppm1      4.016 ppm2      8.144 CV     1
 OR { 3270}
   (( segid "    " and resid 70   and name HA1 ))
   (( segid "    " and resid 72   and name HN  ))
 ASSI { 3274}
   (( segid "    " and resid 70   and name HA2 ))
   (( segid "    " and resid 72   and name HN  ))
      4.700     2.700     1.300 peak  3274 spectrum    1 weight  0.10000E+01 volume  0.36359E-03 ppm1      3.799 ppm2      8.176 CV     1
 OR { 3274}
   (( segid "    " and resid 70   and name HA2 ))
   (( segid "    " and resid 69   and name HN  ))
 ASSI { 3279}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 68   and name HN  ))
      2.800     1.000     1.000 peak  3279 spectrum    1 weight  0.10000E+01 volume  0.19618E-02 ppm1      2.927 ppm2      8.600 CV     1
 OR { 3279}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 73   and name HN  ))
 ASSI { 3281}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 72   and name HN  ))
      3.200     1.300     1.300 peak  3281 spectrum    1 weight  0.10000E+01 volume  0.28716E-02 ppm1      2.926 ppm2      8.195 CV     1
 OR { 3281}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 67   and name HN  ))
 ASSI { 3282}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 68   and name HN  ))
      2.800     1.000     1.000 peak  3282 spectrum    1 weight  0.10000E+01 volume  0.25652E-02 ppm1      3.120 ppm2      8.599 CV     1
 OR { 3282}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 73   and name HN  ))
 ASSI { 3283}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 72   and name HN  ))
      3.300     1.400     1.400 peak  3283 spectrum    1 weight  0.10000E+01 volume  0.16409E-02 ppm1      4.508 ppm2      8.179 CV     1
 OR { 3283}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 69   and name HN  ))
 ASSI { 3286}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 66   and name HA  ))
      2.100     0.500     0.500 peak  3286 spectrum    1 weight  0.10000E+01 volume  0.46386E-02 ppm1      3.119 ppm2      4.494 CV     1
 OR { 3286}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 71   and name HA  ))
 ASSI { 3287}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 71   and name HA  ))
      2.500     0.800     0.800 peak  3287 spectrum    1 weight  0.10000E+01 volume  0.66502E-02 ppm1      2.926 ppm2      4.496 CV     1
 OR { 3287}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 66   and name HA  ))
 ASSI { 3288}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HB1 ))
      2.700     0.900     0.900 peak  3288 spectrum    1 weight  0.10000E+01 volume  0.37166E-02 ppm1      4.506 ppm2      3.119 CV     1
 OR { 3288}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 75   and name HB1 ))
 ASSI { 3292}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 67   and name HB2 ))
      4.100     2.100     1.900 peak  3292 spectrum    1 weight  0.10000E+01 volume  0.49652E-03 ppm1      3.119 ppm2      2.055 CV     1
 OR { 3292}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 23   and name HB  ))
 OR { 3292}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 67   and name HB1 ))
 OR { 3292}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 43   and name HB1 ))
 OR { 3292}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 14   and name HB  ))
 ASSI { 3293}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 67   and name HB2 ))
      4.200     2.200     1.800 peak  3293 spectrum    1 weight  0.10000E+01 volume  0.16777E-03 ppm1      2.919 ppm2      2.043 CV     1
 OR { 3293}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 67   and name HB1 ))
 OR { 3293}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 76   and name HG11))
 ASSI { 3294}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 66   and name HG  ))
      5.900     4.400     0.100 peak  3294 spectrum    1 weight  0.10000E+01 volume  0.17656E-03 ppm1      2.924 ppm2      1.764 CV     1
 OR { 3294}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 74   and name HD1 ))
 ASSI { 3297}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 41   and name HB2 ))
      4.100     2.100     1.900 peak  3297 spectrum    1 weight  0.10000E+01 volume  0.54247E-03 ppm1      3.120 ppm2      1.597 CV     1
 OR { 3297}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 72   and name HB% )
 OR { 3297}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 21   and name HB  ))
 ASSI { 3299}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 66   and name HD2%)
      3.100     1.200     1.200 peak  3299 spectrum    1 weight  0.10000E+01 volume  0.16222E-02 ppm1      3.121 ppm2      0.602 CV     1
 OR { 3299}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 40   and name H6% )
 ASSI { 3301}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 66   and name HB2 ))
      6.000     6.000     0.000 peak  3301 spectrum    1 weight  0.10000E+01 volume  0.13066E-03 ppm1      2.929 ppm2      0.956 CV     1
 OR { 3301}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 63   and name HG2%)
 ASSI { 3302}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 66   and name HD2%)
      3.500     1.500     1.500 peak  3302 spectrum    1 weight  0.10000E+01 volume  0.12014E-02 ppm1      4.503 ppm2      0.595 CV     1
 OR { 3302}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 76   and name HD1%)
 ASSI { 3306}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 76   and name HN  ))
      4.400     2.400     1.600 peak  3306 spectrum    1 weight  0.10000E+01 volume  0.41223E-03 ppm1      1.593 ppm2      8.528 CV     1
 OR { 3306}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 77   and name HN  ))
 ASSI { 3313}
   (  segid "    " and resid 72   and name HB% )
   (  segid "    " and resid 75   and name HD% )
      3.100     1.200     1.200 peak  3313 spectrum    1 weight  0.10000E+01 volume  0.33792E-02 ppm1      1.591 ppm2      6.850 CV     1
 OR { 3313}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 32   and name HZ  ))
 ASSI { 3316}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
      3.500     1.500     1.500 peak  3316 spectrum    1 weight  0.10000E+01 volume  0.69280E-03 ppm1      4.116 ppm2      8.517 CV     1
 OR { 3316}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 77   and name HN  ))
 ASSI { 3322}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 66   and name HN  ))
      5.900     4.400     0.100 peak  3322 spectrum    1 weight  0.10000E+01 volume  0.26343E-04 ppm1      4.115 ppm2      7.706 CV     1
 OR { 3322}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 79   and name HN  ))
 OR { 3322}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 80   and name HE22))
 ASSI { 3324}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 32   and name HE% )
      5.200     3.400     0.800 peak  3324 spectrum    1 weight  0.10000E+01 volume  0.24017E-03 ppm1      4.122 ppm2      6.987 CV     1
 OR { 3324}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 79   and name HD2 ))
 ASSI { 3325}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 66   and name HA  ))
      3.800     1.800     1.800 peak  3325 spectrum    1 weight  0.10000E+01 volume  0.69700E-03 ppm1      1.589 ppm2      4.484 CV     1
 OR { 3325}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 71   and name HA  ))
 OR { 3325}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 58   and name HA  ))
 ASSI { 3328}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 73   and name HB  ))
      4.100     2.100     1.900 peak  3328 spectrum    1 weight  0.10000E+01 volume  0.86368E-03 ppm1      1.592 ppm2      4.225 CV     1
 OR { 3328}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 75   and name HA  ))
 ASSI { 3331}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 69   and name HA  ))
      2.600     0.800     0.800 peak  3331 spectrum    1 weight  0.10000E+01 volume  0.25021E-02 ppm1      1.591 ppm2      3.383 CV     1
 OR { 3331}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 8    and name HA  ))
 ASSI { 3332}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 71   and name HB1 ))
      4.000     2.000     2.000 peak  3332 spectrum    1 weight  0.10000E+01 volume  0.89762E-03 ppm1      1.593 ppm2      3.123 CV     1
 OR { 3332}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 75   and name HB1 ))
 OR { 3332}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 75   and name HB2 ))
 ASSI { 3337}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 69   and name HA  ))
      5.000     3.200     1.000 peak  3337 spectrum    1 weight  0.10000E+01 volume  0.17739E-03 ppm1      4.110 ppm2      3.370 CV     1
 OR { 3337}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 8    and name HA  ))
 ASSI { 3339}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 76   and name HG11))
      3.800     1.800     1.800 peak  3339 spectrum    1 weight  0.10000E+01 volume  0.31365E-03 ppm1      4.114 ppm2      1.995 CV     1
 OR { 3339}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 74   and name HB1 ))
 OR { 3339}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 11   and name HG  ))
 ASSI { 3340}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 66   and name HG  ))
      4.400     2.400     1.600 peak  3340 spectrum    1 weight  0.10000E+01 volume  0.78488E-03 ppm1      4.118 ppm2      1.787 CV     1
 OR { 3340}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 76   and name HB  ))
 ASSI { 3341}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 40   and name H2B ))
      3.900     1.900     1.900 peak  3341 spectrum    1 weight  0.10000E+01 volume  0.70545E-03 ppm1      1.593 ppm2      2.265 CV     1
 OR { 3341}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 69   and name HB  ))
 ASSI { 3344}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 76   and name HG11))
      3.900     1.900     1.900 peak  3344 spectrum    1 weight  0.10000E+01 volume  0.57390E-03 ppm1      1.590 ppm2      2.016 CV     1
 OR { 3344}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 11   and name HG  ))
 OR { 3344}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 74   and name HB1 ))
 ASSI { 3345}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 66   and name HB2 ))
      3.700     1.700     1.700 peak  3345 spectrum    1 weight  0.10000E+01 volume  0.16842E-02 ppm1      4.115 ppm2      0.964 CV     1
 OR { 3345}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 40   and name H5A ))
 OR { 3345}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 40   and name H5B ))
 ASSI { 3346}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 40   and name H4B ))
      4.200     2.200     1.800 peak  3346 spectrum    1 weight  0.10000E+01 volume  0.88620E-03 ppm1      4.119 ppm2      0.865 CV     1
 OR { 3346}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 11   and name HD1%)
 OR { 3346}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 40   and name H4A ))
 OR { 3346}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 58   and name HG12))
 OR { 3346}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 63   and name HG2%)
 OR { 3346}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 76   and name HG12))
 ASSI { 3348}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 66   and name HD2%)
      2.200     0.600     0.600 peak  3348 spectrum    1 weight  0.10000E+01 volume  0.55193E-02 ppm1      4.114 ppm2      0.601 CV     1
 OR { 3348}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 76   and name HD1%)
 OR { 3348}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 40   and name H6% )
 ASSI { 3361}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      5.100     3.200     0.900 peak  3361 spectrum    1 weight  0.10000E+01 volume  0.36406E-03 ppm1      3.685 ppm2      8.384 CV     1
 OR { 3361}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
 OR { 3361}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 71   and name HN  ))
 ASSI { 3373}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 76   and name HB  ))
      2.700     0.900     0.900 peak  3373 spectrum    1 weight  0.10000E+01 volume  0.26291E-02 ppm1      3.678 ppm2      1.777 CV     1
 OR { 3373}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 7    and name HB  ))
 OR { 3373}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 77   and name HB1 ))
 ASSI { 3375}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 11   and name HD1%)
      3.500     1.500     1.500 peak  3375 spectrum    1 weight  0.10000E+01 volume  0.20445E-02 ppm1      3.676 ppm2      0.851 CV     1
 OR { 3375}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 77   and name HD2%)
 OR { 3375}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 11   and name HD2%)
 OR { 3375}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 77   and name HD1%)
 OR { 3375}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 58   and name HG12))
 ASSI { 3376}
   (( segid "    " and resid 73   and name HB  ))
   (  segid "    " and resid 28   and name HD1%)
      3.800     1.800     1.800 peak  3376 spectrum    1 weight  0.10000E+01 volume  0.21061E-02 ppm1      4.188 ppm2      0.812 CV     1
 OR { 3376}
   (( segid "    " and resid 73   and name HB  ))
   (  segid "    " and resid 11   and name HD1%)
 OR { 3376}
   (( segid "    " and resid 73   and name HB  ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI { 3381}
   (( segid "    " and resid 73   and name HB  ))
   (  segid "    " and resid 72   and name HB% )
      5.100     3.300     0.900 peak  3381 spectrum    1 weight  0.10000E+01 volume  0.34059E-03 ppm1      4.183 ppm2      1.586 CV     1
 OR { 3381}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 7    and name HG11))
 OR { 3381}
   (( segid "    " and resid 73   and name HB  ))
   (  segid "    " and resid 2    and name HB% )
 ASSI { 3382}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 76   and name HG11))
      4.200     2.200     1.800 peak  3382 spectrum    1 weight  0.10000E+01 volume  0.69531E-03 ppm1      3.678 ppm2      1.987 CV     1
 OR { 3382}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 74   and name HB1 ))
 OR { 3382}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 11   and name HG  ))
 ASSI { 3383}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 72   and name HB% )
      4.000     2.000     2.000 peak  3383 spectrum    1 weight  0.10000E+01 volume  0.90748E-03 ppm1      3.679 ppm2      1.594 CV     1
 OR { 3383}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 7    and name HG11))
 OR { 3383}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 2    and name HB% )
 ASSI { 3384}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 7    and name HG2%)
      2.100     0.500     0.500 peak  3384 spectrum    1 weight  0.10000E+01 volume  0.91867E-02 ppm1      3.678 ppm2      0.562 CV     1
 OR { 3384}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 7    and name HD1%)
 OR { 3384}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 76   and name HG2%)
 ASSI { 3385}
   (( segid "    " and resid 73   and name HB  ))
   (  segid "    " and resid 76   and name HD1%)
      4.500     2.500     1.500 peak  3385 spectrum    1 weight  0.10000E+01 volume  0.51155E-03 ppm1      4.193 ppm2      0.653 CV     1
 OR { 3385}
   (( segid "    " and resid 73   and name HB  ))
   (  segid "    " and resid 40   and name H6% )
 ASSI { 3386}
   (( segid "    " and resid 73   and name HB  ))
   (  segid "    " and resid 7    and name HD1%)
      6.000     5.200     0.000 peak  3386 spectrum    1 weight  0.10000E+01 volume  0.84143E-04 ppm1      4.187 ppm2      0.564 CV     1
 OR { 3386}
   (( segid "    " and resid 73   and name HB  ))
   (  segid "    " and resid 7    and name HG2%)
 OR { 3386}
   (( segid "    " and resid 73   and name HB  ))
   (  segid "    " and resid 76   and name HD1%)
 OR { 3386}
   (( segid "    " and resid 73   and name HB  ))
   (  segid "    " and resid 76   and name HG2%)
 ASSI { 3393}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 73   and name HB  ))
      4.400     2.400     1.600 peak  3393 spectrum    1 weight  0.10000E+01 volume  0.33034E-03 ppm1      1.973 ppm2      4.201 CV     1
 OR { 3393}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 60   and name HA  ))
 OR { 3393}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 75   and name HA  ))
 ASSI { 3395}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 71   and name HA  ))
      3.300     1.400     1.400 peak  3395 spectrum    1 weight  0.10000E+01 volume  0.11202E-02 ppm1      1.979 ppm2      4.502 CV     1
 OR { 3395}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 58   and name HA  ))
 ASSI { 3396}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 71   and name HA  ))
      3.000     1.100     1.100 peak  3396 spectrum    1 weight  0.10000E+01 volume  0.15720E-02 ppm1      1.905 ppm2      4.504 CV     1
 OR { 3396}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 58   and name HA  ))
 ASSI { 3402}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HD1 ))
      2.300     0.700     0.700 peak  3402 spectrum    1 weight  0.10000E+01 volume  0.46998E-02 ppm1      3.943 ppm2      1.769 CV     1
 OR { 3402}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 77   and name HB1 ))
 ASSI { 3403}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HD2 ))
      3.400     1.500     1.500 peak  3403 spectrum    1 weight  0.10000E+01 volume  0.27470E-02 ppm1      3.943 ppm2      1.673 CV     1
 OR { 3403}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 77   and name HB2 ))
 OR { 3403}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 18   and name HG11))
 ASSI { 3404}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 73   and name HG2%)
      3.400     1.400     1.400 peak  3404 spectrum    1 weight  0.10000E+01 volume  0.10680E-02 ppm1      3.944 ppm2      1.109 CV     1
 OR { 3404}
   (( segid "    " and resid 17   and name HA  ))
   (  segid "    " and resid 14   and name HG2%)
 ASSI { 3405}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 7    and name HD1%)
      4.400     2.400     1.600 peak  3405 spectrum    1 weight  0.10000E+01 volume  0.55622E-03 ppm1      3.936 ppm2      0.533 CV     1
 OR { 3405}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 7    and name HG2%)
 OR { 3405}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 76   and name HG2%)
 ASSI { 3406}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 77   and name HD1%)
      3.100     1.200     1.200 peak  3406 spectrum    1 weight  0.10000E+01 volume  0.40326E-02 ppm1      3.941 ppm2      0.820 CV     1
 OR { 3406}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 77   and name HD2%)
 OR { 3406}
   (( segid "    " and resid 17   and name HA  ))
   (  segid "    " and resid 18   and name HD1%)
 OR { 3406}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 28   and name HD1%)
 ASSI { 3408}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 73   and name HA  ))
      4.100     2.100     1.900 peak  3408 spectrum    1 weight  0.10000E+01 volume  0.39616E-03 ppm1      3.934 ppm2      3.664 CV     1
 OR { 3408}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 4    and name HA  ))
 ASSI { 3410}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 73   and name HB  ))
      3.500     1.600     1.600 peak  3410 spectrum    1 weight  0.10000E+01 volume  0.91625E-03 ppm1      3.951 ppm2      4.205 CV     1
 OR { 3410}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 75   and name HA  ))
 ASSI { 3413}
   (( segid "    " and resid 63   and name HB  ))
   (( segid "    " and resid 60   and name HN  ))
      5.500     3.800     0.500 peak  3413 spectrum    1 weight  0.10000E+01 volume  0.16403E-03 ppm1      1.983 ppm2      8.630 CV     1
 OR { 3413}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 73   and name HN  ))
 OR { 3413}
   (( segid "    " and resid 63   and name HB  ))
   (( segid "    " and resid 61   and name HN  ))
 ASSI { 3414}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 74   and name HD2 ))
      4.500     2.500     1.500 peak  3414 spectrum    1 weight  0.10000E+01 volume  0.85198E-03 ppm1      1.975 ppm2      1.659 CV     1
 OR { 3414}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 77   and name HB2 ))
 OR { 3414}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 58   and name HB  ))
 OR { 3414}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 57   and name HB1 ))
 ASSI { 3415}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 74   and name HD2 ))
      4.100     2.100     1.900 peak  3415 spectrum    1 weight  0.10000E+01 volume  0.84043E-03 ppm1      1.911 ppm2      1.660 CV     1
 OR { 3415}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 58   and name HB  ))
 OR { 3415}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 77   and name HB2 ))
 OR { 3415}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 57   and name HB1 ))
 ASSI { 3430}
   (( segid "    " and resid 74   and name HD2 ))
   (( segid "    " and resid 74   and name HN  ))
      5.600     3.900     0.400 peak  3430 spectrum    1 weight  0.10000E+01 volume  0.26258E-03 ppm1      1.666 ppm2      8.043 CV     1
 OR { 3430}
   (( segid "    " and resid 18   and name HG11))
   (( segid "    " and resid 46   and name HN  ))
 OR { 3430}
   (( segid "    " and resid 64   and name HD1 ))
   (( segid "    " and resid 40   and name H36A))
 OR { 3430}
   (( segid "    " and resid 64   and name HD2 ))
   (( segid "    " and resid 40   and name H36A))
 ASSI { 3431}
   (( segid "    " and resid 74   and name HD1 ))
   (( segid "    " and resid 74   and name HG2 ))
      2.200     0.600     0.600 peak  3431 spectrum    1 weight  0.10000E+01 volume  0.12687E-01 ppm1      1.773 ppm2      1.469 CV     1
 OR { 3431}
   (( segid "    " and resid 67   and name HD2 ))
   (( segid "    " and resid 67   and name HG2 ))
 OR { 3431}
   (( segid "    " and resid 67   and name HD1 ))
   (( segid "    " and resid 67   and name HG2 ))
 OR { 3431}
   (( segid "    " and resid 74   and name HD1 ))
   (( segid "    " and resid 74   and name HG1 ))
 ASSI { 3433}
   (( segid "    " and resid 74   and name HD1 ))
   (  segid "    " and resid 7    and name HD1%)
      4.700     2.800     1.300 peak  3433 spectrum    1 weight  0.10000E+01 volume  0.28937E-03 ppm1      1.781 ppm2      0.540 CV     1
 OR { 3433}
   (( segid "    " and resid 74   and name HD1 ))
   (  segid "    " and resid 7    and name HG2%)
 OR { 3433}
   (( segid "    " and resid 74   and name HD1 ))
   (  segid "    " and resid 76   and name HG2%)
 ASSI { 3439}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 76   and name HN  ))
      2.800     1.000     1.000 peak  3439 spectrum    1 weight  0.10000E+01 volume  0.19783E-02 ppm1      3.146 ppm2      8.509 CV     1
 OR { 3439}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 76   and name HN  ))
 OR { 3439}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 77   and name HN  ))
 ASSI { 3443}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
      3.300     1.400     1.400 peak  3443 spectrum    1 weight  0.10000E+01 volume  0.14153E-02 ppm1      4.224 ppm2      8.510 CV     1
 OR { 3443}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 77   and name HN  ))
 ASSI { 3445}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 79   and name HN  ))
      4.800     2.900     1.200 peak  3445 spectrum    1 weight  0.10000E+01 volume  0.31541E-03 ppm1      3.152 ppm2      7.751 CV     1
 OR { 3445}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 35   and name HN  ))
 OR { 3445}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 35   and name HN  ))
 OR { 3445}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 80   and name HE22))
 ASSI { 3458}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 76   and name HG11))
      3.800     1.800     1.800 peak  3458 spectrum    1 weight  0.10000E+01 volume  0.48601E-03 ppm1      3.093 ppm2      1.977 CV     1
 OR { 3458}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 76   and name HG11))
 OR { 3458}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 74   and name HB1 ))
 OR { 3458}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 74   and name HB1 ))
 ASSI { 3459}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 78   and name HB1 ))
      3.000     1.100     1.100 peak  3459 spectrum    1 weight  0.10000E+01 volume  0.20295E-02 ppm1      4.223 ppm2      2.531 CV     1
 OR { 3459}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 79   and name HB2 ))
 ASSI { 3461}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 76   and name HG11))
      3.900     1.900     1.900 peak  3461 spectrum    1 weight  0.10000E+01 volume  0.61944E-03 ppm1      4.222 ppm2      1.977 CV     1
 OR { 3461}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 74   and name HB1 ))
 ASSI { 3463}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 77   and name HB1 ))
      4.700     2.700     1.300 peak  3463 spectrum    1 weight  0.10000E+01 volume  0.42966E-03 ppm1      4.225 ppm2      1.780 CV     1
 OR { 3463}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 76   and name HB  ))
 OR { 3463}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 74   and name HD1 ))
 OR { 3463}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 66   and name HG  ))
 ASSI { 3465}
   (( segid "    " and resid 75   and name HB2 ))
   (  segid "    " and resid 66   and name HD2%)
      2.600     0.900     0.900 peak  3465 spectrum    1 weight  0.10000E+01 volume  0.30276E-02 ppm1      3.100 ppm2      0.601 CV     1
 OR { 3465}
   (( segid "    " and resid 75   and name HB1 ))
   (  segid "    " and resid 66   and name HD2%)
 OR { 3465}
   (( segid "    " and resid 65   and name HB1 ))
   (  segid "    " and resid 66   and name HD2%)
 OR { 3465}
   (( segid "    " and resid 75   and name HB1 ))
   (  segid "    " and resid 76   and name HD1%)
 OR { 3465}
   (( segid "    " and resid 75   and name HB2 ))
   (  segid "    " and resid 76   and name HD1%)
 ASSI { 3468}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 66   and name HD2%)
      4.500     2.500     1.500 peak  3468 spectrum    1 weight  0.10000E+01 volume  0.11245E-02 ppm1      4.221 ppm2      0.599 CV     1
 OR { 3468}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 76   and name HD1%)
 OR { 3468}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 58   and name HD1%)
 ASSI { 3470}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
      2.500     0.800     0.800 peak  3470 spectrum    1 weight  0.10000E+01 volume  0.39524E-02 ppm1      3.503 ppm2      8.505 CV     1
 OR { 3470}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 77   and name HN  ))
 ASSI { 3471}
   (( segid "    " and resid 76   and name HB  ))
   (( segid "    " and resid 75   and name HN  ))
      4.900     3.000     1.100 peak  3471 spectrum    1 weight  0.10000E+01 volume  0.28603E-03 ppm1      1.778 ppm2      7.943 CV     1
 OR { 3471}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 75   and name HN  ))
 ASSI { 3472}
   (( segid "    " and resid 76   and name HB  ))
   (  segid "    " and resid 75   and name HD% )
      5.200     3.400     0.800 peak  3472 spectrum    1 weight  0.10000E+01 volume  0.25439E-03 ppm1      1.801 ppm2      6.829 CV     1
 OR { 3472}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 4    and name HE21))
 ASSI { 3477}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 79   and name HN  ))
      3.600     1.600     1.600 peak  3477 spectrum    1 weight  0.10000E+01 volume  0.10076E-02 ppm1      3.502 ppm2      7.713 CV     1
 OR { 3477}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 80   and name HE22))
 ASSI { 3482}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 77   and name HA  ))
      4.400     2.400     1.600 peak  3482 spectrum    1 weight  0.10000E+01 volume  0.37097E-03 ppm1      3.507 ppm2      3.879 CV     1
 OR { 3482}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 7    and name HA  ))
 ASSI { 3484}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 79   and name HB2 ))
      3.400     1.400     1.400 peak  3484 spectrum    1 weight  0.10000E+01 volume  0.61862E-03 ppm1      3.514 ppm2      2.547 CV     1
 OR { 3484}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 80   and name HG2 ))
 ASSI { 3487}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HG11))
      2.500     0.800     0.800 peak  3487 spectrum    1 weight  0.10000E+01 volume  0.40006E-02 ppm1      3.504 ppm2      1.995 CV     1
 OR { 3487}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 56   and name HB  ))
 ASSI { 3488}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HB  ))
      2.600     0.900     0.900 peak  3488 spectrum    1 weight  0.10000E+01 volume  0.27889E-02 ppm1      3.504 ppm2      1.782 CV     1
 OR { 3488}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 77   and name HB1 ))
 ASSI { 3489}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 77   and name HB2 ))
      5.900     4.300     0.100 peak  3489 spectrum    1 weight  0.10000E+01 volume  0.15736E-03 ppm1      3.508 ppm2      1.651 CV     1
 OR { 3489}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 58   and name HB  ))
 OR { 3489}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 77   and name HG  ))
 ASSI { 3491}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 72   and name HB% )
      5.400     3.700     0.600 peak  3491 spectrum    1 weight  0.10000E+01 volume  0.29313E-03 ppm1      3.507 ppm2      1.585 CV     1
 OR { 3491}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 2    and name HB% )
 OR { 3491}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 7    and name HG11))
 OR { 3491}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 77   and name HG  ))
 ASSI { 3492}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 56   and name HG1%)
      2.200     0.600     0.600 peak  3492 spectrum    1 weight  0.10000E+01 volume  0.67256E-02 ppm1      3.504 ppm2      0.926 CV     1
 OR { 3492}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HG12))
 ASSI { 3494}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 76   and name HG2%)
      2.400     0.700     0.700 peak  3494 spectrum    1 weight  0.10000E+01 volume  0.67832E-02 ppm1      3.504 ppm2      0.534 CV     1
 OR { 3494}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 58   and name HD1%)
 OR { 3494}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 7    and name HD1%)
 ASSI { 3495}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 76   and name HD1%)
      3.600     1.600     1.600 peak  3495 spectrum    1 weight  0.10000E+01 volume  0.25487E-02 ppm1      3.503 ppm2      0.614 CV     1
 OR { 3495}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 58   and name HD1%)
 ASSI { 3498}
   (( segid "    " and resid 76   and name HB  ))
   (  segid "    " and resid 66   and name HD1%)
      4.800     2.900     1.200 peak  3498 spectrum    1 weight  0.10000E+01 volume  0.29405E-03 ppm1      1.783 ppm2      0.407 CV     1
 OR { 3498}
   (( segid "    " and resid 7    and name HB  ))
   (  segid "    " and resid 69   and name HG1%)
 ASSI { 3506}
   (( segid "    " and resid 76   and name HG12))
   (( segid "    " and resid 76   and name HG11))
      1.500     0.300     0.700 peak  3506 spectrum    1 weight  0.10000E+01 volume  0.10637E-01 ppm1      0.914 ppm2      1.996 CV     1
 OR { 3506}
   (( segid "    " and resid 76   and name HG12))
   (( segid "    " and resid 56   and name HB  ))
 ASSI { 3507}
   (( segid "    " and resid 76   and name HG11))
   (( segid "    " and resid 76   and name HB  ))
      2.400     0.700     0.700 peak  3507 spectrum    1 weight  0.10000E+01 volume  0.23346E-02 ppm1      1.995 ppm2      1.785 CV     1
 OR { 3507}
   (( segid "    " and resid 76   and name HG11))
   (( segid "    " and resid 77   and name HB1 ))
 ASSI { 3508}
   (( segid "    " and resid 76   and name HG11))
   (  segid "    " and resid 76   and name HD1%)
      2.300     0.700     0.700 peak  3508 spectrum    1 weight  0.10000E+01 volume  0.63981E-02 ppm1      1.997 ppm2      0.613 CV     1
 OR { 3508}
   (( segid "    " and resid 76   and name HG11))
   (  segid "    " and resid 58   and name HD1%)
 OR { 3508}
   (( segid "    " and resid 76   and name HG11))
   (  segid "    " and resid 7    and name HG2%)
 ASSI { 3509}
   (( segid "    " and resid 76   and name HG11))
   (( segid "    " and resid 76   and name HG12))
      1.500     0.300     0.700 peak  3509 spectrum    1 weight  0.10000E+01 volume  0.12351E-01 ppm1      1.997 ppm2      0.915 CV     1
 OR { 3509}
   (( segid "    " and resid 76   and name HG11))
   (  segid "    " and resid 56   and name HG1%)
 ASSI { 3510}
   (( segid "    " and resid 76   and name HG12))
   (  segid "    " and resid 58   and name HD1%)
      2.100     0.500     0.500 peak  3510 spectrum    1 weight  0.10000E+01 volume  0.57568E-02 ppm1      0.917 ppm2      0.618 CV     1
 OR { 3510}
   (( segid "    " and resid 76   and name HG12))
   (  segid "    " and resid 76   and name HD1%)
 ASSI { 3522}
   (( segid "    " and resid 76   and name HG12))
   (( segid "    " and resid 76   and name HN  ))
      3.600     1.600     1.600 peak  3522 spectrum    1 weight  0.10000E+01 volume  0.18590E-02 ppm1      0.916 ppm2      8.510 CV     1
 OR { 3522}
   (( segid "    " and resid 76   and name HG12))
   (( segid "    " and resid 77   and name HN  ))
 ASSI { 3524}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 76   and name HG12))
      3.100     1.200     1.200 peak  3524 spectrum    1 weight  0.10000E+01 volume  0.94110E-03 ppm1      0.535 ppm2      0.942 CV     1
 OR { 3524}
   (  segid "    " and resid 76   and name HG2%)
   (  segid "    " and resid 56   and name HG1%)
 OR { 3524}
   (  segid "    " and resid 76   and name HG2%)
   (  segid "    " and resid 56   and name HG2%)
 ASSI { 3525}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 76   and name HG12))
      2.900     1.100     1.100 peak  3525 spectrum    1 weight  0.10000E+01 volume  0.12554E-02 ppm1      0.536 ppm2      0.897 CV     1
 OR { 3525}
   (  segid "    " and resid 76   and name HG2%)
   (  segid "    " and resid 56   and name HG1%)
 OR { 3525}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 58   and name HG12))
 OR { 3525}
   (  segid "    " and resid 76   and name HG2%)
   (  segid "    " and resid 11   and name HD1%)
 ASSI { 3526}
   (  segid "    " and resid 76   and name HD1%)
   (  segid "    " and resid 11   and name HD1%)
      2.800     1.000     1.000 peak  3526 spectrum    1 weight  0.10000E+01 volume  0.17744E-02 ppm1      0.615 ppm2      0.822 CV     1
 OR { 3526}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 58   and name HG12))
 ASSI { 3529}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 76   and name HB  ))
      2.600     0.900     0.900 peak  3529 spectrum    1 weight  0.10000E+01 volume  0.16648E-02 ppm1      0.537 ppm2      1.780 CV     1
 OR { 3529}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 7    and name HB  ))
 OR { 3529}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 77   and name HB1 ))
 ASSI { 3530}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 77   and name HB2 ))
      5.700     4.100     0.300 peak  3530 spectrum    1 weight  0.10000E+01 volume  0.18656E-03 ppm1      0.531 ppm2      1.653 CV     1
 OR { 3530}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 77   and name HG  ))
 OR { 3530}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 58   and name HB  ))
 ASSI { 3531}
   (  segid "    " and resid 76   and name HG2%)
   (  segid "    " and resid 2    and name HB% )
      4.700     2.700     1.300 peak  3531 spectrum    1 weight  0.10000E+01 volume  0.43122E-03 ppm1      0.540 ppm2      1.539 CV     1
 OR { 3531}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 7    and name HG11))
 OR { 3531}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 58   and name HG11))
 OR { 3531}
   (  segid "    " and resid 76   and name HG2%)
   (  segid "    " and resid 50   and name HB% )
 ASSI { 3532}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 58   and name HG11))
      6.000     5.500     0.000 peak  3532 spectrum    1 weight  0.10000E+01 volume  0.59756E-04 ppm1      0.532 ppm2      1.487 CV     1
 OR { 3532}
   (  segid "    " and resid 76   and name HG2%)
   (  segid "    " and resid 50   and name HB% )
 OR { 3532}
   (  segid "    " and resid 76   and name HG2%)
   (  segid "    " and resid 1    and name HB% )
 ASSI { 3534}
   (  segid "    " and resid 76   and name HD1%)
   (  segid "    " and resid 73   and name HG2%)
      3.100     3.100     2.900 peak  3534 spectrum    1 weight  0.10000E+01 volume  0.47482E-03 ppm1      0.611 ppm2      1.121 CV     1
 OR { 3534}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 40   and name H3B ))
 ASSI { 3535}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 11   and name HB1 ))
      3.100     3.100     2.900 peak  3535 spectrum    1 weight  0.10000E+01 volume  0.54051E-03 ppm1      0.613 ppm2      2.117 CV     1
 OR { 3535}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 66   and name HB1 ))
 OR { 3535}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 51   and name HB2 ))
 OR { 3535}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 14   and name HB  ))
 OR { 3535}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 80   and name HB2 ))
 ASSI { 3536}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 76   and name HG11))
      2.100     0.500     0.500 peak  3536 spectrum    1 weight  0.10000E+01 volume  0.82403E-02 ppm1      0.617 ppm2      1.997 CV     1
 OR { 3536}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 11   and name HG  ))
 ASSI { 3540}
   (  segid "    " and resid 76   and name HD1%)
   (  segid "    " and resid 50   and name HB% )
      3.000     1.100     1.100 peak  3540 spectrum    1 weight  0.10000E+01 volume  0.38090E-02 ppm1      0.615 ppm2      1.499 CV     1
 OR { 3540}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 58   and name HG11))
 ASSI { 3541}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 40   and name H2B ))
      3.700     1.800     1.800 peak  3541 spectrum    1 weight  0.10000E+01 volume  0.16316E-03 ppm1      0.614 ppm2      2.218 CV     1
 OR { 3541}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 40   and name H2A ))
 OR { 3541}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 47   and name HB  ))
 OR { 3541}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 78   and name HB2 ))
 OR { 3541}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 15   and name HB  ))
 OR { 3541}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 4    and name HG1 ))
 ASSI { 3542}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 66   and name HB1 ))
      3.500     1.500     1.500 peak  3542 spectrum    1 weight  0.10000E+01 volume  0.25697E-03 ppm1      0.619 ppm2      2.190 CV     1
 OR { 3542}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 47   and name HB  ))
 OR { 3542}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 80   and name HB2 ))
 OR { 3542}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 4    and name HG2 ))
 OR { 3542}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 78   and name HB2 ))
 ASSI { 3545}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 54   and name HB2 ))
      4.300     2.300     1.700 peak  3545 spectrum    1 weight  0.10000E+01 volume  0.44903E-03 ppm1      0.534 ppm2      2.733 CV     1
 OR { 3545}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 80   and name HG1 ))
 ASSI { 3548}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 79   and name HB2 ))
      5.500     3.800     0.500 peak  3548 spectrum    1 weight  0.10000E+01 volume  0.92045E-04 ppm1      0.534 ppm2      2.519 CV     1
 OR { 3548}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 55   and name HB2 ))
 OR { 3548}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 78   and name HB1 ))
 ASSI { 3552}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 56   and name HB  ))
      3.500     1.500     1.500 peak  3552 spectrum    1 weight  0.10000E+01 volume  0.85239E-03 ppm1      0.534 ppm2      2.002 CV     1
 OR { 3552}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 76   and name HG11))
 ASSI { 3553}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 77   and name HA  ))
      4.700     2.700     1.300 peak  3553 spectrum    1 weight  0.10000E+01 volume  0.24809E-03 ppm1      0.534 ppm2      3.900 CV     1
 OR { 3553}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 7    and name HA  ))
 ASSI { 3556}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 73   and name HA  ))
      5.700     4.100     0.300 peak  3556 spectrum    1 weight  0.10000E+01 volume  0.17865E-03 ppm1      0.541 ppm2      3.658 CV     1
 OR { 3556}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 4    and name HA  ))
 ASSI { 3558}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 11   and name HA  ))
      3.400     1.500     1.500 peak  3558 spectrum    1 weight  0.10000E+01 volume  0.28036E-03 ppm1      0.616 ppm2      4.207 CV     1
 OR { 3558}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 51   and name HA  ))
 OR { 3558}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 73   and name HB  ))
 OR { 3558}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 75   and name HA  ))
 ASSI { 3561}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 50   and name HA  ))
      3.800     1.800     1.800 peak  3561 spectrum    1 weight  0.10000E+01 volume  0.14551E-03 ppm1      0.618 ppm2      3.992 CV     1
 OR { 3561}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 43   and name HA  ))
 OR { 3561}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 70   and name HA1 ))
 OR { 3561}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 48   and name HA  ))
 ASSI { 3562}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 7    and name HA  ))
      3.000     3.000     3.000 peak  3562 spectrum    1 weight  0.10000E+01 volume  0.59189E-03 ppm1      0.616 ppm2      3.898 CV     1
 OR { 3562}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 77   and name HA  ))
 OR { 3562}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 74   and name HA  ))
 ASSI { 3565}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 54   and name HA  ))
      3.600     3.600     2.400 peak  3565 spectrum    1 weight  0.10000E+01 volume  0.21815E-03 ppm1      0.614 ppm2      4.843 CV     1
 OR { 3565}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 2    and name HA  ))
 ASSI { 3567}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 51   and name HN  ))
      3.900     1.900     1.900 peak  3567 spectrum    1 weight  0.10000E+01 volume  0.12486E-03 ppm1      0.614 ppm2      8.845 CV     1
 OR { 3567}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 50   and name HN  ))
 OR { 3567}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 2    and name HN  ))
 ASSI { 3570}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 7    and name HN  ))
      3.300     3.300     2.700 peak  3570 spectrum    1 weight  0.10000E+01 volume  0.33269E-03 ppm1      0.613 ppm2      8.388 CV     1
 OR { 3570}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 8    and name HN  ))
 OR { 3570}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 10   and name HN  ))
 OR { 3570}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 71   and name HN  ))
 ASSI { 3573}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 75   and name HN  ))
      3.900     1.900     1.900 peak  3573 spectrum    1 weight  0.10000E+01 volume  0.13490E-03 ppm1      0.617 ppm2      7.931 CV     1
 OR { 3573}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 49   and name HN  ))
 ASSI { 3574}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 80   and name HE22))
      4.100     2.100     1.900 peak  3574 spectrum    1 weight  0.10000E+01 volume  0.98765E-04 ppm1      0.609 ppm2      7.752 CV     1
 OR { 3574}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 79   and name HN  ))
 OR { 3574}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 52   and name HN  ))
 OR { 3574}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 9    and name HN  ))
 ASSI { 3580}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 7    and name HN  ))
      4.100     2.200     1.900 peak  3580 spectrum    1 weight  0.10000E+01 volume  0.88994E-04 ppm1      0.535 ppm2      8.393 CV     1
 OR { 3580}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 8    and name HN  ))
 OR { 3580}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 10   and name HN  ))
 ASSI { 3588}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 7    and name HN  ))
      3.300     3.300     2.700 peak  3588 spectrum    1 weight  0.10000E+01 volume  0.33568E-03 ppm1      1.665 ppm2      8.390 CV     1
 OR { 3588}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 8    and name HN  ))
 ASSI { 3589}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 77   and name HN  ))
      2.500     0.800     0.800 peak  3589 spectrum    1 weight  0.10000E+01 volume  0.39506E-02 ppm1      1.770 ppm2      8.505 CV     1
 OR { 3589}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 28   and name HN  ))
 ASSI { 3590}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 77   and name HN  ))
      2.400     0.700     0.700 peak  3590 spectrum    1 weight  0.10000E+01 volume  0.35944E-02 ppm1      1.665 ppm2      8.506 CV     1
 OR { 3590}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 76   and name HN  ))
 ASSI { 3593}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HN  ))
      2.500     0.800     0.800 peak  3593 spectrum    1 weight  0.10000E+01 volume  0.38788E-02 ppm1      3.896 ppm2      8.504 CV     1
 OR { 3593}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
 ASSI { 3595}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 80   and name HN  ))
      3.900     1.900     1.900 peak  3595 spectrum    1 weight  0.10000E+01 volume  0.83609E-03 ppm1      3.902 ppm2      7.863 CV     1
 OR { 3595}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
 ASSI { 3596}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 80   and name HE22))
      3.300     1.400     1.400 peak  3596 spectrum    1 weight  0.10000E+01 volume  0.32727E-02 ppm1      3.898 ppm2      7.736 CV     1
 OR { 3596}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 79   and name HN  ))
 OR { 3596}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
 ASSI { 3598}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
      3.700     3.700     2.300 peak  3598 spectrum    1 weight  0.10000E+01 volume  0.41505E-03 ppm1      3.898 ppm2      8.389 CV     1
 OR { 3598}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
 OR { 3598}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
 ASSI { 3600}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 79   and name HN  ))
      5.300     3.500     0.700 peak  3600 spectrum    1 weight  0.10000E+01 volume  0.27306E-03 ppm1      1.771 ppm2      7.751 CV     1
 OR { 3600}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 80   and name HE22))
 ASSI { 3601}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 77   and name HA  ))
      2.500     0.800     0.800 peak  3601 spectrum    1 weight  0.10000E+01 volume  0.37852E-02 ppm1      1.770 ppm2      3.916 CV     1
 OR { 3601}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 74   and name HA  ))
 ASSI { 3602}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 77   and name HA  ))
      2.300     0.600     0.600 peak  3602 spectrum    1 weight  0.10000E+01 volume  0.38440E-02 ppm1      1.664 ppm2      3.914 CV     1
 OR { 3602}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 74   and name HA  ))
 ASSI { 3605}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 80   and name HB2 ))
      4.300     2.300     1.700 peak  3605 spectrum    1 weight  0.10000E+01 volume  0.68508E-03 ppm1      3.903 ppm2      2.140 CV     1
 OR { 3605}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 52   and name HB1 ))
 ASSI { 3606}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HB1 ))
      2.700     0.900     0.900 peak  3606 spectrum    1 weight  0.10000E+01 volume  0.42273E-02 ppm1      3.896 ppm2      1.769 CV     1
 OR { 3606}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 76   and name HB  ))
 ASSI { 3607}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HB1 ))
      2.100     0.600     0.600 peak  3607 spectrum    1 weight  0.10000E+01 volume  0.83938E-02 ppm1      3.908 ppm2      1.623 CV     1
 OR { 3607}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HB2 ))
 OR { 3607}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HG  ))
 ASSI { 3608}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 78   and name HB2 ))
      4.400     2.500     1.600 peak  3608 spectrum    1 weight  0.10000E+01 volume  0.35459E-03 ppm1      1.770 ppm2      2.214 CV     1
 OR { 3608}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 4    and name HG1 ))
 ASSI { 3610}
   (( segid "    " and resid 77   and name HB1 ))
   (  segid "    " and resid 77   and name HD1%)
      2.600     0.800     0.800 peak  3610 spectrum    1 weight  0.10000E+01 volume  0.54754E-02 ppm1      1.769 ppm2      0.827 CV     1
 OR { 3610}
   (( segid "    " and resid 77   and name HB1 ))
   (  segid "    " and resid 77   and name HD2%)
 OR { 3610}
   (( segid "    " and resid 28   and name HB1 ))
   (  segid "    " and resid 28   and name HD1%)
 ASSI { 3611}
   (( segid "    " and resid 77   and name HB1 ))
   (  segid "    " and resid 7    and name HD1%)
      3.900     1.900     1.900 peak  3611 spectrum    1 weight  0.10000E+01 volume  0.16409E-02 ppm1      1.769 ppm2      0.527 CV     1
 OR { 3611}
   (( segid "    " and resid 77   and name HB1 ))
   (  segid "    " and resid 76   and name HG2%)
 ASSI { 3612}
   (( segid "    " and resid 77   and name HB2 ))
   (  segid "    " and resid 7    and name HD1%)
      2.400     0.700     0.700 peak  3612 spectrum    1 weight  0.10000E+01 volume  0.14989E-02 ppm1      1.667 ppm2      0.532 CV     1
 OR { 3612}
   (( segid "    " and resid 77   and name HB2 ))
   (  segid "    " and resid 76   and name HG2%)
 ASSI { 3614}
   (( segid "    " and resid 77   and name HA  ))
   (  segid "    " and resid 7    and name HD1%)
      2.200     0.600     0.600 peak  3614 spectrum    1 weight  0.10000E+01 volume  0.52731E-02 ppm1      3.896 ppm2      0.528 CV     1
 OR { 3614}
   (( segid "    " and resid 77   and name HA  ))
   (  segid "    " and resid 76   and name HG2%)
 ASSI { 3616}
   (( segid "    " and resid 77   and name HA  ))
   (  segid "    " and resid 77   and name HD2%)
      2.500     0.800     0.800 peak  3616 spectrum    1 weight  0.10000E+01 volume  0.93516E-02 ppm1      3.899 ppm2      0.826 CV     1
 OR { 3616}
   (( segid "    " and resid 77   and name HA  ))
   (  segid "    " and resid 77   and name HD1%)
 OR { 3616}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HG1 ))
 ASSI { 3618}
   (( segid "    " and resid 77   and name HG  ))
   (( segid "    " and resid 78   and name HA  ))
      4.700     2.700     1.300 peak  3618 spectrum    1 weight  0.10000E+01 volume  0.28566E-03 ppm1      1.628 ppm2      4.382 CV     1
 OR { 3618}
   (( segid "    " and resid 77   and name HG  ))
   (( segid "    " and resid 80   and name HA  ))
 ASSI { 3619}
   (( segid "    " and resid 77   and name HG  ))
   (( segid "    " and resid 77   and name HN  ))
      3.600     1.600     1.600 peak  3619 spectrum    1 weight  0.10000E+01 volume  0.20665E-02 ppm1      1.630 ppm2      8.503 CV     1
 OR { 3619}
   (( segid "    " and resid 77   and name HG  ))
   (( segid "    " and resid 3    and name HN  ))
 ASSI { 3625}
   (( segid "    " and resid 77   and name HG  ))
   (  segid "    " and resid 7    and name HD1%)
      3.400     1.400     1.400 peak  3625 spectrum    1 weight  0.10000E+01 volume  0.21481E-02 ppm1      1.632 ppm2      0.531 CV     1
 OR { 3625}
   (( segid "    " and resid 77   and name HG  ))
   (  segid "    " and resid 76   and name HG2%)
 ASSI { 3630}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 77   and name HA  ))
      2.600     0.800     0.800 peak  3630 spectrum    1 weight  0.10000E+01 volume  0.70367E-02 ppm1      0.826 ppm2      3.893 CV     1
 OR { 3630}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 77   and name HA  ))
 OR { 3630}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 74   and name HA  ))
 ASSI { 3631}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 2    and name HA  ))
      4.000     2.000     2.000 peak  3631 spectrum    1 weight  0.10000E+01 volume  0.16140E-03 ppm1      0.835 ppm2      4.835 CV     1
 OR { 3631}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 2    and name HA  ))
 OR { 3631}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 54   and name HA  ))
 OR { 3631}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 54   and name HA  ))
 ASSI { 3635}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 7    and name HN  ))
      3.200     1.300     1.300 peak  3635 spectrum    1 weight  0.10000E+01 volume  0.43370E-03 ppm1      0.826 ppm2      8.378 CV     1
 OR { 3635}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 7    and name HN  ))
 OR { 3635}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 8    and name HN  ))
 ASSI { 3642}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 79   and name HN  ))
      3.700     1.700     1.700 peak  3642 spectrum    1 weight  0.10000E+01 volume  0.18535E-02 ppm1      0.825 ppm2      7.740 CV     1
 OR { 3642}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 80   and name HE22))
 OR { 3642}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 79   and name HN  ))
 OR { 3642}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 80   and name HE22))
 ASSI { 3643}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 80   and name HE21))
      3.700     1.700     1.700 peak  3643 spectrum    1 weight  0.10000E+01 volume  0.16383E-02 ppm1      0.825 ppm2      7.683 CV     1
 OR { 3643}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 79   and name HN  ))
 OR { 3643}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 80   and name HE21))
 OR { 3643}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 79   and name HN  ))
 ASSI { 3656}
   (  segid "    " and resid 77   and name HD2%)
   (  segid "    " and resid 7    and name HD1%)
      2.600     0.900     0.900 peak  3656 spectrum    1 weight  0.10000E+01 volume  0.61697E-02 ppm1      0.825 ppm2      0.528 CV     1
 OR { 3656}
   (  segid "    " and resid 77   and name HD1%)
   (  segid "    " and resid 7    and name HD1%)
 OR { 3656}
   (  segid "    " and resid 77   and name HD1%)
   (  segid "    " and resid 76   and name HG2%)
 ASSI { 3687}
   (  segid "    " and resid 1    and name HB% )
   (( segid "    " and resid 80   and name HG1 ))
      3.300     1.300     1.300 peak  3687 spectrum    1 weight  0.10000E+01 volume  0.92493E-03 ppm1      1.518 ppm2      2.712 CV     1
 OR { 3687}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 53   and name HD2 ))
 ASSI { 3688}
   (  segid "    " and resid 1    and name HB% )
   (( segid "    " and resid 80   and name HG2 ))
      4.200     2.200     1.800 peak  3688 spectrum    1 weight  0.10000E+01 volume  0.15997E-02 ppm1      1.516 ppm2      2.579 CV     1
 OR { 3688}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 13   and name HG1 ))
 ASSI { 3689}
   (  segid "    " and resid 1    and name HB% )
   (( segid "    " and resid 80   and name HB2 ))
      3.600     1.700     1.700 peak  3689 spectrum    1 weight  0.10000E+01 volume  0.17768E-02 ppm1      1.515 ppm2      2.142 CV     1
 OR { 3689}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 14   and name HB  ))
 OR { 3689}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 52   and name HB1 ))
 ASSI { 3692}
   (  segid "    " and resid 1    and name HB% )
   (  segid "    " and resid 7    and name HD1%)
      5.000     3.100     1.000 peak  3692 spectrum    1 weight  0.10000E+01 volume  0.59176E-03 ppm1      1.516 ppm2      0.542 CV     1
 OR { 3692}
   (  segid "    " and resid 1    and name HB% )
   (  segid "    " and resid 76   and name HG2%)
 OR { 3692}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 58   and name HD1%)
 OR { 3692}
   (  segid "    " and resid 1    and name HB% )
   (  segid "    " and resid 7    and name HG2%)
 ASSI { 3693}
   (  segid "    " and resid 1    and name HB% )
   (  segid "    " and resid 7    and name HD1%)
      5.700     4.000     0.300 peak  3693 spectrum    1 weight  0.10000E+01 volume  0.31455E-03 ppm1      1.517 ppm2      0.509 CV     1
 OR { 3693}
   (  segid "    " and resid 1    and name HB% )
   (  segid "    " and resid 76   and name HG2%)
 ASSI { 3694}
   (  segid "    " and resid 1    and name HB% )
   (( segid "    " and resid 80   and name HB1 ))
      3.900     1.900     1.900 peak  3694 spectrum    1 weight  0.10000E+01 volume  0.69334E-03 ppm1      1.514 ppm2      2.340 CV     1
 OR { 3694}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 13   and name HG2 ))
 ASSI { 3698}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 54   and name HD% )
      5.800     4.200     0.200 peak  3698 spectrum    1 weight  0.10000E+01 volume  0.23512E-03 ppm1      1.521 ppm2      7.455 CV     1
 OR { 3698}
   (  segid "    " and resid 1    and name HB% )
   (  segid "    " and resid 54   and name HD% )
 OR { 3698}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 54   and name HZ  ))
 ASSI { 3699}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 52   and name HN  ))
      3.700     1.700     1.700 peak  3699 spectrum    1 weight  0.10000E+01 volume  0.21517E-02 ppm1      1.517 ppm2      7.742 CV     1
 OR { 3699}
   (  segid "    " and resid 1    and name HB% )
   (( segid "    " and resid 80   and name HE22))
 OR { 3699}
   (  segid "    " and resid 1    and name HB% )
   (( segid "    " and resid 79   and name HN  ))
 ASSI { 3702}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 80   and name HE22))
      4.500     2.500     1.500 peak  3702 spectrum    1 weight  0.10000E+01 volume  0.34554E-03 ppm1      4.030 ppm2      7.723 CV     1
 OR { 3702}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 79   and name HN  ))
 ASSI { 3709}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 81   and name HN  ))
      2.500     0.800     0.800 peak  3709 spectrum    1 weight  0.10000E+01 volume  0.42725E-02 ppm1      4.384 ppm2      8.278 CV     1
 OR { 3709}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
 ASSI { 3714}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 74   and name HA  ))
      4.800     2.900     1.200 peak  3714 spectrum    1 weight  0.10000E+01 volume  0.20142E-03 ppm1      2.213 ppm2      3.943 CV     1
 OR { 3714}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 77   and name HA  ))
 ASSI { 3718}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 77   and name HA  ))
      5.500     3.800     0.500 peak  3718 spectrum    1 weight  0.10000E+01 volume  0.15124E-03 ppm1      4.382 ppm2      3.886 CV     1
 OR { 3718}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 77   and name HA  ))
 ASSI { 3720}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HB1 ))
      3.000     1.200     1.200 peak  3720 spectrum    1 weight  0.10000E+01 volume  0.41532E-02 ppm1      4.384 ppm2      2.529 CV     1
 OR { 3720}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 79   and name HB2 ))
 ASSI { 3721}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 77   and name HB1 ))
      4.400     2.400     1.600 peak  3721 spectrum    1 weight  0.10000E+01 volume  0.48176E-03 ppm1      4.390 ppm2      1.767 CV     1
 OR { 3721}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 76   and name HB  ))
 OR { 3721}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 77   and name HB1 ))
 ASSI { 3722}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 77   and name HG  ))
      4.100     2.100     1.900 peak  3722 spectrum    1 weight  0.10000E+01 volume  0.94585E-03 ppm1      4.384 ppm2      1.658 CV     1
 OR { 3722}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 77   and name HB2 ))
 OR { 3722}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 77   and name HG  ))
 OR { 3722}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 77   and name HB2 ))
 ASSI { 3723}
   (( segid "    " and resid 80   and name HA  ))
   (  segid "    " and resid 1    and name HB% )
      4.800     2.900     1.200 peak  3723 spectrum    1 weight  0.10000E+01 volume  0.45783E-03 ppm1      4.393 ppm2      1.509 CV     1
 OR { 3723}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 1    and name HB% )
 OR { 3723}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 7    and name HG11))
 OR { 3723}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 74   and name HG1 ))
 ASSI { 3735}
   (( segid "    " and resid 78   and name HB1 ))
   (( segid "    " and resid 77   and name HN  ))
      5.100     3.300     0.900 peak  3735 spectrum    1 weight  0.10000E+01 volume  0.23974E-03 ppm1      2.532 ppm2      8.524 CV     1
 OR { 3735}
   (( segid "    " and resid 78   and name HB1 ))
   (( segid "    " and resid 76   and name HN  ))
 ASSI { 3739}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 79   and name HN  ))
      3.500     1.500     1.500 peak  3739 spectrum    1 weight  0.10000E+01 volume  0.12762E-02 ppm1      4.382 ppm2      7.716 CV     1
 OR { 3739}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HE22))
 OR { 3739}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 79   and name HN  ))
 ASSI { 3740}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 77   and name HN  ))
      5.200     3.300     0.800 peak  3740 spectrum    1 weight  0.10000E+01 volume  0.25159E-03 ppm1      4.388 ppm2      8.514 CV     1
 OR { 3740}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 77   and name HN  ))
 OR { 3740}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
 ASSI { 3759}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 80   and name HA  ))
      5.300     3.500     0.700 peak  3759 spectrum    1 weight  0.10000E+01 volume  0.17805E-03 ppm1      3.589 ppm2      4.430 CV     1
 OR { 3759}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 78   and name HA  ))
 ASSI { 3779}
   (( segid "    " and resid 79   and name HD2 ))
   (( segid "    " and resid 78   and name HB1 ))
      3.000     1.100     1.100 peak  3779 spectrum    1 weight  0.10000E+01 volume  0.13409E-02 ppm1      7.015 ppm2      2.525 CV     1
 OR { 3779}
   (( segid "    " and resid 79   and name HD2 ))
   (( segid "    " and resid 79   and name HB2 ))
 ASSI { 3784}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 81   and name HN  ))
      4.000     2.000     2.000 peak  3784 spectrum    1 weight  0.10000E+01 volume  0.13899E-02 ppm1      2.145 ppm2      8.307 CV     1
 OR { 3784}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 78   and name HN  ))
 ASSI { 3793}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 6    and name HN  ))
      4.300     2.300     1.700 peak  3793 spectrum    1 weight  0.10000E+01 volume  0.69645E-03 ppm1      2.143 ppm2      7.730 CV     1
 OR { 3793}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 6    and name HN  ))
 OR { 3793}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 79   and name HN  ))
 OR { 3793}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 80   and name HE22))
 ASSI { 3795}
   (( segid "    " and resid 80   and name HB1 ))
   (( segid "    " and resid 80   and name HE22))
      4.400     2.400     1.600 peak  3795 spectrum    1 weight  0.10000E+01 volume  0.61542E-03 ppm1      2.341 ppm2      7.738 CV     1
 OR { 3795}
   (( segid "    " and resid 26   and name HB  ))
   (( segid "    " and resid 25   and name HN  ))
 OR { 3795}
   (( segid "    " and resid 80   and name HB1 ))
   (( segid "    " and resid 79   and name HN  ))
 ASSI { 3799}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 80   and name HA  ))
      2.800     1.000     1.000 peak  3799 spectrum    1 weight  0.10000E+01 volume  0.42189E-02 ppm1      2.145 ppm2      4.419 CV     1
 OR { 3799}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 3    and name HA  ))
 ASSI { 3812}
   (( segid "    " and resid 80   and name HB2 ))
   (  segid "    " and resid 76   and name HG2%)
      4.400     2.500     1.600 peak  3812 spectrum    1 weight  0.10000E+01 volume  0.13722E-02 ppm1      2.151 ppm2      0.532 CV     1
 OR { 3812}
   (( segid "    " and resid 80   and name HB2 ))
   (  segid "    " and resid 7    and name HD1%)
 OR { 3812}
   (( segid "    " and resid 4    and name HB1 ))
   (  segid "    " and resid 7    and name HD1%)
 ASSI { 3813}
   (( segid "    " and resid 80   and name HB1 ))
   (  segid "    " and resid 76   and name HG2%)
      4.700     2.700     1.300 peak  3813 spectrum    1 weight  0.10000E+01 volume  0.98153E-03 ppm1      2.339 ppm2      0.531 CV     1
 OR { 3813}
   (( segid "    " and resid 80   and name HB1 ))
   (  segid "    " and resid 7    and name HD1%)
 ASSI { 3816}
   (( segid "    " and resid 80   and name HB2 ))
   (  segid "    " and resid 1    and name HB% )
      4.400     2.400     1.600 peak  3816 spectrum    1 weight  0.10000E+01 volume  0.53658E-03 ppm1      2.136 ppm2      1.521 CV     1
 OR { 3816}
   (( segid "    " and resid 5    and name HB1 ))
   (  segid "    " and resid 9    and name HB% )
 OR { 3816}
   (( segid "    " and resid 80   and name HB2 ))
   (  segid "    " and resid 2    and name HB% )
 OR { 3816}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 7    and name HG11))
 OR { 3816}
   (( segid "    " and resid 4    and name HB1 ))
   (  segid "    " and resid 2    and name HB% )
 ASSI { 3818}
   (( segid "    " and resid 80   and name HB2 ))
   (  segid "    " and resid 81   and name HB% )
      5.600     3.900     0.400 peak  3818 spectrum    1 weight  0.10000E+01 volume  0.19534E-03 ppm1      2.164 ppm2      1.447 CV     1
 OR { 3818}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 28   and name HB2 ))
 ASSI { 3821}
   (( segid "    " and resid 80   and name HB2 ))
   (  segid "    " and resid 56   and name HG2%)
      4.300     2.300     1.700 peak  3821 spectrum    1 weight  0.10000E+01 volume  0.93736E-03 ppm1      2.151 ppm2      0.935 CV     1
 OR { 3821}
   (( segid "    " and resid 4    and name HB1 ))
   (  segid "    " and resid 28   and name HD2%)
 OR { 3821}
   (( segid "    " and resid 80   and name HB2 ))
   (  segid "    " and resid 56   and name HG1%)
 OR { 3821}
   (( segid "    " and resid 4    and name HB1 ))
   (  segid "    " and resid 8    and name HG1%)
 ASSI { 3831}
   (( segid "    " and resid 80   and name HG1 ))
   (  segid "    " and resid 1    and name HB% )
      3.500     1.500     1.500 peak  3831 spectrum    1 weight  0.10000E+01 volume  0.62131E-03 ppm1      2.713 ppm2      1.525 CV     1
 OR { 3831}
   (( segid "    " and resid 80   and name HG1 ))
   (  segid "    " and resid 2    and name HB% )
 ASSI { 3832}
   (( segid "    " and resid 80   and name HG2 ))
   (  segid "    " and resid 2    and name HB% )
      4.300     2.300     1.700 peak  3832 spectrum    1 weight  0.10000E+01 volume  0.65730E-03 ppm1      2.586 ppm2      1.519 CV     1
 OR { 3832}
   (( segid "    " and resid 80   and name HG2 ))
   (  segid "    " and resid 1    and name HB% )
 ASSI { 3837}
   (( segid "    " and resid 80   and name HG2 ))
   (  segid "    " and resid 7    and name HD1%)
      3.900     1.900     1.900 peak  3837 spectrum    1 weight  0.10000E+01 volume  0.77392E-03 ppm1      2.589 ppm2      0.534 CV     1
 OR { 3837}
   (( segid "    " and resid 80   and name HG2 ))
   (  segid "    " and resid 76   and name HG2%)
 ASSI { 3838}
   (( segid "    " and resid 80   and name HG1 ))
   (  segid "    " and resid 7    and name HD1%)
      4.600     2.700     1.400 peak  3838 spectrum    1 weight  0.10000E+01 volume  0.79639E-03 ppm1      2.711 ppm2      0.524 CV     1
 OR { 3838}
   (( segid "    " and resid 80   and name HG1 ))
   (  segid "    " and resid 76   and name HG2%)
 ASSI { 3851}
   (( segid "    " and resid 80   and name HG1 ))
   (( segid "    " and resid 80   and name HE22))
      3.600     1.600     1.600 peak  3851 spectrum    1 weight  0.10000E+01 volume  0.23775E-02 ppm1      2.713 ppm2      7.737 CV     1
 OR { 3851}
   (( segid "    " and resid 80   and name HG1 ))
   (( segid "    " and resid 79   and name HN  ))
 ASSI { 3852}
   (( segid "    " and resid 80   and name HG2 ))
   (( segid "    " and resid 80   and name HE22))
      3.300     1.300     1.300 peak  3852 spectrum    1 weight  0.10000E+01 volume  0.22938E-02 ppm1      2.587 ppm2      7.737 CV     1
 OR { 3852}
   (( segid "    " and resid 80   and name HG2 ))
   (( segid "    " and resid 79   and name HN  ))
 ASSI { 3855}
   (( segid "    " and resid 80   and name HG1 ))
   (( segid "    " and resid 81   and name HN  ))
      5.100     3.200     0.900 peak  3855 spectrum    1 weight  0.10000E+01 volume  0.39247E-03 ppm1      2.716 ppm2      8.311 CV     1
 OR { 3855}
   (( segid "    " and resid 80   and name HG1 ))
   (( segid "    " and resid 78   and name HN  ))
 ASSI { 3856}
   (( segid "    " and resid 80   and name HG2 ))
   (( segid "    " and resid 81   and name HN  ))
      4.500     2.600     1.500 peak  3856 spectrum    1 weight  0.10000E+01 volume  0.44254E-03 ppm1      2.586 ppm2      8.304 CV     1
 OR { 3856}
   (( segid "    " and resid 80   and name HG2 ))
   (( segid "    " and resid 78   and name HN  ))
 ASSI { 3859}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 70   and name HA1 ))
      4.700     2.800     1.300 peak  3859 spectrum    1 weight  0.10000E+01 volume  0.87880E-03 ppm1      1.110 ppm2      4.039 CV     1
 OR { 3859}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 70   and name HA1 ))
 OR { 3859}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 32   and name HA  ))
 ASSI { 3860}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 74   and name HA  ))
      3.500     1.500     1.500 peak  3860 spectrum    1 weight  0.10000E+01 volume  0.20027E-02 ppm1      1.109 ppm2      3.934 CV     1
 OR { 3860}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 7    and name HA  ))
 OR { 3860}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 77   and name HA  ))
 ASSI { 3862}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 4    and name HA  ))
      1.900     0.500     0.500 peak  3862 spectrum    1 weight  0.10000E+01 volume  0.12397E-01 ppm1      1.108 ppm2      3.675 CV     1
 OR { 3862}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 73   and name HA  ))
 ASSI { 3867}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 77   and name HN  ))
      3.900     1.900     1.900 peak  3867 spectrum    1 weight  0.10000E+01 volume  0.13255E-02 ppm1      1.108 ppm2      8.510 CV     1
 OR { 3867}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 3    and name HN  ))
 OR { 3867}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 76   and name HN  ))
 ASSI { 3868}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 8    and name HN  ))
      3.300     1.300     1.300 peak  3868 spectrum    1 weight  0.10000E+01 volume  0.24223E-02 ppm1      1.109 ppm2      8.390 CV     1
 OR { 3868}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 7    and name HN  ))
 OR { 3868}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 71   and name HN  ))
 ASSI { 3869}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 78   and name HN  ))
      6.000     5.200     0.000 peak  3869 spectrum    1 weight  0.10000E+01 volume  0.88309E-04 ppm1      1.117 ppm2      8.294 CV     1
 OR { 3869}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 71   and name HN  ))
 ASSI { 3873}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 6    and name HN  ))
      4.000     2.000     2.000 peak  3873 spectrum    1 weight  0.10000E+01 volume  0.39826E-03 ppm1      1.111 ppm2      7.726 CV     1
 OR { 3873}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 80   and name HE22))
 OR { 3873}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 66   and name HN  ))
 OR { 3873}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 79   and name HN  ))
 ASSI { 3875}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 6    and name HB1 ))
      3.400     1.400     1.400 peak  3875 spectrum    1 weight  0.10000E+01 volume  0.39502E-03 ppm1      1.106 ppm2      2.481 CV     1
 OR { 3875}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 34   and name HB2 ))
 OR { 3875}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 5    and name HG1 ))
 OR { 3875}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 79   and name HB2 ))
 ASSI { 3877}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 67   and name HB2 ))
      3.000     1.100     1.100 peak  3877 spectrum    1 weight  0.10000E+01 volume  0.26551E-02 ppm1      1.108 ppm2      2.031 CV     1
 OR { 3877}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 4    and name HB2 ))
 OR { 3877}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 11   and name HG  ))
 OR { 3877}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 76   and name HG11))
 ASSI { 3878}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 74   and name HB2 ))
      3.600     3.600     2.400 peak  3878 spectrum    1 weight  0.10000E+01 volume  0.11834E-02 ppm1      1.109 ppm2      1.920 CV     1
 OR { 3878}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 74   and name HB2 ))
 ASSI { 3879}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 7    and name HB  ))
      1.900     0.500     0.500 peak  3879 spectrum    1 weight  0.10000E+01 volume  0.64566E-02 ppm1      1.108 ppm2      1.781 CV     1
 OR { 3879}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 76   and name HB  ))
 ASSI { 3880}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 77   and name HB2 ))
      3.200     1.300     1.300 peak  3880 spectrum    1 weight  0.10000E+01 volume  0.11046E-02 ppm1      1.103 ppm2      1.695 CV     1
 OR { 3880}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 74   and name HD2 ))
 ASSI { 3881}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 77   and name HB2 ))
      2.900     1.000     1.000 peak  3881 spectrum    1 weight  0.10000E+01 volume  0.21515E-02 ppm1      1.109 ppm2      1.620 CV     1
 OR { 3881}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 67   and name HG1 ))
 OR { 3881}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 77   and name HG  ))
 OR { 3881}
   (  segid "    " and resid 73   and name HG2%)
   (  segid "    " and resid 72   and name HB% )
 ASSI { 3882}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 7    and name HG11))
      3.900     1.900     1.900 peak  3882 spectrum    1 weight  0.10000E+01 volume  0.65612E-03 ppm1      1.109 ppm2      1.555 CV     1
 OR { 3882}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 67   and name HG1 ))
 OR { 3882}
   (  segid "    " and resid 73   and name HG2%)
   (  segid "    " and resid 2    and name HB% )
 OR { 3882}
   (  segid "    " and resid 73   and name HG2%)
   (  segid "    " and resid 72   and name HB% )
 ASSI { 3883}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 67   and name HG2 ))
      3.300     1.400     1.400 peak  3883 spectrum    1 weight  0.10000E+01 volume  0.11366E-02 ppm1      1.101 ppm2      1.474 CV     1
 OR { 3883}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 28   and name HB2 ))
 OR { 3883}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 36   and name HG  ))
 OR { 3883}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 74   and name HG2 ))
 OR { 3883}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 74   and name HG1 ))
 OR { 3883}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 28   and name HB2 ))
 OR { 3883}
   (  segid "    " and resid 73   and name HG2%)
   (  segid "    " and resid 50   and name HB% )
 OR { 3883}
   (  segid "    " and resid 73   and name HG2%)
   (  segid "    " and resid 1    and name HB% )
 ASSI { 3885}
   (  segid "    " and resid 73   and name HG2%)
   (  segid "    " and resid 77   and name HD2%)
      2.600     0.900     0.900 peak  3885 spectrum    1 weight  0.10000E+01 volume  0.88364E-02 ppm1      1.107 ppm2      0.828 CV     1
 OR { 3885}
   (  segid "    " and resid 73   and name HG2%)
   (  segid "    " and resid 77   and name HD1%)
 OR { 3885}
   (  segid "    " and resid 73   and name HG2%)
   (  segid "    " and resid 11   and name HD1%)
 OR { 3885}
   (  segid "    " and resid 73   and name HG2%)
   (  segid "    " and resid 28   and name HD1%)
 OR { 3885}
   (  segid "    " and resid 73   and name HG2%)
   (  segid "    " and resid 11   and name HD2%)
 ASSI { 3887}
   (  segid "    " and resid 73   and name HG2%)
   (  segid "    " and resid 7    and name HD1%)
      2.300     0.700     0.700 peak  3887 spectrum    1 weight  0.10000E+01 volume  0.99998E-02 ppm1      1.109 ppm2      0.551 CV     1
 OR { 3887}
   (  segid "    " and resid 73   and name HG2%)
   (  segid "    " and resid 7    and name HG2%)
 OR { 3887}
   (  segid "    " and resid 73   and name HG2%)
   (  segid "    " and resid 76   and name HG2%)
 ASSI { 3894}
   (  segid "    " and resid 54   and name HD% )
   (( segid "    " and resid 51   and name HN  ))
      4.700     2.700     1.300 peak  3894 spectrum    1 weight  0.10000E+01 volume  0.20699E-03 ppm1      7.466 ppm2      8.843 CV     1
 OR { 3894}
   (  segid "    " and resid 54   and name HD% )
   (( segid "    " and resid 2    and name HN  ))
 ASSI { 3900}
   (  segid "    " and resid 54   and name HD% )
   (( segid "    " and resid 11   and name HG  ))
      4.600     2.600     1.400 peak  3900 spectrum    1 weight  0.10000E+01 volume  0.52511E-03 ppm1      7.469 ppm2      1.992 CV     1
 OR { 3900}
   (  segid "    " and resid 54   and name HD% )
   (( segid "    " and resid 56   and name HB  ))
 OR { 3900}
   (  segid "    " and resid 54   and name HD% )
   (( segid "    " and resid 76   and name HG11))
 ASSI { 3901}
   (  segid "    " and resid 54   and name HD% )
   (( segid "    " and resid 76   and name HB  ))
      5.000     3.100     1.000 peak  3901 spectrum    1 weight  0.10000E+01 volume  0.29982E-03 ppm1      7.471 ppm2      1.778 CV     1
 OR { 3901}
   (  segid "    " and resid 54   and name HD% )
   (( segid "    " and resid 7    and name HB  ))
 ASSI { 3903}
   (  segid "    " and resid 54   and name HD% )
   (( segid "    " and resid 53   and name HB2 ))
      3.300     1.400     1.400 peak  3903 spectrum    1 weight  0.10000E+01 volume  0.92507E-03 ppm1      7.467 ppm2      1.079 CV     1
 OR { 3903}
   (  segid "    " and resid 54   and name HD% )
   (  segid "    " and resid 73   and name HG2%)
 OR { 3903}
   (  segid "    " and resid 54   and name HD% )
   (  segid "    " and resid 8    and name HG2%)
 ASSI { 3904}
   (  segid "    " and resid 54   and name HD% )
   (( segid "    " and resid 53   and name HG1 ))
      3.200     1.300     1.300 peak  3904 spectrum    1 weight  0.10000E+01 volume  0.16221E-02 ppm1      7.469 ppm2      0.879 CV     1
 OR { 3904}
   (  segid "    " and resid 54   and name HD% )
   (  segid "    " and resid 11   and name HD2%)
 OR { 3904}
   (  segid "    " and resid 54   and name HD% )
   (( segid "    " and resid 76   and name HG12))
 OR { 3904}
   (  segid "    " and resid 54   and name HD% )
   (  segid "    " and resid 11   and name HD1%)
 OR { 3904}
   (  segid "    " and resid 54   and name HD% )
   (( segid "    " and resid 58   and name HG12))
 ASSI { 3906}
   (  segid "    " and resid 54   and name HD% )
   (  segid "    " and resid 76   and name HD1%)
      2.700     0.900     0.900 peak  3906 spectrum    1 weight  0.10000E+01 volume  0.30375E-02 ppm1      7.471 ppm2      0.615 CV     1
 OR { 3906}
   (  segid "    " and resid 54   and name HD% )
   (  segid "    " and resid 58   and name HD1%)
 OR { 3906}
   (  segid "    " and resid 54   and name HD% )
   (  segid "    " and resid 40   and name H6% )
 ASSI { 3907}
   (  segid "    " and resid 54   and name HD% )
   (  segid "    " and resid 76   and name HG2%)
      2.800     1.000     1.000 peak  3907 spectrum    1 weight  0.10000E+01 volume  0.29660E-02 ppm1      7.470 ppm2      0.542 CV     1
 OR { 3907}
   (  segid "    " and resid 54   and name HD% )
   (  segid "    " and resid 58   and name HD1%)
 OR { 3907}
   (  segid "    " and resid 54   and name HD% )
   (  segid "    " and resid 7    and name HG2%)
 OR { 3907}
   (  segid "    " and resid 54   and name HD% )
   (  segid "    " and resid 7    and name HD1%)
 ASSI { 3916}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
      3.700     1.700     1.700 peak  3916 spectrum    1 weight  0.10000E+01 volume  0.83079E-03 ppm1      4.858 ppm2      7.846 CV     1
 OR { 3916}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
 ASSI { 3920}
   (  segid "    " and resid 54   and name HE% )
   (( segid "    " and resid 7    and name HA  ))
      2.600     0.800     0.800 peak  3920 spectrum    1 weight  0.10000E+01 volume  0.35881E-02 ppm1      7.128 ppm2      3.881 CV     1
 OR { 3920}
   (  segid "    " and resid 54   and name HE% )
   (( segid "    " and resid 10   and name HA2 ))
 ASSI { 3923}
   (  segid "    " and resid 54   and name HE% )
   (( segid "    " and resid 53   and name HD2 ))
      4.100     2.100     1.900 peak  3923 spectrum    1 weight  0.10000E+01 volume  0.64132E-03 ppm1      7.126 ppm2      2.726 CV     1
 OR { 3923}
   (  segid "    " and resid 54   and name HE% )
   (( segid "    " and resid 54   and name HB2 ))
 ASSI { 3924}
   (  segid "    " and resid 54   and name HE% )
   (( segid "    " and resid 11   and name HB1 ))
      3.600     1.600     1.600 peak  3924 spectrum    1 weight  0.10000E+01 volume  0.46231E-03 ppm1      7.126 ppm2      2.121 CV     1
 OR { 3924}
   (  segid "    " and resid 54   and name HE% )
   (( segid "    " and resid 6    and name HB2 ))
 OR { 3924}
   (  segid "    " and resid 54   and name HE% )
   (( segid "    " and resid 51   and name HB2 ))
 OR { 3924}
   (  segid "    " and resid 54   and name HE% )
   (( segid "    " and resid 80   and name HB2 ))
 OR { 3924}
   (  segid "    " and resid 54   and name HE% )
   (( segid "    " and resid 4    and name HG2 ))
 OR { 3924}
   (  segid "    " and resid 54   and name HE% )
   (( segid "    " and resid 66   and name HB1 ))
 ASSI { 3926}
   (  segid "    " and resid 54   and name HE% )
   (( segid "    " and resid 7    and name HB  ))
      5.500     3.800     0.500 peak  3926 spectrum    1 weight  0.10000E+01 volume  0.17634E-03 ppm1      7.131 ppm2      1.783 CV     1
 OR { 3926}
   (  segid "    " and resid 54   and name HE% )
   (( segid "    " and resid 76   and name HB  ))
 ASSI { 3927}
   (  segid "    " and resid 54   and name HE% )
   (  segid "    " and resid 2    and name HB% )
      3.200     1.300     1.300 peak  3927 spectrum    1 weight  0.10000E+01 volume  0.14746E-02 ppm1      7.129 ppm2      1.556 CV     1
 OR { 3927}
   (  segid "    " and resid 54   and name HE% )
   (( segid "    " and resid 7    and name HG11))
 OR { 3927}
   (  segid "    " and resid 54   and name HE% )
   (  segid "    " and resid 72   and name HB% )
 ASSI { 3928}
   (  segid "    " and resid 54   and name HE% )
   (( segid "    " and resid 53   and name HB2 ))
      4.200     2.200     1.800 peak  3928 spectrum    1 weight  0.10000E+01 volume  0.44757E-03 ppm1      7.129 ppm2      1.081 CV     1
 OR { 3928}
   (  segid "    " and resid 54   and name HE% )
   (  segid "    " and resid 73   and name HG2%)
 OR { 3928}
   (  segid "    " and resid 54   and name HE% )
   (  segid "    " and resid 8    and name HG2%)
 ASSI { 3929}
   (  segid "    " and resid 54   and name HE% )
   (  segid "    " and resid 11   and name HD2%)
      2.800     1.000     1.000 peak  3929 spectrum    1 weight  0.10000E+01 volume  0.20302E-02 ppm1      7.127 ppm2      0.870 CV     1
 OR { 3929}
   (  segid "    " and resid 54   and name HE% )
   (( segid "    " and resid 53   and name HG1 ))
 OR { 3929}
   (  segid "    " and resid 54   and name HE% )
   (  segid "    " and resid 11   and name HD1%)
 ASSI { 3931}
   (  segid "    " and resid 54   and name HE% )
   (  segid "    " and resid 7    and name HG2%)
      3.300     1.400     1.400 peak  3931 spectrum    1 weight  0.10000E+01 volume  0.14528E-02 ppm1      7.126 ppm2      0.562 CV     1
 OR { 3931}
   (  segid "    " and resid 54   and name HE% )
   (  segid "    " and resid 76   and name HG2%)
 OR { 3931}
   (  segid "    " and resid 54   and name HE% )
   (  segid "    " and resid 7    and name HD1%)
 ASSI { 3935}
   (  segid "    " and resid 54   and name HE% )
   (( segid "    " and resid 7    and name HN  ))
      4.300     2.300     1.700 peak  3935 spectrum    1 weight  0.10000E+01 volume  0.58427E-03 ppm1      7.126 ppm2      8.392 CV     1
 OR { 3935}
   (  segid "    " and resid 54   and name HE% )
   (( segid "    " and resid 10   and name HN  ))
 OR { 3935}
   (  segid "    " and resid 54   and name HE% )
   (( segid "    " and resid 8    and name HN  ))
 ASSI { 3938}
   (( segid "    " and resid 54   and name HZ  ))
   (( segid "    " and resid 7    and name HA  ))
      2.500     0.800     0.800 peak  3938 spectrum    1 weight  0.10000E+01 volume  0.27900E-02 ppm1      7.465 ppm2      3.880 CV     1
 OR { 3938}
   (( segid "    " and resid 54   and name HZ  ))
   (( segid "    " and resid 10   and name HA2 ))
 ASSI { 3943}
   (( segid "    " and resid 54   and name HZ  ))
   (( segid "    " and resid 53   and name HG1 ))
      3.800     1.800     1.800 peak  3943 spectrum    1 weight  0.10000E+01 volume  0.60455E-03 ppm1      7.461 ppm2      0.869 CV     1
 OR { 3943}
   (( segid "    " and resid 54   and name HZ  ))
   (  segid "    " and resid 11   and name HD2%)
 ASSI { 3944}
   (( segid "    " and resid 54   and name HZ  ))
   (( segid "    " and resid 53   and name HG2 ))
      3.500     1.500     1.500 peak  3944 spectrum    1 weight  0.10000E+01 volume  0.25929E-03 ppm1      7.462 ppm2      0.725 CV     1
 OR { 3944}
   (( segid "    " and resid 54   and name HZ  ))
   (  segid "    " and resid 14   and name HD1%)
 ASSI { 3947}
   (( segid "    " and resid 54   and name HZ  ))
   (( segid "    " and resid 10   and name HN  ))
      3.900     1.900     1.900 peak  3947 spectrum    1 weight  0.10000E+01 volume  0.52721E-03 ppm1      7.466 ppm2      8.391 CV     1
 OR { 3947}
   (( segid "    " and resid 54   and name HZ  ))
   (( segid "    " and resid 7    and name HN  ))
 ASSI { 3953}
   (  segid "    " and resid 75   and name HD% )
   (( segid "    " and resid 79   and name HB2 ))
      4.000     2.000     2.000 peak  3953 spectrum    1 weight  0.10000E+01 volume  0.50410E-03 ppm1      6.817 ppm2      2.526 CV     1
 OR { 3953}
   (  segid "    " and resid 75   and name HD% )
   (( segid "    " and resid 78   and name HB1 ))
 ASSI { 3972}
   (  segid "    " and resid 75   and name HE% )
   (( segid "    " and resid 56   and name HA  ))
      4.600     2.600     1.400 peak  3972 spectrum    1 weight  0.10000E+01 volume  0.31091E-03 ppm1      6.553 ppm2      4.667 CV     1
 OR { 3972}
   (  segid "    " and resid 75   and name HE% )
   (( segid "    " and resid 79   and name HA  ))
 ASSI { 3978}
   (  segid "    " and resid 75   and name HE% )
   (( segid "    " and resid 51   and name HG2 ))
      4.300     2.300     1.700 peak  3978 spectrum    1 weight  0.10000E+01 volume  0.26525E-03 ppm1      6.549 ppm2      2.259 CV     1
 OR { 3978}
   (  segid "    " and resid 75   and name HE% )
   (( segid "    " and resid 78   and name HB2 ))
 ASSI { 3979}
   (  segid "    " and resid 75   and name HE% )
   (( segid "    " and resid 76   and name HG11))
      3.900     1.900     1.900 peak  3979 spectrum    1 weight  0.10000E+01 volume  0.12265E-02 ppm1      6.552 ppm2      1.995 CV     1
 OR { 3979}
   (  segid "    " and resid 75   and name HE% )
   (( segid "    " and resid 56   and name HB  ))
 ASSI { 3980}
   (  segid "    " and resid 75   and name HE% )
   (( segid "    " and resid 66   and name HG  ))
      4.800     2.800     1.200 peak  3980 spectrum    1 weight  0.10000E+01 volume  0.30836E-03 ppm1      6.551 ppm2      1.805 CV     1
 OR { 3980}
   (  segid "    " and resid 75   and name HE% )
   (( segid "    " and resid 76   and name HB  ))
 OR { 3980}
   (  segid "    " and resid 75   and name HE% )
   (( segid "    " and resid 77   and name HB1 ))
 ASSI { 3983}
   (  segid "    " and resid 75   and name HD% )
   (( segid "    " and resid 76   and name HB  ))
      4.400     2.400     1.600 peak  3983 spectrum    1 weight  0.10000E+01 volume  0.40382E-03 ppm1      6.819 ppm2      1.784 CV     1
 OR { 3983}
   (  segid "    " and resid 75   and name HD% )
   (( segid "    " and resid 66   and name HG  ))
 OR { 3983}
   (  segid "    " and resid 75   and name HD% )
   (( segid "    " and resid 77   and name HB1 ))
 ASSI { 3986}
   (  segid "    " and resid 75   and name HD% )
   (( segid "    " and resid 76   and name HG12))
      3.300     1.400     1.400 peak  3986 spectrum    1 weight  0.10000E+01 volume  0.17762E-02 ppm1      6.821 ppm2      0.912 CV     1
 OR { 3986}
   (  segid "    " and resid 75   and name HD% )
   (  segid "    " and resid 56   and name HG1%)
 ASSI { 3987}
   (  segid "    " and resid 75   and name HD% )
   (( segid "    " and resid 58   and name HG12))
      2.800     1.000     1.000 peak  3987 spectrum    1 weight  0.10000E+01 volume  0.17940E-02 ppm1      6.821 ppm2      0.881 CV     1
 OR { 3987}
   (  segid "    " and resid 75   and name HD% )
   (( segid "    " and resid 76   and name HG12))
 ASSI { 3988}
   (  segid "    " and resid 75   and name HD% )
   (  segid "    " and resid 66   and name HD2%)
      3.200     1.300     1.300 peak  3988 spectrum    1 weight  0.10000E+01 volume  0.37070E-02 ppm1      6.821 ppm2      0.596 CV     1
 OR { 3988}
   (  segid "    " and resid 75   and name HD% )
   (  segid "    " and resid 76   and name HD1%)
 OR { 3988}
   (  segid "    " and resid 75   and name HD% )
   (  segid "    " and resid 58   and name HD1%)
 ASSI { 3991}
   (  segid "    " and resid 75   and name HE% )
   (( segid "    " and resid 79   and name HB2 ))
      3.400     1.500     1.500 peak  3991 spectrum    1 weight  0.10000E+01 volume  0.10088E-02 ppm1      6.552 ppm2      2.520 CV     1
 OR { 3991}
   (  segid "    " and resid 75   and name HE% )
   (( segid "    " and resid 78   and name HB1 ))
 ASSI { 3992}
   (  segid "    " and resid 75   and name HE% )
   (  segid "    " and resid 56   and name HG1%)
      3.300     1.400     1.400 peak  3992 spectrum    1 weight  0.10000E+01 volume  0.22358E-02 ppm1      6.552 ppm2      0.945 CV     1
 OR { 3992}
   (  segid "    " and resid 75   and name HE% )
   (  segid "    " and resid 56   and name HG2%)
 OR { 3992}
   (  segid "    " and resid 75   and name HE% )
   (( segid "    " and resid 76   and name HG12))
 ASSI { 3993}
   (  segid "    " and resid 75   and name HE% )
   (  segid "    " and resid 58   and name HD1%)
      3.700     1.700     1.700 peak  3993 spectrum    1 weight  0.10000E+01 volume  0.29458E-02 ppm1      6.552 ppm2      0.584 CV     1
 OR { 3993}
   (  segid "    " and resid 75   and name HE% )
   (  segid "    " and resid 76   and name HD1%)
 ASSI { 3998}
   (  segid "    " and resid 75   and name HE% )
   (( segid "    " and resid 76   and name HN  ))
      5.200     3.400     0.800 peak  3998 spectrum    1 weight  0.10000E+01 volume  0.35737E-03 ppm1      6.549 ppm2      8.502 CV     1
 OR { 3998}
   (  segid "    " and resid 75   and name HE% )
   (( segid "    " and resid 77   and name HN  ))
 ASSI { 4002}
   (( segid "    " and resid 30   and name HD1 ))
   (( segid "    " and resid 30   and name HN  ))
      4.100     2.100     1.900 peak  4002 spectrum    1 weight  0.10000E+01 volume  0.64059E-03 ppm1      1.568 ppm2      7.490 CV     1
 OR { 4002}
   (( segid "    " and resid 7    and name HG11))
   (  segid "    " and resid 54   and name HD% )
 OR { 4002}
   (( segid "    " and resid 7    and name HG11))
   (( segid "    " and resid 54   and name HZ  ))
 OR { 4002}
   (( segid "    " and resid 30   and name HD1 ))
   (( segid "    " and resid 36   and name HN  ))
 ASSI { 4003}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 4    and name HN  ))
      2.400     0.700     0.700 peak  4003 spectrum    1 weight  0.10000E+01 volume  0.58417E-02 ppm1      2.002 ppm2      9.244 CV     1
 OR { 4003}
   (( segid "    " and resid 24   and name HB1 ))
   (( segid "    " and resid 24   and name HN  ))
 OR { 4003}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 24   and name HN  ))
 ASSI { 4004}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name H42A))
      4.100     2.100     1.900 peak  4004 spectrum    1 weight  0.10000E+01 volume  0.31761E-03 ppm1      4.145 ppm2      3.193 CV     1
 OR { 4004}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name H42B))
 OR { 4004}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 32   and name HB1 ))
 ASSI { 4006}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 43   and name HA  ))
      4.300     2.300     1.700 peak  4006 spectrum    1 weight  0.10000E+01 volume  0.80827E-03 ppm1      4.145 ppm2      4.021 CV     1
 OR { 4006}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name H32A))
 OR { 4006}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 42   and name HB1 ))
 OR { 4006}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 64   and name HA  ))
 ASSI { 4007}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 43   and name HA  ))
      5.600     3.900     0.400 peak  4007 spectrum    1 weight  0.10000E+01 volume  0.22447E-03 ppm1      4.145 ppm2      3.959 CV     1
 OR { 4007}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 38   and name HA  ))
 OR { 4007}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name H32A))
 OR { 4007}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 42   and name HB1 ))
 ASSI { 4017}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 57   and name HD2 ))
      4.500     2.600     1.500 peak  4017 spectrum    1 weight  0.10000E+01 volume  0.28490E-03 ppm1      2.484 ppm2      1.675 CV     1
 OR { 4017}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 57   and name HB2 ))
 OR { 4017}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 57   and name HD1 ))
 OR { 4017}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 57   and name HB1 ))
 OR { 4017}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 58   and name HB  ))
 ASSI { 4018}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 57   and name HB2 ))
      5.400     3.700     0.600 peak  4018 spectrum    1 weight  0.10000E+01 volume  0.32047E-03 ppm1      2.111 ppm2      1.673 CV     1
 OR { 4018}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 57   and name HD2 ))
 OR { 4018}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 57   and name HD1 ))
 OR { 4018}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 57   and name HB1 ))
 OR { 4018}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 58   and name HB  ))
 OR { 4018}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 77   and name HB2 ))
 ASSI { 4019}
   (( segid "    " and resid 6    and name HB1 ))
   (  segid "    " and resid 73   and name HG2%)
      5.000     3.200     1.000 peak  4019 spectrum    1 weight  0.10000E+01 volume  0.30387E-03 ppm1      2.476 ppm2      1.114 CV     1
 OR { 4019}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 53   and name HB2 ))
 ASSI { 4020}
   (( segid "    " and resid 6    and name HB2 ))
   (  segid "    " and resid 3    and name HG2%)
      5.500     3.700     0.500 peak  4020 spectrum    1 weight  0.10000E+01 volume  0.11462E-03 ppm1      2.117 ppm2      1.358 CV     1
 OR { 4020}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 57   and name HG1 ))
 OR { 4020}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 57   and name HG2 ))
 ASSI { 4021}
   (( segid "    " and resid 51   and name HB2 ))
   (  segid "    " and resid 48   and name HG2%)
      5.200     3.400     0.800 peak  4021 spectrum    1 weight  0.10000E+01 volume  0.10611E-03 ppm1      2.103 ppm2      1.114 CV     1
 OR { 4021}
   (( segid "    " and resid 6    and name HB2 ))
   (  segid "    " and resid 73   and name HG2%)
 OR { 4021}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 53   and name HB2 ))
 ASSI { 4022}
   (( segid "    " and resid 51   and name HA  ))
   (  segid "    " and resid 48   and name HG2%)
      5.200     3.300     0.800 peak  4022 spectrum    1 weight  0.10000E+01 volume  0.18262E-03 ppm1      4.190 ppm2      1.107 CV     1
 OR { 4022}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 53   and name HB2 ))
 OR { 4022}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 14   and name HG12))
 ASSI { 4023}
   (( segid "    " and resid 6    and name HB1 ))
   (  segid "    " and resid 7    and name HD1%)
      5.200     3.400     0.800 peak  4023 spectrum    1 weight  0.10000E+01 volume  0.38655E-03 ppm1      2.493 ppm2      0.575 CV     1
 OR { 4023}
   (( segid "    " and resid 51   and name HB1 ))
   (  segid "    " and resid 58   and name HD1%)
 OR { 4023}
   (( segid "    " and resid 6    and name HB1 ))
   (  segid "    " and resid 7    and name HG2%)
 OR { 4023}
   (( segid "    " and resid 6    and name HB1 ))
   (  segid "    " and resid 76   and name HG2%)
 ASSI { 4025}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 10   and name HN  ))
      5.100     3.300     0.900 peak  4025 spectrum    1 weight  0.10000E+01 volume  0.21520E-03 ppm1      1.686 ppm2      8.395 CV     1
 OR { 4025}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 8    and name HN  ))
 OR { 4025}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 17   and name HN  ))
 ASSI { 4027}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 18   and name HG11))
      3.000     1.100     1.100 peak  4027 spectrum    1 weight  0.10000E+01 volume  0.21977E-02 ppm1      1.066 ppm2      1.648 CV     1
 OR { 4027}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 18   and name HB  ))
 OR { 4027}
   (  segid "    " and resid 14   and name HG2%)
   (  segid "    " and resid 12   and name HB% )
 ASSI { 4058}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HD1 ))
      3.300     1.400     1.400 peak  4058 spectrum    1 weight  0.10000E+01 volume  0.18561E-02 ppm1      4.635 ppm2      1.750 CV     1
 OR { 4058}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 28   and name HB1 ))
 OR { 4058}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 41   and name HG  ))
 OR { 4058}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 28   and name HG  ))
 ASSI { 4075}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 27   and name HD1 ))
      2.900     1.100     1.100 peak  4075 spectrum    1 weight  0.10000E+01 volume  0.15695E-02 ppm1      2.063 ppm2      1.737 CV     1
 OR { 4075}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 28   and name HB1 ))
 OR { 4075}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 28   and name HG  ))
 ASSI { 4085}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 30   and name HN  ))
      4.700     2.700     1.300 peak  4085 spectrum    1 weight  0.10000E+01 volume  0.35880E-03 ppm1      2.072 ppm2      7.507 CV     1
 OR { 4085}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 26   and name HN  ))
 ASSI { 4096}
   (( segid "    " and resid 29   and name HB1 ))
   (  segid "    " and resid 68   and name HG2%)
      5.000     3.200     1.000 peak  4096 spectrum    1 weight  0.10000E+01 volume  0.26565E-03 ppm1      2.785 ppm2      1.060 CV     1
 OR { 4096}
   (( segid "    " and resid 29   and name HB1 ))
   (  segid "    " and resid 8    and name HG2%)
 ASSI { 4099}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 8    and name HN  ))
      2.300     0.600     0.600 peak  4099 spectrum    1 weight  0.10000E+01 volume  0.82992E-02 ppm1      1.048 ppm2      8.393 CV     1
 OR { 4099}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 7    and name HN  ))
 ASSI { 4105}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 40   and name H3B ))
      5.100     3.200     0.900 peak  4105 spectrum    1 weight  0.10000E+01 volume  0.30332E-03 ppm1      1.589 ppm2      1.088 CV     1
 OR { 4105}
   (  segid "    " and resid 72   and name HB% )
   (  segid "    " and resid 73   and name HG2%)
 ASSI { 4110}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
      4.600     2.600     1.400 peak  4110 spectrum    1 weight  0.10000E+01 volume  0.31543E-03 ppm1      4.438 ppm2      8.410 CV     1
 OR { 4110}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
 ASSI { 4120}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 7    and name HD1%)
      4.500     2.500     1.500 peak  4120 spectrum    1 weight  0.10000E+01 volume  0.58778E-03 ppm1      4.439 ppm2      0.537 CV     1
 OR { 4120}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 76   and name HG2%)
 ASSI { 4128}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 7    and name HN  ))
      5.200     3.400     0.800 peak  4128 spectrum    1 weight  0.10000E+01 volume  0.38692E-03 ppm1      1.366 ppm2      8.375 CV     1
 OR { 4128}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 8    and name HN  ))
 ASSI { 4131}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 6    and name HB1 ))
      4.300     2.400     1.700 peak  4131 spectrum    1 weight  0.10000E+01 volume  0.87551E-03 ppm1      1.368 ppm2      2.487 CV     1
 OR { 4131}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 5    and name HG1 ))
 ASSI { 4132}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 6    and name HG2 ))
      4.900     3.100     1.100 peak  4132 spectrum    1 weight  0.10000E+01 volume  0.28059E-03 ppm1      1.362 ppm2      2.345 CV     1
 OR { 4132}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 5    and name HG2 ))
 ASSI { 4138}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 45   and name HN  ))
      4.100     2.100     1.900 peak  4138 spectrum    1 weight  0.10000E+01 volume  0.81393E-03 ppm1      0.942 ppm2      6.983 CV     1
 OR { 4138}
   (  segid "    " and resid 38   and name HG1%)
   (  segid "    " and resid 32   and name HE% )
 OR { 4138}
   (  segid "    " and resid 38   and name HG2%)
   (  segid "    " and resid 32   and name HE% )
 ASSI { 4139}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 36   and name HN  ))
      3.900     1.900     1.900 peak  4139 spectrum    1 weight  0.10000E+01 volume  0.30542E-03 ppm1      0.949 ppm2      7.456 CV     1
 OR { 4139}
   (  segid "    " and resid 38   and name HG1%)
   (( segid "    " and resid 36   and name HN  ))
 OR { 4139}
   (  segid "    " and resid 46   and name HG2%)
   (  segid "    " and resid 54   and name HD% )
 ASSI { 4150}
   (( segid "    " and resid 4    and name HG1 ))
   (( segid "    " and resid 28   and name HG  ))
      5.700     4.000     0.300 peak  4150 spectrum    1 weight  0.10000E+01 volume  0.38363E-03 ppm1      2.228 ppm2      1.784 CV     1
 OR { 4150}
   (( segid "    " and resid 4    and name HG1 ))
   (( segid "    " and resid 7    and name HB  ))
 OR { 4150}
   (( segid "    " and resid 4    and name HG1 ))
   (( segid "    " and resid 77   and name HB1 ))
 ASSI { 4151}
   (( segid "    " and resid 4    and name HG2 ))
   (  segid "    " and resid 28   and name HD2%)
      4.800     2.900     1.200 peak  4151 spectrum    1 weight  0.10000E+01 volume  0.20016E-03 ppm1      2.156 ppm2      0.915 CV     1
 OR { 4151}
   (( segid "    " and resid 4    and name HG2 ))
   (  segid "    " and resid 8    and name HG1%)
 ASSI { 4161}
   (  segid "    " and resid 9    and name HB% )
   (( segid "    " and resid 10   and name HA2 ))
      4.100     2.100     1.900 peak  4161 spectrum    1 weight  0.10000E+01 volume  0.10048E-02 ppm1      1.522 ppm2      3.869 CV     1
 OR { 4161}
   (  segid "    " and resid 9    and name HB% )
   (( segid "    " and resid 7    and name HA  ))
 OR { 4161}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 7    and name HA  ))
 OR { 4161}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 10   and name HA2 ))
 OR { 4161}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 53   and name HA  ))
 ASSI { 4162}
   (  segid "    " and resid 9    and name HB% )
   (( segid "    " and resid 10   and name HA1 ))
      4.100     2.100     1.900 peak  4162 spectrum    1 weight  0.10000E+01 volume  0.89757E-03 ppm1      1.524 ppm2      4.036 CV     1
 OR { 4162}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 10   and name HA1 ))
 ASSI { 4163}
   (  segid "    " and resid 9    and name HB% )
   (( segid "    " and resid 4    and name HE22))
      3.400     3.400     2.600 peak  4163 spectrum    1 weight  0.10000E+01 volume  0.84586E-03 ppm1      1.520 ppm2      7.547 CV     1
 OR { 4163}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 63   and name HN  ))
 OR { 4163}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 62   and name HN  ))
 ASSI { 4166}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 36   and name HA  ))
      4.900     2.900     1.100 peak  4166 spectrum    1 weight  0.10000E+01 volume  0.79603E-03 ppm1      1.006 ppm2      4.384 CV     1
 OR { 4166}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 68   and name HB  ))
 ASSI { 4172}
   (( segid "    " and resid 41   and name HG  ))
   (( segid "    " and resid 40   and name HB1 ))
      4.400     2.400     1.600 peak  4172 spectrum    1 weight  0.10000E+01 volume  0.32419E-03 ppm1      1.725 ppm2      4.156 CV     1
 OR { 4172}
   (( segid "    " and resid 41   and name HG  ))
   (( segid "    " and resid 40   and name HB2 ))
 OR { 4172}
   (( segid "    " and resid 41   and name HG  ))
   (( segid "    " and resid 40   and name HA  ))
 OR { 4172}
   (( segid "    " and resid 28   and name HG  ))
   (( segid "    " and resid 73   and name HB  ))
 ASSI { 4173}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 40   and name H4A ))
      3.000     1.100     1.100 peak  4173 spectrum    1 weight  0.10000E+01 volume  0.22562E-02 ppm1      0.412 ppm2      0.853 CV     1
 OR { 4173}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 40   and name H4B ))
 OR { 4173}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 58   and name HG12))
 OR { 4173}
   (  segid "    " and resid 66   and name HD1%)
   (  segid "    " and resid 11   and name HD1%)
 ASSI { 4176}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 53   and name HG2 ))
      4.000     2.000     2.000 peak  4176 spectrum    1 weight  0.10000E+01 volume  0.10367E-03 ppm1      0.534 ppm2      0.725 CV     1
 OR { 4176}
   (  segid "    " and resid 76   and name HG2%)
   (  segid "    " and resid 14   and name HD1%)
 ASSI { 4177}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 58   and name HG12))
      5.400     3.600     0.600 peak  4177 spectrum    1 weight  0.10000E+01 volume  0.24999E-03 ppm1      0.534 ppm2      0.805 CV     1
 OR { 4177}
   (  segid "    " and resid 76   and name HG2%)
   (  segid "    " and resid 11   and name HD1%)
 OR { 4177}
   (  segid "    " and resid 76   and name HG2%)
   (  segid "    " and resid 77   and name HD2%)
 OR { 4177}
   (  segid "    " and resid 76   and name HG2%)
   (  segid "    " and resid 77   and name HD1%)
 ASSI { 4180}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      4.100     2.100     1.900 peak  4180 spectrum    1 weight  0.10000E+01 volume  0.55887E-03 ppm1      4.248 ppm2      8.200 CV     1
 OR { 4180}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
 ASSI { 4181}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 48   and name HG1%)
      2.900     1.100     1.100 peak  4181 spectrum    1 weight  0.10000E+01 volume  0.27481E-02 ppm1      1.535 ppm2      0.965 CV     1
 OR { 4181}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 46   and name HG2%)
 OR { 4181}
   (  segid "    " and resid 1    and name HB% )
   (  segid "    " and resid 56   and name HG2%)
 ASSI { 4188}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 15   and name HA  ))
      3.500     3.500     2.500 peak  4188 spectrum    1 weight  0.10000E+01 volume  0.24472E-03 ppm1      1.455 ppm2      3.592 CV     1
 OR { 4188}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 44   and name HA  ))
 ASSI { 4192}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 32   and name HB1 ))
      2.700     0.900     0.900 peak  4192 spectrum    1 weight  0.10000E+01 volume  0.30689E-02 ppm1      1.451 ppm2      3.174 CV     1
 OR { 4192}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 32   and name HB2 ))
 OR { 4192}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name H42A))
 OR { 4192}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name H42B))
 ASSI { 4196}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 38   and name HN  ))
      2.900     1.100     1.100 peak  4196 spectrum    1 weight  0.10000E+01 volume  0.70243E-03 ppm1      1.450 ppm2      8.081 CV     1
 OR { 4196}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 41   and name HN  ))
 OR { 4196}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name H41A))
 OR { 4196}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 46   and name HN  ))
 ASSI { 4197}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 47   and name HN  ))
      2.900     2.900     3.100 peak  4197 spectrum    1 weight  0.10000E+01 volume  0.74030E-03 ppm1      1.450 ppm2      7.996 CV     1
 OR { 4197}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name H36A))
 ASSI { 4202}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 40   and name H6% )
      2.300     2.300     3.700 peak  4202 spectrum    1 weight  0.10000E+01 volume  0.33952E-02 ppm1      1.449 ppm2      0.657 CV     1
 OR { 4202}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 46   and name HG1%)
 OR { 4202}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 36   and name HD1%)
 OR { 4202}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 69   and name HG2%)
 ASSI { 4203}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 69   and name HG1%)
      3.000     3.000     3.000 peak  4203 spectrum    1 weight  0.10000E+01 volume  0.58870E-03 ppm1      1.448 ppm2      0.401 CV     1
 OR { 4203}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 66   and name HD1%)
 ASSI { 4205}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name H5B ))
      3.000     1.100     1.100 peak  4205 spectrum    1 weight  0.10000E+01 volume  0.21488E-02 ppm1      1.452 ppm2      1.008 CV     1
 OR { 4205}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 15   and name HG1%)
 OR { 4205}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name H5A ))
 ASSI { 4206}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name H4A ))
      2.400     2.400     3.600 peak  4206 spectrum    1 weight  0.10000E+01 volume  0.71280E-02 ppm1      1.451 ppm2      0.877 CV     1
 OR { 4206}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 63   and name HG2%)
 OR { 4206}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name H4B ))
 ASSI { 4207}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name H4A ))
      2.800     1.000     1.000 peak  4207 spectrum    1 weight  0.10000E+01 volume  0.26829E-02 ppm1      1.447 ppm2      0.811 CV     1
 OR { 4207}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 63   and name HG1%)
 OR { 4207}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name H4B ))
 ASSI { 4208}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 38   and name HG1%)
      2.300     0.700     0.700 peak  4208 spectrum    1 weight  0.10000E+01 volume  0.65265E-02 ppm1      1.451 ppm2      0.929 CV     1
 OR { 4208}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 38   and name HG2%)
 OR { 4208}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name H5B ))
 ASSI {   16}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
      3.100     1.200     1.200 peak    16 spectrum    1 weight  0.10000E+01 volume  0.15027E-02 ppm1      8.385 ppm2      2.061 CV     1
 OR {   16}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
 ASSI {   72}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 80   and name HB1 ))
      5.300     3.500     0.700 peak    72 spectrum    1 weight  0.10000E+01 volume  0.15256E-03 ppm1      8.846 ppm2      2.334 CV     1
 OR {   72}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 6    and name HG2 ))
 ASSI {   76}
   (( segid "    " and resid 2    and name HN  ))
   (  segid "    " and resid 1    and name HB% )
      2.500     0.800     0.800 peak    76 spectrum    1 weight  0.10000E+01 volume  0.47637E-02 ppm1      8.840 ppm2      1.563 CV     1
 OR {   76}
   (( segid "    " and resid 2    and name HN  ))
   (  segid "    " and resid 2    and name HB% )
 ASSI {   80}
   (( segid "    " and resid 2    and name HN  ))
   (  segid "    " and resid 7    and name HD1%)
      4.900     3.000     1.100 peak    80 spectrum    1 weight  0.10000E+01 volume  0.37652E-03 ppm1      8.840 ppm2      0.532 CV     1
 OR {   80}
   (( segid "    " and resid 2    and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
 OR {   80}
   (( segid "    " and resid 2    and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
 ASSI {   87}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 3    and name HN  ))
      5.300     3.600     0.700 peak    87 spectrum    1 weight  0.10000E+01 volume  0.17797E-03 ppm1      8.838 ppm2      8.547 CV     1
 OR {   87}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
 ASSI {  104}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 2    and name HB% )
      2.300     0.700     0.700 peak   104 spectrum    1 weight  0.10000E+01 volume  0.37542E-02 ppm1      8.552 ppm2      1.564 CV     1
 OR {  104}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 7    and name HG11))
 ASSI {  106}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 7    and name HD1%)
      5.100     3.200     0.900 peak   106 spectrum    1 weight  0.10000E+01 volume  0.28925E-03 ppm1      8.553 ppm2      0.531 CV     1
 OR {  106}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
 OR {  106}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
 ASSI {  114}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 7    and name HN  ))
      3.000     1.100     1.100 peak   114 spectrum    1 weight  0.10000E+01 volume  0.15495E-02 ppm1      8.552 ppm2      8.378 CV     1
 OR {  114}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
 ASSI {  116}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      4.000     2.000     2.000 peak   116 spectrum    1 weight  0.10000E+01 volume  0.74597E-03 ppm1      8.554 ppm2      7.695 CV     1
 OR {  116}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 80   and name HE22))
 OR {  116}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 80   and name HE21))
 ASSI {  121}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 5    and name HG1 ))
      5.600     3.900     0.400 peak   121 spectrum    1 weight  0.10000E+01 volume  0.17004E-03 ppm1      9.238 ppm2      2.494 CV     1
 OR {  121}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 6    and name HB1 ))
 ASSI {  125}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 7    and name HB  ))
      5.500     3.700     0.500 peak   125 spectrum    1 weight  0.10000E+01 volume  0.22914E-03 ppm1      9.232 ppm2      1.775 CV     1
 OR {  125}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 77   and name HB1 ))
 OR {  125}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 28   and name HB1 ))
 OR {  125}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 76   and name HB  ))
 ASSI {  127}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 7    and name HG11))
      5.300     3.500     0.700 peak   127 spectrum    1 weight  0.10000E+01 volume  0.21937E-03 ppm1      9.236 ppm2      1.545 CV     1
 OR {  127}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 2    and name HB% )
 OR {  127}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 1    and name HB% )
 ASSI {  136}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 7    and name HD1%)
      4.700     2.700     1.300 peak   136 spectrum    1 weight  0.10000E+01 volume  0.41700E-03 ppm1      9.237 ppm2      0.535 CV     1
 OR {  136}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
 OR {  136}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
 ASSI {  149}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 7    and name HN  ))
      5.000     3.200     1.000 peak   149 spectrum    1 weight  0.10000E+01 volume  0.16530E-03 ppm1      9.230 ppm2      8.393 CV     1
 OR {  149}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
 ASSI {  156}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 7    and name HN  ))
      4.800     2.900     1.200 peak   156 spectrum    1 weight  0.10000E+01 volume  0.27610E-03 ppm1      8.859 ppm2      8.366 CV     1
 OR {  156}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
 ASSI {  166}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HG1 ))
      3.100     1.200     1.200 peak   166 spectrum    1 weight  0.10000E+01 volume  0.12436E-02 ppm1      8.864 ppm2      2.488 CV     1
 OR {  166}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 6    and name HB1 ))
 ASSI {  169}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
      2.700     0.900     0.900 peak   169 spectrum    1 weight  0.10000E+01 volume  0.18790E-02 ppm1      8.864 ppm2      2.166 CV     1
 OR {  169}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 6    and name HB2 ))
 OR {  169}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HG2 ))
 ASSI {  170}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HB1 ))
      3.200     1.300     1.300 peak   170 spectrum    1 weight  0.10000E+01 volume  0.48944E-02 ppm1      8.860 ppm2      2.081 CV     1
 OR {  170}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HB2 ))
 OR {  170}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 6    and name HB2 ))
 ASSI {  171}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HB2 ))
      2.700     0.900     0.900 peak   171 spectrum    1 weight  0.10000E+01 volume  0.35571E-02 ppm1      8.864 ppm2      2.003 CV     1
 OR {  171}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HB2 ))
 ASSI {  176}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 7    and name HG11))
      5.600     3.900     0.400 peak   176 spectrum    1 weight  0.10000E+01 volume  0.26336E-03 ppm1      8.863 ppm2      1.538 CV     1
 OR {  176}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 9    and name HB% )
 OR {  176}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 2    and name HB% )
 ASSI {  177}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 7    and name HD1%)
      5.700     4.100     0.300 peak   177 spectrum    1 weight  0.10000E+01 volume  0.19382E-03 ppm1      8.865 ppm2      0.529 CV     1
 OR {  177}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
 OR {  177}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
 ASSI {  181}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HB1 ))
      2.600     0.800     0.800 peak   181 spectrum    1 weight  0.10000E+01 volume  0.45934E-02 ppm1      7.694 ppm2      2.489 CV     1
 OR {  181}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HG1 ))
 ASSI {  184}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HB2 ))
      2.400     0.700     0.700 peak   184 spectrum    1 weight  0.10000E+01 volume  0.37079E-02 ppm1      7.695 ppm2      2.102 CV     1
 OR {  184}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HB1 ))
 ASSI {  185}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HB2 ))
      3.200     1.300     1.300 peak   185 spectrum    1 weight  0.10000E+01 volume  0.13139E-02 ppm1      7.694 ppm2      1.984 CV     1
 OR {  185}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 8    and name HB  ))
 ASSI {  186}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 7    and name HB  ))
      4.600     2.600     1.400 peak   186 spectrum    1 weight  0.10000E+01 volume  0.38823E-03 ppm1      7.695 ppm2      1.783 CV     1
 OR {  186}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 77   and name HB1 ))
 OR {  186}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 76   and name HB  ))
 ASSI {  187}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 7    and name HG11))
      4.400     2.400     1.600 peak   187 spectrum    1 weight  0.10000E+01 volume  0.90259E-03 ppm1      7.694 ppm2      1.540 CV     1
 OR {  187}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 2    and name HB% )
 OR {  187}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 9    and name HB% )
 ASSI {  189}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 7    and name HD1%)
      5.400     3.600     0.600 peak   189 spectrum    1 weight  0.10000E+01 volume  0.32256E-03 ppm1      7.694 ppm2      0.542 CV     1
 OR {  189}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
 OR {  189}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
 ASSI {  197}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      3.400     1.500     1.500 peak   197 spectrum    1 weight  0.10000E+01 volume  0.94453E-03 ppm1      7.694 ppm2      3.935 CV     1
 OR {  197}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
 ASSI {  198}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      4.100     2.100     1.900 peak   198 spectrum    1 weight  0.10000E+01 volume  0.30321E-03 ppm1      7.696 ppm2      3.701 CV     1
 OR {  198}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI {  210}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 7    and name HN  ))
      2.400     0.700     0.700 peak   210 spectrum    1 weight  0.10000E+01 volume  0.42670E-02 ppm1      7.695 ppm2      8.396 CV     1
 OR {  210}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
 ASSI {  220}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      2.500     0.800     0.800 peak   220 spectrum    1 weight  0.10000E+01 volume  0.38859E-02 ppm1      8.400 ppm2      7.693 CV     1
 OR {  220}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
 OR {  220}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 80   and name HE22))
 OR {  220}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 80   and name HE21))
 ASSI {  222}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 54   and name HD% )
      5.300     3.500     0.700 peak   222 spectrum    1 weight  0.10000E+01 volume  0.31301E-03 ppm1      8.393 ppm2      7.517 CV     1
 OR {  222}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 4    and name HE22))
 ASSI {  225}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 4    and name HN  ))
      5.100     3.300     0.900 peak   225 spectrum    1 weight  0.10000E+01 volume  0.15165E-03 ppm1      8.403 ppm2      9.240 CV     1
 OR {  225}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
 ASSI {  228}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 5    and name HN  ))
      5.300     3.500     0.700 peak   228 spectrum    1 weight  0.10000E+01 volume  0.24333E-03 ppm1      8.397 ppm2      8.879 CV     1
 OR {  228}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 2    and name HN  ))
 ASSI {  230}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 4    and name HE21))
      6.000     5.000     0.000 peak   230 spectrum    1 weight  0.10000E+01 volume  0.52548E-04 ppm1      8.403 ppm2      6.865 CV     1
 OR {  230}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 75   and name HD% )
 ASSI {  232}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      5.400     3.600     0.600 peak   232 spectrum    1 weight  0.10000E+01 volume  0.13493E-03 ppm1      8.391 ppm2      4.443 CV     1
 OR {  232}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
 ASSI {  235}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 10   and name HA1 ))
      6.000     4.800     0.000 peak   235 spectrum    1 weight  0.10000E+01 volume  0.10436E-03 ppm1      8.401 ppm2      4.040 CV     1
 OR {  235}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 1    and name HA  ))
 ASSI {  236}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      2.600     0.900     0.900 peak   236 spectrum    1 weight  0.10000E+01 volume  0.23174E-02 ppm1      8.401 ppm2      3.885 CV     1
 OR {  236}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
 ASSI {  238}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      3.600     1.700     1.700 peak   238 spectrum    1 weight  0.10000E+01 volume  0.11095E-02 ppm1      8.399 ppm2      3.704 CV     1
 OR {  238}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI {  246}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 8    and name HB  ))
      4.400     2.400     1.600 peak   246 spectrum    1 weight  0.10000E+01 volume  0.53356E-03 ppm1      8.399 ppm2      2.019 CV     1
 OR {  246}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 11   and name HG  ))
 OR {  246}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 4    and name HB2 ))
 OR {  246}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 76   and name HG11))
 ASSI {  248}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HB  ))
      2.300     0.600     0.600 peak   248 spectrum    1 weight  0.10000E+01 volume  0.48843E-02 ppm1      8.400 ppm2      1.784 CV     1
 OR {  248}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 76   and name HB  ))
 ASSI {  251}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HG11))
      2.000     0.500     0.500 peak   251 spectrum    1 weight  0.10000E+01 volume  0.46454E-02 ppm1      8.399 ppm2      1.547 CV     1
 OR {  251}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 2    and name HB% )
 ASSI {  257}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 8    and name HG1%)
      5.900     4.300     0.100 peak   257 spectrum    1 weight  0.10000E+01 volume  0.21599E-03 ppm1      8.400 ppm2      0.925 CV     1
 OR {  257}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 76   and name HG12))
 OR {  257}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 56   and name HG1%)
 ASSI {  258}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
      4.800     2.800     1.200 peak   258 spectrum    1 weight  0.10000E+01 volume  0.40555E-03 ppm1      8.400 ppm2      0.824 CV     1
 OR {  258}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 11   and name HD1%)
 OR {  258}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
 OR {  258}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 11   and name HD2%)
 ASSI {  259}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 76   and name HD1%)
      6.000     5.300     0.000 peak   259 spectrum    1 weight  0.10000E+01 volume  0.15655E-03 ppm1      8.400 ppm2      0.632 CV     1
 OR {  259}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 40   and name H6% )
 OR {  259}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 53   and name HG2 ))
 ASSI {  260}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 7    and name HD1%)
      3.500     1.500     1.500 peak   260 spectrum    1 weight  0.10000E+01 volume  0.26656E-02 ppm1      8.400 ppm2      0.540 CV     1
 OR {  260}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
 OR {  260}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
 ASSI {  262}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
      3.500     1.500     1.500 peak   262 spectrum    1 weight  0.10000E+01 volume  0.17297E-02 ppm1      8.391 ppm2      0.555 CV     1
 OR {  262}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 7    and name HD1%)
 OR {  262}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
 ASSI {  265}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 73   and name HG2%)
      3.600     1.600     1.600 peak   265 spectrum    1 weight  0.10000E+01 volume  0.13032E-02 ppm1      8.388 ppm2      1.127 CV     1
 OR {  265}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 44   and name HG2%)
 ASSI {  267}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 38   and name HG1%)
      3.200     1.300     1.300 peak   267 spectrum    1 weight  0.10000E+01 volume  0.37521E-02 ppm1      8.380 ppm2      0.912 CV     1
 OR {  267}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 8    and name HG1%)
 OR {  267}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
 OR {  267}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
 OR {  267}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 47   and name HG2%)
 OR {  267}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 40   and name H31%)
 OR {  267}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
 OR {  267}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 63   and name HG2%)
 ASSI {  268}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 18   and name HD1%)
      4.600     2.600     1.400 peak   268 spectrum    1 weight  0.10000E+01 volume  0.60217E-03 ppm1      8.387 ppm2      0.808 CV     1
 OR {  268}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 11   and name HD1%)
 OR {  268}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 63   and name HG1%)
 OR {  268}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 40   and name H4A ))
 OR {  268}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
 OR {  268}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 40   and name H4B ))
 ASSI {  271}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HB  ))
      2.400     0.700     0.700 peak   271 spectrum    1 weight  0.10000E+01 volume  0.33244E-02 ppm1      8.391 ppm2      1.782 CV     1
 OR {  271}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 76   and name HB  ))
 ASSI {  276}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
      3.300     1.300     1.300 peak   276 spectrum    1 weight  0.10000E+01 volume  0.88505E-03 ppm1      8.389 ppm2      3.703 CV     1
 OR {  276}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
 OR {  276}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI {  277}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      2.500     0.800     0.800 peak   277 spectrum    1 weight  0.10000E+01 volume  0.36392E-02 ppm1      8.392 ppm2      7.727 CV     1
 OR {  277}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
 ASSI {  280}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 5    and name HN  ))
      4.000     2.000     2.000 peak   280 spectrum    1 weight  0.10000E+01 volume  0.63593E-03 ppm1      8.390 ppm2      8.837 CV     1
 OR {  280}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
 OR {  280}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 2    and name HN  ))
 ASSI {  284}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      5.200     3.400     0.800 peak   284 spectrum    1 weight  0.10000E+01 volume  0.14376E-03 ppm1      8.393 ppm2      9.232 CV     1
 OR {  284}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 4    and name HN  ))
 ASSI {  290}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      2.200     0.600     0.600 peak   290 spectrum    1 weight  0.10000E+01 volume  0.76058E-02 ppm1      7.729 ppm2      8.391 CV     1
 OR {  290}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
 ASSI {  311}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      3.800     1.800     1.800 peak   311 spectrum    1 weight  0.10000E+01 volume  0.64954E-03 ppm1      7.729 ppm2      3.933 CV     1
 OR {  311}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
 ASSI {  312}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      3.900     1.900     1.900 peak   312 spectrum    1 weight  0.10000E+01 volume  0.88684E-03 ppm1      7.729 ppm2      3.896 CV     1
 OR {  312}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
 OR {  312}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 10   and name HA2 ))
 ASSI {  315}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 8    and name HG1%)
      3.300     1.300     1.300 peak   315 spectrum    1 weight  0.10000E+01 volume  0.21832E-02 ppm1      7.729 ppm2      0.895 CV     1
 OR {  315}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 11   and name HD1%)
 OR {  315}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 11   and name HD2%)
 ASSI {  317}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 26   and name HG1%)
      6.000     4.700     0.000 peak   317 spectrum    1 weight  0.10000E+01 volume  0.12065E-03 ppm1      7.732 ppm2      0.719 CV     1
 OR {  317}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 14   and name HD1%)
 ASSI {  319}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
      5.100     3.300     0.900 peak   319 spectrum    1 weight  0.10000E+01 volume  0.26114E-03 ppm1      7.729 ppm2      0.558 CV     1
 OR {  319}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 7    and name HD1%)
 OR {  319}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
 ASSI {  321}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 6    and name HB2 ))
      4.100     2.100     1.900 peak   321 spectrum    1 weight  0.10000E+01 volume  0.43702E-03 ppm1      7.730 ppm2      2.119 CV     1
 OR {  321}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 5    and name HB1 ))
 OR {  321}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
 OR {  321}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 4    and name HG2 ))
 ASSI {  325}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 7    and name HB  ))
      4.800     2.900     1.200 peak   325 spectrum    1 weight  0.10000E+01 volume  0.29882E-03 ppm1      7.721 ppm2      1.768 CV     1
 OR {  325}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 76   and name HB  ))
 ASSI {  327}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 2    and name HB% )
      4.800     2.900     1.200 peak   327 spectrum    1 weight  0.10000E+01 volume  0.43978E-03 ppm1      7.727 ppm2      1.609 CV     1
 OR {  327}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 72   and name HB% )
 OR {  327}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
 ASSI {  333}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 13   and name HG2 ))
      4.900     3.000     1.100 peak   333 spectrum    1 weight  0.10000E+01 volume  0.21340E-03 ppm1      7.731 ppm2      2.342 CV     1
 OR {  333}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 26   and name HB  ))
 OR {  333}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 13   and name HB1 ))
 ASSI {  334}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 13   and name HG2 ))
      6.000     4.700     0.000 peak   334 spectrum    1 weight  0.10000E+01 volume  0.69608E-04 ppm1      7.732 ppm2      2.280 CV     1
 OR {  334}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 13   and name HB1 ))
 OR {  334}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 69   and name HB  ))
 OR {  334}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 15   and name HB  ))
 ASSI {  335}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
      4.600     2.600     1.400 peak   335 spectrum    1 weight  0.10000E+01 volume  0.39224E-03 ppm1      8.388 ppm2      0.557 CV     1
 OR {  335}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 7    and name HD1%)
 OR {  335}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
 ASSI {  336}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 8    and name HG1%)
      4.900     3.000     1.100 peak   336 spectrum    1 weight  0.10000E+01 volume  0.49245E-03 ppm1      8.391 ppm2      0.879 CV     1
 OR {  336}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 11   and name HD1%)
 OR {  336}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 11   and name HD2%)
 OR {  336}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 53   and name HG1 ))
 ASSI {  340}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 13   and name HG2 ))
      5.000     3.100     1.000 peak   340 spectrum    1 weight  0.10000E+01 volume  0.25554E-03 ppm1      8.388 ppm2      2.303 CV     1
 OR {  340}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 13   and name HB1 ))
 OR {  340}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 26   and name HB  ))
 ASSI {  341}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 13   and name HB2 ))
      5.700     4.000     0.300 peak   341 spectrum    1 weight  0.10000E+01 volume  0.22210E-03 ppm1      8.389 ppm2      2.215 CV     1
 OR {  341}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 15   and name HB  ))
 ASSI {  343}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HG  ))
      4.400     2.400     1.600 peak   343 spectrum    1 weight  0.10000E+01 volume  0.59610E-03 ppm1      8.389 ppm2      2.000 CV     1
 OR {  343}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 8    and name HB  ))
 ASSI {  346}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 7    and name HB  ))
      5.100     3.200     0.900 peak   346 spectrum    1 weight  0.10000E+01 volume  0.18051E-03 ppm1      8.389 ppm2      1.773 CV     1
 OR {  346}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 76   and name HB  ))
 ASSI {  348}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 2    and name HB% )
      5.400     3.700     0.600 peak   348 spectrum    1 weight  0.10000E+01 volume  0.21043E-03 ppm1      8.391 ppm2      1.616 CV     1
 OR {  348}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 72   and name HB% )
 OR {  348}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
 OR {  348}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
 ASSI {  349}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 9    and name HB% )
      2.800     1.000     1.000 peak   349 spectrum    1 weight  0.10000E+01 volume  0.46696E-02 ppm1      8.390 ppm2      1.520 CV     1
 OR {  349}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 7    and name HG11))
 ASSI {  354}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 73   and name HG2%)
      6.000     4.700     0.000 peak   354 spectrum    1 weight  0.10000E+01 volume  0.13105E-03 ppm1      8.395 ppm2      1.109 CV     1
 OR {  354}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
 OR {  354}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 14   and name HG2%)
 ASSI {  355}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 8    and name HG2%)
      5.700     4.000     0.300 peak   355 spectrum    1 weight  0.10000E+01 volume  0.20303E-03 ppm1      8.390 ppm2      1.038 CV     1
 OR {  355}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
 OR {  355}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 14   and name HG12))
 OR {  355}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 14   and name HG2%)
 ASSI {  357}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 26   and name HG1%)
      5.800     4.100     0.200 peak   357 spectrum    1 weight  0.10000E+01 volume  0.15559E-03 ppm1      8.385 ppm2      0.730 CV     1
 OR {  357}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 14   and name HD1%)
 ASSI {  359}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      3.400     1.500     1.500 peak   359 spectrum    1 weight  0.10000E+01 volume  0.12608E-02 ppm1      8.390 ppm2      4.229 CV     1
 OR {  359}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
 ASSI {  361}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      4.700     2.800     1.300 peak   361 spectrum    1 weight  0.10000E+01 volume  0.38755E-03 ppm1      8.388 ppm2      3.963 CV     1
 OR {  361}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
 OR {  361}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
 ASSI {  362}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HA2 ))
      2.500     0.800     0.800 peak   362 spectrum    1 weight  0.10000E+01 volume  0.63616E-02 ppm1      8.390 ppm2      3.875 CV     1
 OR {  362}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
 ASSI {  366}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      3.900     3.900     2.100 peak   366 spectrum    1 weight  0.10000E+01 volume  0.14027E-02 ppm1      8.390 ppm2      8.216 CV     1
 OR {  366}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
 ASSI {  388}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      6.000     4.800     0.000 peak   388 spectrum    1 weight  0.10000E+01 volume  0.74880E-04 ppm1      9.237 ppm2      8.822 CV     1
 OR {  388}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
 OR {  388}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
 ASSI {  394}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      4.600     2.600     1.400 peak   394 spectrum    1 weight  0.10000E+01 volume  0.24427E-03 ppm1      9.236 ppm2      8.204 CV     1
 OR {  394}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
 ASSI {  408}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      2.700     0.900     0.900 peak   408 spectrum    1 weight  0.10000E+01 volume  0.26886E-02 ppm1      9.235 ppm2      4.252 CV     1
 OR {  408}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
 ASSI {  410}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HA1 ))
      3.100     1.200     1.200 peak   410 spectrum    1 weight  0.10000E+01 volume  0.13058E-02 ppm1      9.236 ppm2      4.061 CV     1
 OR {  410}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
 ASSI {  411}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      5.200     3.400     0.800 peak   411 spectrum    1 weight  0.10000E+01 volume  0.22645E-03 ppm1      9.233 ppm2      3.960 CV     1
 OR {  411}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
 OR {  411}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
 OR {  411}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
 ASSI {  412}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HA2 ))
      3.300     1.300     1.300 peak   412 spectrum    1 weight  0.10000E+01 volume  0.21665E-02 ppm1      9.236 ppm2      3.878 CV     1
 OR {  412}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
 ASSI {  418}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 13   and name HG2 ))
      5.000     3.100     1.000 peak   418 spectrum    1 weight  0.10000E+01 volume  0.19922E-03 ppm1      9.236 ppm2      2.308 CV     1
 OR {  418}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 13   and name HB1 ))
 OR {  418}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 26   and name HB  ))
 OR {  418}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 46   and name HB  ))
 ASSI {  419}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 13   and name HB2 ))
      5.500     3.800     0.500 peak   419 spectrum    1 weight  0.10000E+01 volume  0.26175E-03 ppm1      9.231 ppm2      2.227 CV     1
 OR {  419}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 15   and name HB  ))
 OR {  419}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 40   and name H2A ))
 OR {  419}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 40   and name H2B ))
 ASSI {  426}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 9    and name HB% )
      4.200     2.200     1.800 peak   426 spectrum    1 weight  0.10000E+01 volume  0.59034E-03 ppm1      9.236 ppm2      1.521 CV     1
 OR {  426}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 50   and name HB% )
 OR {  426}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 7    and name HG11))
 OR {  426}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 2    and name HB% )
 OR {  426}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 49   and name HB% )
 ASSI {  432}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 11   and name HD2%)
      3.600     1.600     1.600 peak   432 spectrum    1 weight  0.10000E+01 volume  0.20467E-02 ppm1      9.234 ppm2      0.867 CV     1
 OR {  432}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 11   and name HD1%)
 OR {  432}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 8    and name HG1%)
 ASSI {  433}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 14   and name HD1%)
      4.300     2.300     1.700 peak   433 spectrum    1 weight  0.10000E+01 volume  0.58600E-03 ppm1      9.234 ppm2      0.740 CV     1
 OR {  433}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 26   and name HG1%)
 ASSI {  434}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 46   and name HG1%)
      5.200     3.400     0.800 peak   434 spectrum    1 weight  0.10000E+01 volume  0.38013E-03 ppm1      9.236 ppm2      0.640 CV     1
 OR {  434}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  434}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 40   and name H6% )
 OR {  434}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 53   and name HG2 ))
 ASSI {  438}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 26   and name HB  ))
      4.600     2.600     1.400 peak   438 spectrum    1 weight  0.10000E+01 volume  0.49551E-03 ppm1      8.922 ppm2      2.322 CV     1
 OR {  438}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 13   and name HG2 ))
 OR {  438}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 13   and name HB1 ))
 ASSI {  439}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 15   and name HB  ))
      5.300     3.500     0.700 peak   439 spectrum    1 weight  0.10000E+01 volume  0.30345E-03 ppm1      8.926 ppm2      2.223 CV     1
 OR {  439}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 13   and name HB2 ))
 ASSI {  441}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HG  ))
      4.400     2.400     1.600 peak   441 spectrum    1 weight  0.10000E+01 volume  0.59646E-03 ppm1      8.920 ppm2      2.002 CV     1
 OR {  441}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 14   and name HG11))
 ASSI {  444}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 9    and name HB% )
      4.400     2.400     1.600 peak   444 spectrum    1 weight  0.10000E+01 volume  0.45870E-03 ppm1      8.921 ppm2      1.519 CV     1
 OR {  444}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 50   and name HB% )
 OR {  444}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 49   and name HB% )
 OR {  444}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 19   and name HB% )
 OR {  444}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 7    and name HG11))
 OR {  444}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 36   and name HG  ))
 ASSI {  448}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 8    and name HG2%)
      5.400     3.600     0.600 peak   448 spectrum    1 weight  0.10000E+01 volume  0.25148E-03 ppm1      8.928 ppm2      1.065 CV     1
 OR {  448}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 14   and name HG2%)
 OR {  448}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 14   and name HG12))
 OR {  448}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 73   and name HG2%)
 ASSI {  449}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 8    and name HG2%)
      5.100     3.200     0.900 peak   449 spectrum    1 weight  0.10000E+01 volume  0.41863E-03 ppm1      8.920 ppm2      1.027 CV     1
 OR {  449}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 15   and name HG1%)
 OR {  449}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 46   and name HG2%)
 OR {  449}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 14   and name HG2%)
 OR {  449}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 21   and name HG2%)
 OR {  449}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 14   and name HG12))
 ASSI {  450}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 8    and name HG2%)
      5.200     3.400     0.800 peak   450 spectrum    1 weight  0.10000E+01 volume  0.34457E-03 ppm1      8.927 ppm2      0.997 CV     1
 OR {  450}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 23   and name HG2%)
 OR {  450}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 15   and name HG1%)
 OR {  450}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 46   and name HG2%)
 OR {  450}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 21   and name HG2%)
 OR {  450}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 40   and name H5A ))
 OR {  450}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 23   and name HG1%)
 ASSI {  451}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 8    and name HG1%)
      4.000     2.000     2.000 peak   451 spectrum    1 weight  0.10000E+01 volume  0.11113E-02 ppm1      8.920 ppm2      0.908 CV     1
 OR {  451}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 26   and name HG2%)
 OR {  451}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 11   and name HD2%)
 ASSI {  454}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      3.100     1.200     1.200 peak   454 spectrum    1 weight  0.10000E+01 volume  0.18164E-02 ppm1      8.922 ppm2      4.232 CV     1
 OR {  454}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
 ASSI {  455}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      2.600     0.800     0.800 peak   455 spectrum    1 weight  0.10000E+01 volume  0.29603E-02 ppm1      8.921 ppm2      4.056 CV     1
 OR {  455}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 10   and name HA1 ))
 ASSI {  456}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      5.000     3.200     1.000 peak   456 spectrum    1 weight  0.10000E+01 volume  0.34986E-03 ppm1      8.921 ppm2      3.945 CV     1
 OR {  456}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
 OR {  456}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
 ASSI {  457}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 10   and name HA2 ))
      5.000     3.100     1.000 peak   457 spectrum    1 weight  0.10000E+01 volume  0.27817E-03 ppm1      8.926 ppm2      3.882 CV     1
 OR {  457}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
 ASSI {  458}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      6.000     5.100     0.000 peak   458 spectrum    1 weight  0.10000E+01 volume  0.14924E-03 ppm1      8.919 ppm2      3.569 CV     1
 OR {  458}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
 OR {  458}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
 ASSI {  459}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      3.800     1.800     1.800 peak   459 spectrum    1 weight  0.10000E+01 volume  0.58783E-03 ppm1      8.921 ppm2      3.385 CV     1
 OR {  459}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
 ASSI {  462}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      4.000     2.000     2.000 peak   462 spectrum    1 weight  0.10000E+01 volume  0.79384E-03 ppm1      8.920 ppm2      8.399 CV     1
 OR {  462}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
 ASSI {  470}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      4.500     2.500     1.500 peak   470 spectrum    1 weight  0.10000E+01 volume  0.39219E-03 ppm1      8.923 ppm2      7.744 CV     1
 OR {  470}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
 ASSI {  475}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 26   and name HG1%)
      3.200     1.200     1.200 peak   475 spectrum    1 weight  0.10000E+01 volume  0.12492E-02 ppm1      8.922 ppm2      0.738 CV     1
 OR {  475}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 14   and name HD1%)
 ASSI {  476}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 26   and name HG1%)
      5.100     3.200     0.900 peak   476 spectrum    1 weight  0.10000E+01 volume  0.45314E-03 ppm1      7.929 ppm2      0.742 CV     1
 OR {  476}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 14   and name HD1%)
 OR {  476}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 14   and name HD1%)
 ASSI {  479}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 72   and name HB% )
      4.800     2.900     1.200 peak   479 spectrum    1 weight  0.10000E+01 volume  0.34843E-03 ppm1      7.925 ppm2      1.593 CV     1
 OR {  479}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 21   and name HB  ))
 OR {  479}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 77   and name HG  ))
 OR {  479}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 7    and name HG11))
 OR {  479}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 2    and name HB% )
 OR {  479}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
 ASSI {  480}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 49   and name HB% )
      4.100     2.100     1.900 peak   480 spectrum    1 weight  0.10000E+01 volume  0.89510E-03 ppm1      7.919 ppm2      1.519 CV     1
 OR {  480}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 9    and name HB% )
 OR {  480}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 50   and name HB% )
 OR {  480}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 58   and name HG11))
 OR {  480}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 50   and name HB% )
 OR {  480}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 49   and name HB% )
 OR {  480}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 7    and name HG11))
 ASSI {  481}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HB  ))
      4.000     2.000     2.000 peak   481 spectrum    1 weight  0.10000E+01 volume  0.99464E-03 ppm1      7.924 ppm2      2.119 CV     1
 OR {  481}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 66   and name HB1 ))
 OR {  481}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
 OR {  481}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
 ASSI {  482}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HG2 ))
      2.300     0.700     0.700 peak   482 spectrum    1 weight  0.10000E+01 volume  0.67425E-02 ppm1      7.927 ppm2      2.302 CV     1
 OR {  482}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HB1 ))
 OR {  482}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 26   and name HB  ))
 ASSI {  483}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HB  ))
      2.400     0.700     0.700 peak   483 spectrum    1 weight  0.10000E+01 volume  0.49570E-02 ppm1      7.921 ppm2      2.222 CV     1
 OR {  483}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HB2 ))
 ASSI {  486}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      4.900     3.000     1.100 peak   486 spectrum    1 weight  0.10000E+01 volume  0.30091E-03 ppm1      7.926 ppm2      2.720 CV     1
 OR {  486}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 53   and name HD2 ))
 OR {  486}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 53   and name HD2 ))
 OR {  486}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 80   and name HG1 ))
 OR {  486}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
 OR {  486}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
 ASSI {  488}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      2.900     1.000     1.000 peak   488 spectrum    1 weight  0.10000E+01 volume  0.27591E-02 ppm1      7.924 ppm2      4.055 CV     1
 OR {  488}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
 OR {  488}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 10   and name HA1 ))
 ASSI {  490}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 10   and name HA2 ))
      4.000     2.000     2.000 peak   490 spectrum    1 weight  0.10000E+01 volume  0.60688E-03 ppm1      7.926 ppm2      3.856 CV     1
 OR {  490}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
 ASSI {  500}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 16   and name HD22))
      3.100     1.200     1.200 peak   500 spectrum    1 weight  0.10000E+01 volume  0.37351E-02 ppm1      7.923 ppm2      8.095 CV     1
 OR {  500}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
 ASSI {  508}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      4.000     2.000     2.000 peak   508 spectrum    1 weight  0.10000E+01 volume  0.71774E-03 ppm1      7.923 ppm2      8.822 CV     1
 OR {  508}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
 OR {  508}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
 ASSI {  509}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      4.100     2.100     1.900 peak   509 spectrum    1 weight  0.10000E+01 volume  0.84536E-03 ppm1      7.927 ppm2      8.663 CV     1
 OR {  509}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
 OR {  509}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
 ASSI {  519}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
      2.800     1.000     1.000 peak   519 spectrum    1 weight  0.10000E+01 volume  0.12642E-02 ppm1      8.182 ppm2      7.837 CV     1
 OR {  519}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 55   and name HN  ))
 ASSI {  560}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 40   and name H4B ))
      4.300     2.300     1.700 peak   560 spectrum    1 weight  0.10000E+01 volume  0.69193E-03 ppm1      8.184 ppm2      0.862 CV     1
 OR {  560}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 11   and name HD1%)
 OR {  560}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 40   and name H4A ))
 ASSI {  565}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 66   and name HD2%)
      3.600     1.700     1.700 peak   565 spectrum    1 weight  0.10000E+01 volume  0.12213E-02 ppm1      8.183 ppm2      0.607 CV     1
 OR {  565}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 76   and name HD1%)
 ASSI {  566}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 66   and name HD1%)
      4.100     2.100     1.900 peak   566 spectrum    1 weight  0.10000E+01 volume  0.92735E-03 ppm1      8.182 ppm2      0.422 CV     1
 OR {  566}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 69   and name HG1%)
 ASSI {  568}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      4.900     3.000     1.100 peak   568 spectrum    1 weight  0.10000E+01 volume  0.26843E-03 ppm1      8.810 ppm2      3.957 CV     1
 OR {  568}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 42   and name HB1 ))
 OR {  568}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
 OR {  568}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
 OR {  568}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 20   and name HA2 ))
 OR {  568}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
 ASSI {  569}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      4.700     2.800     1.300 peak   569 spectrum    1 weight  0.10000E+01 volume  0.30816E-03 ppm1      8.812 ppm2      3.928 CV     1
 OR {  569}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
 OR {  569}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
 OR {  569}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 20   and name HA2 ))
 OR {  569}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
 OR {  569}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
 ASSI {  571}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
      6.000     4.800     0.000 peak   571 spectrum    1 weight  0.10000E+01 volume  0.93247E-04 ppm1      8.808 ppm2      3.688 CV     1
 OR {  571}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 22   and name HD2 ))
 ASSI {  574}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      6.000     5.900     0.000 peak   574 spectrum    1 weight  0.10000E+01 volume  0.16596E-03 ppm1      8.807 ppm2      3.429 CV     1
 OR {  574}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
 ASSI {  575}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
      5.700     4.100     0.300 peak   575 spectrum    1 weight  0.10000E+01 volume  0.27216E-03 ppm1      8.810 ppm2      3.112 CV     1
 OR {  575}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
 OR {  575}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
 ASSI {  576}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      4.800     2.900     1.200 peak   576 spectrum    1 weight  0.10000E+01 volume  0.32538E-03 ppm1      8.807 ppm2      2.748 CV     1
 OR {  576}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 53   and name HD2 ))
 ASSI {  578}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 13   and name HG2 ))
      4.700     2.700     1.300 peak   578 spectrum    1 weight  0.10000E+01 volume  0.33655E-03 ppm1      8.811 ppm2      2.336 CV     1
 OR {  578}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 46   and name HB  ))
 OR {  578}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 26   and name HB  ))
 OR {  578}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 45   and name HB1 ))
 OR {  578}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
 OR {  578}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 43   and name HG1 ))
 ASSI {  579}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HB  ))
      2.300     0.700     0.700 peak   579 spectrum    1 weight  0.10000E+01 volume  0.49994E-02 ppm1      8.811 ppm2      2.247 CV     1
 OR {  579}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 46   and name HB  ))
 OR {  579}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 17   and name HG2 ))
 ASSI {  580}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HB  ))
      2.400     0.700     0.700 peak   580 spectrum    1 weight  0.10000E+01 volume  0.35535E-02 ppm1      8.811 ppm2      2.100 CV     1
 OR {  580}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI {  585}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 18   and name HG11))
      5.100     3.200     0.900 peak   585 spectrum    1 weight  0.10000E+01 volume  0.27330E-03 ppm1      8.814 ppm2      1.628 CV     1
 OR {  585}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 21   and name HB  ))
 OR {  585}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 18   and name HB  ))
 OR {  585}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 72   and name HB% )
 ASSI {  586}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 19   and name HB% )
      5.500     3.700     0.500 peak   586 spectrum    1 weight  0.10000E+01 volume  0.35362E-03 ppm1      8.809 ppm2      1.539 CV     1
 OR {  586}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 49   and name HB% )
 OR {  586}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 50   and name HB% )
 ASSI {  587}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 50   and name HB% )
      6.000     4.600     0.000 peak   587 spectrum    1 weight  0.10000E+01 volume  0.11695E-03 ppm1      8.813 ppm2      1.482 CV     1
 OR {  587}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 43   and name HE% )
 OR {  587}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 36   and name HG  ))
 ASSI {  589}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 21   and name HG11))
      6.000     4.500     0.000 peak   589 spectrum    1 weight  0.10000E+01 volume  0.21708E-03 ppm1      8.811 ppm2      1.338 CV     1
 OR {  589}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 21   and name HG12))
 OR {  589}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 18   and name HG12))
 ASSI {  593}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 46   and name HG2%)
      3.400     1.500     1.500 peak   593 spectrum    1 weight  0.10000E+01 volume  0.21507E-02 ppm1      8.811 ppm2      1.005 CV     1
 OR {  593}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 15   and name HG1%)
 OR {  593}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 21   and name HG2%)
 ASSI {  594}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 26   and name HG2%)
      4.500     2.500     1.500 peak   594 spectrum    1 weight  0.10000E+01 volume  0.72454E-03 ppm1      8.811 ppm2      0.919 CV     1
 OR {  594}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 11   and name HD2%)
 OR {  594}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
 OR {  594}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 40   and name H5A ))
 OR {  594}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 8    and name HG1%)
 OR {  594}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
 ASSI {  596}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 14   and name HD1%)
      4.300     2.300     1.700 peak   596 spectrum    1 weight  0.10000E+01 volume  0.95407E-03 ppm1      8.809 ppm2      0.751 CV     1
 OR {  596}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  596}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 26   and name HG1%)
 ASSI {  598}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      3.700     1.700     1.700 peak   598 spectrum    1 weight  0.10000E+01 volume  0.72080E-03 ppm1      8.810 ppm2      4.249 CV     1
 OR {  598}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
 ASSI {  601}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      4.400     2.400     1.600 peak   601 spectrum    1 weight  0.10000E+01 volume  0.61332E-03 ppm1      8.812 ppm2      8.525 CV     1
 OR {  601}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
 ASSI {  602}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      6.000     5.300     0.000 peak   602 spectrum    1 weight  0.10000E+01 volume  0.22509E-04 ppm1      8.810 ppm2      8.353 CV     1
 OR {  602}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
 ASSI {  605}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 16   and name HD22))
      4.400     2.400     1.600 peak   605 spectrum    1 weight  0.10000E+01 volume  0.61989E-03 ppm1      8.811 ppm2      8.079 CV     1
 OR {  605}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
 ASSI {  614}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      3.600     1.600     1.600 peak   614 spectrum    1 weight  0.10000E+01 volume  0.15848E-02 ppm1      8.694 ppm2      8.522 CV     1
 OR {  614}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
 ASSI {  618}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      3.700     1.700     1.700 peak   618 spectrum    1 weight  0.10000E+01 volume  0.97942E-03 ppm1      8.693 ppm2      8.182 CV     1
 OR {  618}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI {  631}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      5.900     4.300     0.100 peak   631 spectrum    1 weight  0.10000E+01 volume  0.10434E-03 ppm1      8.693 ppm2      4.279 CV     1
 OR {  631}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
 ASSI {  633}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      3.700     1.700     1.700 peak   633 spectrum    1 weight  0.10000E+01 volume  0.79699E-03 ppm1      8.692 ppm2      4.048 CV     1
 OR {  633}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 20   and name HA1 ))
 ASSI {  634}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      3.300     1.400     1.400 peak   634 spectrum    1 weight  0.10000E+01 volume  0.19014E-02 ppm1      8.694 ppm2      3.941 CV     1
 OR {  634}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
 OR {  634}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 20   and name HA2 ))
 OR {  634}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
 ASSI {  637}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      3.400     1.400     1.400 peak   637 spectrum    1 weight  0.10000E+01 volume  0.12712E-02 ppm1      8.694 ppm2      3.600 CV     1
 OR {  637}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
 ASSI {  651}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 26   and name HB  ))
      5.300     3.500     0.700 peak   651 spectrum    1 weight  0.10000E+01 volume  0.22275E-03 ppm1      8.694 ppm2      2.337 CV     1
 OR {  651}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
 OR {  651}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 46   and name HB  ))
 OR {  651}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
 ASSI {  652}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HB  ))
      2.500     0.800     0.800 peak   652 spectrum    1 weight  0.10000E+01 volume  0.28626E-02 ppm1      8.694 ppm2      2.251 CV     1
 OR {  652}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HG2 ))
 OR {  652}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
 ASSI {  653}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      4.600     2.700     1.400 peak   653 spectrum    1 weight  0.10000E+01 volume  0.46016E-03 ppm1      8.692 ppm2      2.121 CV     1
 OR {  653}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 14   and name HB  ))
 OR {  653}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI {  654}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 14   and name HG11))
      5.300     3.500     0.700 peak   654 spectrum    1 weight  0.10000E+01 volume  0.11593E-03 ppm1      8.692 ppm2      2.004 CV     1
 OR {  654}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 23   and name HB  ))
 OR {  654}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
 ASSI {  656}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 12   and name HB% )
      4.800     2.900     1.200 peak   656 spectrum    1 weight  0.10000E+01 volume  0.42410E-03 ppm1      8.693 ppm2      1.660 CV     1
 OR {  656}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 21   and name HB  ))
 OR {  656}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 18   and name HG11))
 ASSI {  657}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 19   and name HB% )
      5.600     4.000     0.400 peak   657 spectrum    1 weight  0.10000E+01 volume  0.16254E-03 ppm1      8.693 ppm2      1.530 CV     1
 OR {  657}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 49   and name HB% )
 ASSI {  658}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 21   and name HG11))
      6.000     4.500     0.000 peak   658 spectrum    1 weight  0.10000E+01 volume  0.15759E-03 ppm1      8.693 ppm2      1.352 CV     1
 OR {  658}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 21   and name HG12))
 OR {  658}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 18   and name HG12))
 ASSI {  659}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 21   and name HG11))
      6.000     4.600     0.000 peak   659 spectrum    1 weight  0.10000E+01 volume  0.14982E-03 ppm1      8.691 ppm2      1.278 CV     1
 OR {  659}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 21   and name HG12))
 OR {  659}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
 OR {  659}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 18   and name HG12))
 ASSI {  662}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 15   and name HG1%)
      3.300     1.400     1.400 peak   662 spectrum    1 weight  0.10000E+01 volume  0.24852E-02 ppm1      8.693 ppm2      0.998 CV     1
 OR {  662}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 46   and name HG2%)
 OR {  662}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 21   and name HG2%)
 OR {  662}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 23   and name HG1%)
 ASSI {  663}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 18   and name HD1%)
      5.700     4.100     0.300 peak   663 spectrum    1 weight  0.10000E+01 volume  0.18306E-03 ppm1      8.693 ppm2      0.833 CV     1
 OR {  663}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 21   and name HD1%)
 OR {  663}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 11   and name HD2%)
 OR {  663}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 11   and name HD1%)
 ASSI {  664}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 26   and name HG1%)
      5.400     3.700     0.600 peak   664 spectrum    1 weight  0.10000E+01 volume  0.32171E-03 ppm1      8.692 ppm2      0.752 CV     1
 OR {  664}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  664}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 14   and name HD1%)
 ASSI {  668}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HG2 ))
      2.600     0.900     0.900 peak   668 spectrum    1 weight  0.10000E+01 volume  0.82860E-02 ppm1      8.363 ppm2      2.263 CV     1
 OR {  668}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
 OR {  668}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HG1 ))
 OR {  668}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HG2 ))
 OR {  668}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 46   and name HB  ))
 OR {  668}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 44   and name HB  ))
 ASSI {  670}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 41   and name HG  ))
      4.800     2.900     1.200 peak   670 spectrum    1 weight  0.10000E+01 volume  0.28877E-03 ppm1      8.358 ppm2      1.731 CV     1
 OR {  670}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 12   and name HB% )
 OR {  670}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
 ASSI {  671}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HG11))
      4.000     2.000     2.000 peak   671 spectrum    1 weight  0.10000E+01 volume  0.10182E-02 ppm1      8.364 ppm2      1.636 CV     1
 OR {  671}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HB  ))
 OR {  671}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 18   and name HB  ))
 ASSI {  672}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 19   and name HB% )
      4.200     2.300     1.800 peak   672 spectrum    1 weight  0.10000E+01 volume  0.46450E-03 ppm1      8.360 ppm2      1.539 CV     1
 OR {  672}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 19   and name HB% )
 OR {  672}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 49   and name HB% )
 OR {  672}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 49   and name HB% )
 ASSI {  674}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HG12))
      6.000     5.200     0.000 peak   674 spectrum    1 weight  0.10000E+01 volume  0.15038E-03 ppm1      8.367 ppm2      1.321 CV     1
 OR {  674}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 33   and name HG2%)
 OR {  674}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 21   and name HG12))
 ASSI {  675}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 44   and name HG2%)
      5.200     3.400     0.800 peak   675 spectrum    1 weight  0.10000E+01 volume  0.24020E-03 ppm1      8.360 ppm2      1.161 CV     1
 OR {  675}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 15   and name HG2%)
 OR {  675}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 40   and name H3B ))
 ASSI {  676}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 38   and name HG1%)
      3.500     1.500     1.500 peak   676 spectrum    1 weight  0.10000E+01 volume  0.14684E-02 ppm1      8.366 ppm2      0.982 CV     1
 OR {  676}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 46   and name HG2%)
 OR {  676}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 15   and name HG1%)
 OR {  676}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
 OR {  676}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
 OR {  676}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 46   and name HG2%)
 OR {  676}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
 OR {  676}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 40   and name H5B ))
 OR {  676}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 44   and name HG1%)
 ASSI {  677}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 18   and name HD1%)
      5.200     3.400     0.800 peak   677 spectrum    1 weight  0.10000E+01 volume  0.27382E-03 ppm1      8.365 ppm2      0.762 CV     1
 OR {  677}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  677}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 14   and name HD1%)
 ASSI {  688}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      2.400     0.700     0.700 peak   688 spectrum    1 weight  0.10000E+01 volume  0.64835E-02 ppm1      8.362 ppm2      3.935 CV     1
 OR {  688}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
 OR {  688}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HB1 ))
 OR {  688}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
 ASSI {  691}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      3.900     1.900     1.900 peak   691 spectrum    1 weight  0.10000E+01 volume  0.57956E-03 ppm1      8.363 ppm2      3.598 CV     1
 OR {  691}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
 ASSI {  692}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      3.200     1.300     1.300 peak   692 spectrum    1 weight  0.10000E+01 volume  0.14976E-02 ppm1      8.372 ppm2      4.142 CV     1
 OR {  692}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
 OR {  692}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 73   and name HB  ))
 ASSI {  693}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.200     1.300     1.300 peak   693 spectrum    1 weight  0.10000E+01 volume  0.12730E-02 ppm1      8.365 ppm2      4.292 CV     1
 OR {  693}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
 OR {  693}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
 ASSI {  694}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      2.500     0.800     0.800 peak   694 spectrum    1 weight  0.10000E+01 volume  0.50593E-02 ppm1      8.369 ppm2      3.975 CV     1
 OR {  694}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
 OR {  694}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HB1 ))
 OR {  694}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
 OR {  694}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
 ASSI {  699}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      4.500     2.500     1.500 peak   699 spectrum    1 weight  0.10000E+01 volume  0.33166E-03 ppm1      8.360 ppm2      6.988 CV     1
 OR {  699}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 32   and name HE% )
 OR {  699}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 32   and name HE% )
 ASSI {  714}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      2.800     1.000     1.000 peak   714 spectrum    1 weight  0.10000E+01 volume  0.34632E-02 ppm1      8.205 ppm2      3.933 CV     1
 OR {  714}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
 OR {  714}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 42   and name HB1 ))
 ASSI {  723}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
      3.700     1.700     1.700 peak   723 spectrum    1 weight  0.10000E+01 volume  0.19040E-02 ppm1      8.205 ppm2      2.259 CV     1
 OR {  723}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HG2 ))
 OR {  723}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 45   and name HB1 ))
 ASSI {  724}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      2.800     1.000     1.000 peak   724 spectrum    1 weight  0.10000E+01 volume  0.21666E-02 ppm1      8.205 ppm2      2.139 CV     1
 OR {  724}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
 ASSI {  737}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
      3.700     1.800     1.800 peak   737 spectrum    1 weight  0.10000E+01 volume  0.20307E-02 ppm1      8.203 ppm2      0.959 CV     1
 OR {  737}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 46   and name HG2%)
 OR {  737}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 15   and name HG1%)
 ASSI {  760}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      4.800     2.900     1.200 peak   760 spectrum    1 weight  0.10000E+01 volume  0.23506E-03 ppm1      8.515 ppm2      4.701 CV     1
 OR {  760}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
 ASSI {  764}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 20   and name HA1 ))
      4.900     3.000     1.100 peak   764 spectrum    1 weight  0.10000E+01 volume  0.46322E-03 ppm1      8.516 ppm2      4.059 CV     1
 OR {  764}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
 OR {  764}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
 ASSI {  765}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 42   and name HB1 ))
      3.100     1.200     1.200 peak   765 spectrum    1 weight  0.10000E+01 volume  0.17202E-02 ppm1      8.516 ppm2      3.939 CV     1
 OR {  765}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
 OR {  765}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 20   and name HA2 ))
 OR {  765}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
 ASSI {  770}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 15   and name HB  ))
      4.800     2.800     1.200 peak   770 spectrum    1 weight  0.10000E+01 volume  0.44598E-03 ppm1      8.516 ppm2      2.262 CV     1
 OR {  770}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 46   and name HB  ))
 OR {  770}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 45   and name HB1 ))
 OR {  770}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
 OR {  770}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 45   and name HG2 ))
 OR {  770}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 44   and name HB  ))
 ASSI {  771}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      5.300     3.600     0.700 peak   771 spectrum    1 weight  0.10000E+01 volume  0.19539E-03 ppm1      8.510 ppm2      2.144 CV     1
 OR {  771}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
 OR {  771}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 14   and name HB  ))
 ASSI {  778}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HG12))
      5.000     3.100     1.000 peak   778 spectrum    1 weight  0.10000E+01 volume  0.51442E-03 ppm1      8.514 ppm2      1.299 CV     1
 OR {  778}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 21   and name HG11))
 OR {  778}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 21   and name HG12))
 ASSI {  781}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 15   and name HG1%)
      4.300     2.300     1.700 peak   781 spectrum    1 weight  0.10000E+01 volume  0.28327E-03 ppm1      8.512 ppm2      1.044 CV     1
 OR {  781}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 14   and name HG2%)
 ASSI {  782}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 15   and name HG1%)
      3.400     1.500     1.500 peak   782 spectrum    1 weight  0.10000E+01 volume  0.18456E-02 ppm1      8.517 ppm2      0.963 CV     1
 OR {  782}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
 OR {  782}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 46   and name HG2%)
 OR {  782}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
 ASSI {  787}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      5.000     3.200     1.000 peak   787 spectrum    1 weight  0.10000E+01 volume  0.56097E-03 ppm1      8.513 ppm2      8.087 CV     1
 OR {  787}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
 OR {  787}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 16   and name HD22))
 OR {  787}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
 ASSI {  798}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      3.600     1.600     1.600 peak   798 spectrum    1 weight  0.10000E+01 volume  0.18452E-02 ppm1      8.516 ppm2      8.321 CV     1
 OR {  798}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
 ASSI {  811}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HA1 ))
      3.500     1.500     1.500 peak   811 spectrum    1 weight  0.10000E+01 volume  0.12978E-02 ppm1      6.456 ppm2      4.059 CV     1
 OR {  811}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HD1 ))
 ASSI {  812}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HA2 ))
      3.500     1.500     1.500 peak   812 spectrum    1 weight  0.10000E+01 volume  0.12732E-02 ppm1      6.457 ppm2      3.945 CV     1
 OR {  812}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
 OR {  812}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 42   and name HB1 ))
 ASSI {  813}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HD2 ))
      5.700     4.100     0.300 peak   813 spectrum    1 weight  0.10000E+01 volume  0.26110E-03 ppm1      6.453 ppm2      3.699 CV     1
 OR {  813}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
 ASSI {  815}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
      5.000     3.100     1.000 peak   815 spectrum    1 weight  0.10000E+01 volume  0.33481E-03 ppm1      6.457 ppm2      3.107 CV     1
 OR {  815}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
 ASSI {  816}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      5.400     3.700     0.600 peak   816 spectrum    1 weight  0.10000E+01 volume  0.30441E-03 ppm1      6.459 ppm2      2.753 CV     1
 OR {  816}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
 ASSI {  818}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
      6.000     5.500     0.000 peak   818 spectrum    1 weight  0.10000E+01 volume  0.12524E-03 ppm1      6.446 ppm2      2.334 CV     1
 OR {  818}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
 OR {  818}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 26   and name HB  ))
 ASSI {  820}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HG1 ))
      6.000     5.500     0.000 peak   820 spectrum    1 weight  0.10000E+01 volume  0.60633E-04 ppm1      6.464 ppm2      2.162 CV     1
 OR {  820}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI {  821}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HG1 ))
      5.700     4.100     0.300 peak   821 spectrum    1 weight  0.10000E+01 volume  0.14669E-03 ppm1      6.461 ppm2      2.095 CV     1
 OR {  821}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
 ASSI {  823}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 38   and name HB  ))
      6.000     5.900     0.000 peak   823 spectrum    1 weight  0.10000E+01 volume  0.77173E-04 ppm1      6.451 ppm2      1.930 CV     1
 OR {  823}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HG2 ))
 ASSI {  826}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 12   and name HB% )
      6.000     4.500     0.000 peak   826 spectrum    1 weight  0.10000E+01 volume  0.17427E-03 ppm1      6.449 ppm2      1.712 CV     1
 OR {  826}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
 ASSI {  827}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HB  ))
      2.400     0.700     0.700 peak   827 spectrum    1 weight  0.10000E+01 volume  0.53690E-02 ppm1      6.457 ppm2      1.615 CV     1
 OR {  827}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 18   and name HB  ))
 OR {  827}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
 ASSI {  833}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 15   and name HG1%)
      2.700     0.900     0.900 peak   833 spectrum    1 weight  0.10000E+01 volume  0.27878E-02 ppm1      6.454 ppm2      1.006 CV     1
 OR {  833}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 21   and name HG2%)
 ASSI {  834}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 26   and name HG2%)
      5.100     3.200     0.900 peak   834 spectrum    1 weight  0.10000E+01 volume  0.52205E-03 ppm1      6.461 ppm2      0.929 CV     1
 OR {  834}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 38   and name HG1%)
 OR {  834}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
 OR {  834}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
 ASSI {  836}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 36   and name HD2%)
      6.000     5.900     0.000 peak   836 spectrum    1 weight  0.10000E+01 volume  0.12234E-03 ppm1      6.453 ppm2      0.752 CV     1
 OR {  836}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 26   and name HG1%)
 OR {  836}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 18   and name HD1%)
 ASSI {  839}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      6.000     5.100     0.000 peak   839 spectrum    1 weight  0.10000E+01 volume  0.25109E-04 ppm1      6.450 ppm2      8.370 CV     1
 OR {  839}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
 OR {  839}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
 ASSI {  840}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      4.300     2.300     1.700 peak   840 spectrum    1 weight  0.10000E+01 volume  0.15145E-03 ppm1      6.461 ppm2      8.340 CV     1
 OR {  840}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
 ASSI {  841}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      6.000     6.000     0.000 peak   841 spectrum    1 weight  0.10000E+01 volume  0.13337E-04 ppm1      6.462 ppm2      8.184 CV     1
 OR {  841}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI {  842}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 16   and name HD22))
      5.300     3.600     0.700 peak   842 spectrum    1 weight  0.10000E+01 volume  0.32928E-03 ppm1      6.459 ppm2      8.068 CV     1
 OR {  842}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
 ASSI {  850}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 16   and name HD21))
      4.300     2.300     1.700 peak   850 spectrum    1 weight  0.10000E+01 volume  0.24373E-03 ppm1      6.456 ppm2      6.808 CV     1
 OR {  850}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 32   and name HZ  ))
 ASSI {  861}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      4.800     2.900     1.200 peak   861 spectrum    1 weight  0.10000E+01 volume  0.43636E-03 ppm1      8.516 ppm2      4.038 CV     1
 OR {  861}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HD1 ))
 OR {  861}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
 ASSI {  866}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      5.300     3.500     0.700 peak   866 spectrum    1 weight  0.10000E+01 volume  0.13164E-03 ppm1      8.519 ppm2      4.621 CV     1
 OR {  866}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
 ASSI {  871}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      3.100     1.200     1.200 peak   871 spectrum    1 weight  0.10000E+01 volume  0.15784E-02 ppm1      8.507 ppm2      3.674 CV     1
 OR {  871}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI {  873}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 78   and name HB2 ))
      5.200     3.400     0.800 peak   873 spectrum    1 weight  0.10000E+01 volume  0.32151E-03 ppm1      8.506 ppm2      2.244 CV     1
 OR {  873}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 78   and name HB2 ))
 ASSI {  874}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 78   and name HB2 ))
      5.000     3.100     1.000 peak   874 spectrum    1 weight  0.10000E+01 volume  0.38606E-03 ppm1      8.510 ppm2      2.176 CV     1
 OR {  874}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
 OR {  874}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 78   and name HB2 ))
 ASSI {  875}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
      4.600     2.700     1.400 peak   875 spectrum    1 weight  0.10000E+01 volume  0.63008E-03 ppm1      8.510 ppm2      2.103 CV     1
 OR {  875}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
 ASSI {  876}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HG11))
      2.100     0.500     0.500 peak   876 spectrum    1 weight  0.10000E+01 volume  0.50497E-02 ppm1      8.508 ppm2      1.990 CV     1
 OR {  876}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HG11))
 ASSI {  877}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 74   and name HB2 ))
      3.000     3.000     3.000 peak   877 spectrum    1 weight  0.10000E+01 volume  0.63456E-03 ppm1      8.508 ppm2      1.894 CV     1
 OR {  877}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 74   and name HB2 ))
 ASSI {  878}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 7    and name HG11))
      5.000     3.200     1.000 peak   878 spectrum    1 weight  0.10000E+01 volume  0.49547E-03 ppm1      8.505 ppm2      1.539 CV     1
 OR {  878}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 2    and name HB% )
 OR {  878}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 58   and name HG11))
 OR {  878}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 7    and name HG11))
 OR {  878}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 2    and name HB% )
 ASSI {  880}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HB  ))
      2.000     0.500     0.500 peak   880 spectrum    1 weight  0.10000E+01 volume  0.11735E-01 ppm1      8.505 ppm2      1.773 CV     1
 OR {  880}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HB1 ))
 OR {  880}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HB  ))
 OR {  880}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 77   and name HB1 ))
 ASSI {  881}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
      2.400     0.700     0.700 peak   881 spectrum    1 weight  0.10000E+01 volume  0.47953E-02 ppm1      8.505 ppm2      1.650 CV     1
 OR {  881}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HG  ))
 OR {  881}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
 ASSI {  882}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 78   and name HB1 ))
      4.400     2.400     1.600 peak   882 spectrum    1 weight  0.10000E+01 volume  0.44273E-03 ppm1      8.504 ppm2      2.532 CV     1
 OR {  882}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
 OR {  882}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
 OR {  882}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 78   and name HB1 ))
 ASSI {  883}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 73   and name HG2%)
      4.200     2.200     1.800 peak   883 spectrum    1 weight  0.10000E+01 volume  0.69704E-03 ppm1      8.503 ppm2      1.101 CV     1
 OR {  883}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 73   and name HG2%)
 ASSI {  884}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 56   and name HG2%)
      6.000     5.400     0.000 peak   884 spectrum    1 weight  0.10000E+01 volume  0.50986E-04 ppm1      8.513 ppm2      1.004 CV     1
 OR {  884}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 56   and name HG2%)
 ASSI {  885}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
      3.900     1.900     1.900 peak   885 spectrum    1 weight  0.10000E+01 volume  0.19015E-02 ppm1      8.505 ppm2      0.824 CV     1
 OR {  885}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
 OR {  885}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 58   and name HG12))
 OR {  885}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 11   and name HD1%)
 OR {  885}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI {  886}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 7    and name HD1%)
      2.600     0.900     0.900 peak   886 spectrum    1 weight  0.10000E+01 volume  0.50246E-02 ppm1      8.504 ppm2      0.533 CV     1
 OR {  886}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
 OR {  886}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 7    and name HD1%)
 OR {  886}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
 OR {  886}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
 OR {  886}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
 ASSI {  887}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 76   and name HD1%)
      3.300     1.400     1.400 peak   887 spectrum    1 weight  0.10000E+01 volume  0.26149E-02 ppm1      8.507 ppm2      0.616 CV     1
 OR {  887}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 58   and name HD1%)
 ASSI {  888}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HG12))
      3.300     1.400     1.400 peak   888 spectrum    1 weight  0.10000E+01 volume  0.28230E-02 ppm1      8.508 ppm2      0.912 CV     1
 OR {  888}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 56   and name HG1%)
 OR {  888}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 56   and name HG1%)
 ASSI {  889}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB  ))
      3.000     1.100     1.100 peak   889 spectrum    1 weight  0.10000E+01 volume  0.49012E-02 ppm1      8.515 ppm2      2.039 CV     1
 OR {  889}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
 ASSI {  944}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 36   and name HD2%)
      5.300     3.500     0.700 peak   944 spectrum    1 weight  0.10000E+01 volume  0.29824E-03 ppm1      7.746 ppm2      0.756 CV     1
 OR {  944}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 26   and name HG1%)
 ASSI {  950}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HG1 ))
      3.900     1.900     1.900 peak   950 spectrum    1 weight  0.10000E+01 volume  0.13757E-02 ppm1      7.747 ppm2      2.330 CV     1
 OR {  950}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HG2 ))
 OR {  950}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HB  ))
 OR {  950}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
 ASSI {  951}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HG1 ))
      3.600     1.600     1.600 peak   951 spectrum    1 weight  0.10000E+01 volume  0.15617E-02 ppm1      7.746 ppm2      2.298 CV     1
 OR {  951}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HG2 ))
 OR {  951}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HB  ))
 ASSI {  957}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 27   and name HG2 ))
      5.000     3.100     1.000 peak   957 spectrum    1 weight  0.10000E+01 volume  0.24822E-03 ppm1      7.746 ppm2      1.339 CV     1
 OR {  957}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 27   and name HG1 ))
 OR {  957}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 21   and name HG12))
 OR {  957}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 30   and name HG2 ))
 OR {  957}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
 OR {  957}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 21   and name HG11))
 ASSI {  958}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 12   and name HB% )
      5.400     3.600     0.600 peak   958 spectrum    1 weight  0.10000E+01 volume  0.24367E-03 ppm1      7.747 ppm2      1.657 CV     1
 OR {  958}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 21   and name HB  ))
 OR {  958}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
 ASSI {  962}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      3.500     1.600     1.600 peak   962 spectrum    1 weight  0.10000E+01 volume  0.14511E-02 ppm1      7.747 ppm2      4.040 CV     1
 OR {  962}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 22   and name HD1 ))
 ASSI {  981}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      4.100     2.100     1.900 peak   981 spectrum    1 weight  0.10000E+01 volume  0.13721E-02 ppm1      7.489 ppm2      4.045 CV     1
 OR {  981}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
 OR {  981}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
 ASSI {  990}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 27   and name HE2 ))
      5.200     3.400     0.800 peak   990 spectrum    1 weight  0.10000E+01 volume  0.19733E-03 ppm1      7.489 ppm2      3.047 CV     1
 OR {  990}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 27   and name HE1 ))
 OR {  990}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 30   and name HE1 ))
 OR {  990}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 35   and name HB1 ))
 OR {  990}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
 ASSI {  994}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HB  ))
      2.200     0.600     0.600 peak   994 spectrum    1 weight  0.10000E+01 volume  0.68453E-02 ppm1      7.488 ppm2      2.336 CV     1
 OR {  994}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
 ASSI {  996}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      6.000     4.700     0.000 peak   996 spectrum    1 weight  0.10000E+01 volume  0.10609E-03 ppm1      7.488 ppm2      2.099 CV     1
 OR {  996}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
 OR {  996}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI {  997}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      4.200     2.200     1.800 peak   997 spectrum    1 weight  0.10000E+01 volume  0.47322E-03 ppm1      7.491 ppm2      2.024 CV     1
 OR {  997}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
 OR {  997}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
 ASSI {  999}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      5.000     3.200     1.000 peak   999 spectrum    1 weight  0.10000E+01 volume  0.25058E-03 ppm1      7.489 ppm2      1.783 CV     1
 OR {  999}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 30   and name HG1 ))
 ASSI { 1001}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 21   and name HB  ))
      5.500     3.800     0.500 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.19425E-03 ppm1      7.492 ppm2      1.586 CV     1
 OR { 1001}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
 OR { 1001}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
 OR { 1001}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 19   and name HB% )
 ASSI { 1002}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 36   and name HG  ))
      6.000     5.400     0.000 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.83015E-04 ppm1      7.487 ppm2      1.501 CV     1
 OR { 1002}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
 OR { 1002}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 19   and name HB% )
 ASSI { 1004}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 27   and name HG1 ))
      4.300     2.300     1.700 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.65191E-03 ppm1      7.488 ppm2      1.336 CV     1
 OR { 1004}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
 OR { 1004}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 21   and name HG12))
 OR { 1004}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 30   and name HG2 ))
 OR { 1004}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 21   and name HG11))
 ASSI { 1008}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 21   and name HG2%)
      3.100     1.200     1.200 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.12636E-02 ppm1      7.488 ppm2      1.012 CV     1
 OR { 1008}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 15   and name HG1%)
 ASSI { 1011}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 36   and name HD2%)
      3.400     1.400     1.400 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.18788E-02 ppm1      7.489 ppm2      0.743 CV     1
 OR { 1011}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 26   and name HG1%)
 ASSI { 1012}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 36   and name HD1%)
      5.500     3.800     0.500 peak  1012 spectrum    1 weight  0.10000E+01 volume  0.18503E-03 ppm1      7.489 ppm2      0.632 CV     1
 OR { 1012}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 69   and name HG2%)
 ASSI { 1039}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      6.000     4.900     0.000 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.17610E-03 ppm1      6.347 ppm2      4.385 CV     1
 OR { 1039}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
 OR { 1039}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 68   and name HB  ))
 ASSI { 1040}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      6.000     5.400     0.000 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.10430E-03 ppm1      6.356 ppm2      4.040 CV     1
 OR { 1040}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 70   and name HA1 ))
 OR { 1040}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
 ASSI { 1041}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 30   and name HE1 ))
      4.900     3.000     1.100 peak  1041 spectrum    1 weight  0.10000E+01 volume  0.50045E-03 ppm1      6.351 ppm2      3.026 CV     1
 OR { 1041}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 35   and name HB1 ))
 OR { 1041}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HE1 ))
 OR { 1041}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HE2 ))
 ASSI { 1044}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 69   and name HB  ))
      4.400     2.400     1.600 peak  1044 spectrum    1 weight  0.10000E+01 volume  0.27681E-03 ppm1      6.352 ppm2      2.264 CV     1
 OR { 1044}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
 ASSI { 1060}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 69   and name HG2%)
      3.400     1.400     1.400 peak  1060 spectrum    1 weight  0.10000E+01 volume  0.65424E-03 ppm1      6.352 ppm2      0.627 CV     1
 OR { 1060}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 36   and name HD1%)
 ASSI { 1070}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HB2 ))
      3.400     1.500     1.500 peak  1070 spectrum    1 weight  0.10000E+01 volume  0.18897E-02 ppm1      8.463 ppm2      1.463 CV     1
 OR { 1070}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 30   and name HD2 ))
 ASSI { 1074}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 8    and name HG2%)
      4.400     2.400     1.600 peak  1074 spectrum    1 weight  0.10000E+01 volume  0.27259E-03 ppm1      8.463 ppm2      1.061 CV     1
 OR { 1074}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 73   and name HG2%)
 OR { 1074}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 68   and name HG2%)
 ASSI { 1075}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 8    and name HG2%)
      4.400     2.400     1.600 peak  1075 spectrum    1 weight  0.10000E+01 volume  0.23550E-03 ppm1      8.465 ppm2      1.004 CV     1
 OR { 1075}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 21   and name HG2%)
 ASSI { 1078}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 26   and name HG1%)
      6.000     6.000     0.000 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.27823E-04 ppm1      8.467 ppm2      0.725 CV     1
 OR { 1078}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 36   and name HD2%)
 ASSI { 1079}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 69   and name HG2%)
      4.300     2.300     1.700 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.47304E-03 ppm1      8.462 ppm2      0.645 CV     1
 OR { 1079}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 36   and name HD1%)
 ASSI { 1104}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      3.000     1.100     1.100 peak  1104 spectrum    1 weight  0.10000E+01 volume  0.51036E-02 ppm1      7.503 ppm2      2.052 CV     1
 OR { 1104}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 63   and name HB  ))
 OR { 1104}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
 ASSI { 1106}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HG1 ))
      3.700     1.700     1.700 peak  1106 spectrum    1 weight  0.10000E+01 volume  0.18612E-02 ppm1      7.503 ppm2      1.800 CV     1
 OR { 1106}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 28   and name HG  ))
 OR { 1106}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 64   and name HB1 ))
 OR { 1106}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
 ASSI { 1107}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      3.200     1.300     1.300 peak  1107 spectrum    1 weight  0.10000E+01 volume  0.15302E-02 ppm1      7.503 ppm2      1.556 CV     1
 OR { 1107}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HD1 ))
 ASSI { 1108}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HD2 ))
      3.800     1.800     1.800 peak  1108 spectrum    1 weight  0.10000E+01 volume  0.13507E-02 ppm1      7.503 ppm2      1.465 CV     1
 OR { 1108}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 28   and name HB2 ))
 OR { 1108}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 36   and name HG  ))
 ASSI { 1109}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      2.400     0.700     0.700 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.47669E-02 ppm1      7.503 ppm2      1.357 CV     1
 OR { 1109}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HG2 ))
 OR { 1109}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 64   and name HG1 ))
 OR { 1109}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 64   and name HG2 ))
 ASSI { 1112}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 68   and name HG2%)
      4.400     2.400     1.600 peak  1112 spectrum    1 weight  0.10000E+01 volume  0.40946E-03 ppm1      7.504 ppm2      1.065 CV     1
 OR { 1112}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 8    and name HG2%)
 ASSI { 1113}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 47   and name HG2%)
      4.300     2.300     1.700 peak  1113 spectrum    1 weight  0.10000E+01 volume  0.92452E-03 ppm1      7.509 ppm2      0.903 CV     1
 OR { 1113}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 63   and name HG2%)
 OR { 1113}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 28   and name HD2%)
 OR { 1113}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 8    and name HG1%)
 OR { 1113}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 26   and name HG2%)
 OR { 1113}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 58   and name HG12))
 OR { 1113}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 40   and name H4A ))
 ASSI { 1114}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 63   and name HG1%)
      4.900     2.900     1.100 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.54247E-03 ppm1      7.505 ppm2      0.781 CV     1
 OR { 1114}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 36   and name HD2%)
 OR { 1114}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 28   and name HD1%)
 ASSI { 1115}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 69   and name HG2%)
      3.800     1.800     1.800 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.63775E-03 ppm1      7.500 ppm2      0.622 CV     1
 OR { 1115}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 36   and name HD1%)
 ASSI { 1117}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 69   and name HG1%)
      4.200     2.200     1.800 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.11499E-02 ppm1      7.503 ppm2      0.440 CV     1
 OR { 1117}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 66   and name HD1%)
 ASSI { 1119}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      3.800     1.800     1.800 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.67603E-03 ppm1      7.504 ppm2      3.576 CV     1
 OR { 1119}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
 ASSI { 1122}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 35   and name HB1 ))
      4.700     2.800     1.300 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.45021E-03 ppm1      7.504 ppm2      3.030 CV     1
 OR { 1122}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 64   and name HE1 ))
 OR { 1122}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HE1 ))
 OR { 1122}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 64   and name HE2 ))
 ASSI { 1123}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 64   and name HE1 ))
      4.700     2.800     1.300 peak  1123 spectrum    1 weight  0.10000E+01 volume  0.36894E-03 ppm1      7.504 ppm2      2.956 CV     1
 OR { 1123}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HE2 ))
 OR { 1123}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 64   and name HE2 ))
 ASSI { 1124}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HB1 ))
      4.300     2.300     1.700 peak  1124 spectrum    1 weight  0.10000E+01 volume  0.59121E-03 ppm1      7.504 ppm2      2.776 CV     1
 OR { 1124}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 65   and name HB2 ))
 ASSI { 1125}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HB1 ))
      4.000     2.000     2.000 peak  1125 spectrum    1 weight  0.10000E+01 volume  0.93370E-03 ppm1      7.505 ppm2      2.601 CV     1
 OR { 1125}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
 OR { 1125}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 60   and name HB1 ))
 ASSI { 1126}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 69   and name HB  ))
      3.100     1.200     1.200 peak  1126 spectrum    1 weight  0.10000E+01 volume  0.11546E-02 ppm1      7.502 ppm2      2.278 CV     1
 OR { 1126}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
 OR { 1126}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 40   and name H2A ))
 OR { 1126}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 40   and name H2B ))
 ASSI { 1128}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HB1 ))
      2.500     0.800     0.800 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.47843E-02 ppm1      7.517 ppm2      2.416 CV     1
 OR { 1128}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
 OR { 1128}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 59   and name HB1 ))
 ASSI { 1131}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      2.800     1.000     1.000 peak  1131 spectrum    1 weight  0.10000E+01 volume  0.28297E-02 ppm1      7.503 ppm2      4.398 CV     1
 OR { 1131}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 68   and name HB  ))
 OR { 1131}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
 ASSI { 1133}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
      6.000     4.500     0.000 peak  1133 spectrum    1 weight  0.10000E+01 volume  0.12565E-03 ppm1      7.505 ppm2      4.087 CV     1
 OR { 1133}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
 OR { 1133}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
 ASSI { 1134}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 59   and name HD2 ))
      4.700     2.800     1.300 peak  1134 spectrum    1 weight  0.10000E+01 volume  0.36308E-03 ppm1      7.507 ppm2      3.836 CV     1
 OR { 1134}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 59   and name HD1 ))
 OR { 1134}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
 OR { 1134}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 70   and name HA2 ))
 ASSI { 1135}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 59   and name HD2 ))
      4.600     2.600     1.400 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.41947E-03 ppm1      7.513 ppm2      3.792 CV     1
 OR { 1135}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 59   and name HD1 ))
 OR { 1135}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 70   and name HA2 ))
 ASSI { 1143}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 65   and name HD21))
      4.400     2.400     1.600 peak  1143 spectrum    1 weight  0.10000E+01 volume  0.73692E-03 ppm1      7.505 ppm2      6.988 CV     1
 OR { 1143}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 32   and name HE% )
 ASSI { 1145}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 65   and name HN  ))
      3.900     1.900     1.900 peak  1145 spectrum    1 weight  0.10000E+01 volume  0.14785E-02 ppm1      7.504 ppm2      7.228 CV     1
 OR { 1145}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 32   and name HD% )
 ASSI { 1155}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      2.800     1.000     1.000 peak  1155 spectrum    1 weight  0.10000E+01 volume  0.14939E-02 ppm1      7.514 ppm2      8.671 CV     1
 OR { 1155}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
 ASSI { 1157}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 69   and name HN  ))
      5.600     3.900     0.400 peak  1157 spectrum    1 weight  0.10000E+01 volume  0.86884E-04 ppm1     10.162 ppm2      8.136 CV     1
 OR { 1157}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
 ASSI { 1159}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      4.600     2.600     1.400 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.32734E-03 ppm1     10.165 ppm2      7.466 CV     1
 OR { 1159}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
 ASSI { 1164}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      4.600     2.700     1.400 peak  1164 spectrum    1 weight  0.10000E+01 volume  0.21780E-03 ppm1     10.164 ppm2      4.488 CV     1
 OR { 1164}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
 OR { 1164}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
 ASSI { 1176}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      5.700     4.100     0.300 peak  1176 spectrum    1 weight  0.10000E+01 volume  0.18374E-03 ppm1     10.163 ppm2      3.142 CV     1
 OR { 1176}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
 OR { 1176}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
 ASSI { 1181}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      5.100     3.200     0.900 peak  1181 spectrum    1 weight  0.10000E+01 volume  0.69581E-04 ppm1     10.163 ppm2      2.613 CV     1
 OR { 1181}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
 ASSI { 1183}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 69   and name HB  ))
      5.700     4.100     0.300 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.15025E-03 ppm1     10.167 ppm2      2.292 CV     1
 OR { 1183}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
 OR { 1183}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 26   and name HB  ))
 ASSI { 1186}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HD1 ))
      4.500     2.600     1.500 peak  1186 spectrum    1 weight  0.10000E+01 volume  0.82330E-03 ppm1     10.164 ppm2      1.568 CV     1
 OR { 1186}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
 ASSI { 1187}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HD2 ))
      4.500     2.600     1.500 peak  1187 spectrum    1 weight  0.10000E+01 volume  0.68745E-03 ppm1     10.160 ppm2      1.475 CV     1
 OR { 1187}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 36   and name HG  ))
 ASSI { 1193}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 36   and name HD1%)
      4.600     2.700     1.400 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.41286E-03 ppm1     10.163 ppm2      0.609 CV     1
 OR { 1193}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 69   and name HG2%)
 ASSI { 1197}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      6.000     5.200     0.000 peak  1197 spectrum    1 weight  0.10000E+01 volume  0.76172E-04 ppm1     10.165 ppm2      8.636 CV     1
 OR { 1197}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
 ASSI { 1203}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      3.000     1.100     1.100 peak  1203 spectrum    1 weight  0.10000E+01 volume  0.21923E-02 ppm1      8.222 ppm2      8.646 CV     1
 OR { 1203}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
 ASSI { 1205}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
      2.800     1.000     1.000 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.35298E-02 ppm1      8.221 ppm2      8.399 CV     1
 OR { 1205}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
 ASSI { 1208}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      3.300     1.300     1.300 peak  1208 spectrum    1 weight  0.10000E+01 volume  0.30669E-02 ppm1      8.223 ppm2      8.048 CV     1
 OR { 1208}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
 ASSI { 1212}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      4.000     2.000     2.000 peak  1212 spectrum    1 weight  0.10000E+01 volume  0.59610E-03 ppm1      8.225 ppm2      7.474 CV     1
 OR { 1212}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
 ASSI { 1217}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 32   and name HE% )
      4.200     2.200     1.800 peak  1217 spectrum    1 weight  0.10000E+01 volume  0.65036E-03 ppm1      8.225 ppm2      6.990 CV     1
 OR { 1217}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 32   and name HE% )
 ASSI { 1218}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HZ  ))
      5.000     3.200     1.000 peak  1218 spectrum    1 weight  0.10000E+01 volume  0.28307E-03 ppm1      8.225 ppm2      6.850 CV     1
 OR { 1218}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 32   and name HZ  ))
 ASSI { 1229}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      4.700     2.800     1.300 peak  1229 spectrum    1 weight  0.10000E+01 volume  0.42594E-03 ppm1      8.217 ppm2      4.500 CV     1
 OR { 1229}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
 OR { 1229}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
 OR { 1229}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
 ASSI { 1230}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      5.000     3.100     1.000 peak  1230 spectrum    1 weight  0.10000E+01 volume  0.22902E-03 ppm1      8.214 ppm2      4.430 CV     1
 OR { 1230}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
 OR { 1230}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
 ASSI { 1231}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 68   and name HB  ))
      4.900     3.000     1.100 peak  1231 spectrum    1 weight  0.10000E+01 volume  0.44862E-03 ppm1      8.217 ppm2      4.357 CV     1
 OR { 1231}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
 OR { 1231}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
 ASSI { 1232}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      4.900     3.000     1.100 peak  1232 spectrum    1 weight  0.10000E+01 volume  0.36510E-03 ppm1      8.224 ppm2      4.272 CV     1
 OR { 1232}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
 ASSI { 1234}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      2.600     0.900     0.900 peak  1234 spectrum    1 weight  0.10000E+01 volume  0.27937E-02 ppm1      8.225 ppm2      4.092 CV     1
 OR { 1234}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
 OR { 1234}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
 ASSI { 1242}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      4.900     3.000     1.100 peak  1242 spectrum    1 weight  0.10000E+01 volume  0.23797E-03 ppm1      8.228 ppm2      3.408 CV     1
 OR { 1242}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 40   and name H28B))
 ASSI { 1245}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      2.400     0.700     0.700 peak  1245 spectrum    1 weight  0.10000E+01 volume  0.46943E-02 ppm1      8.224 ppm2      3.158 CV     1
 OR { 1245}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
 OR { 1245}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
 ASSI { 1249}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
      2.600     0.800     0.800 peak  1249 spectrum    1 weight  0.10000E+01 volume  0.27607E-02 ppm1      8.226 ppm2      2.767 CV     1
 OR { 1249}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
 OR { 1249}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
 ASSI { 1251}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      5.600     4.000     0.400 peak  1251 spectrum    1 weight  0.10000E+01 volume  0.14655E-03 ppm1      8.227 ppm2      2.442 CV     1
 OR { 1251}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
 OR { 1251}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 45   and name HG1 ))
 ASSI { 1252}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 69   and name HB  ))
      4.700     2.700     1.300 peak  1252 spectrum    1 weight  0.10000E+01 volume  0.55576E-03 ppm1      8.225 ppm2      2.286 CV     1
 OR { 1252}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 40   and name H2B ))
 OR { 1252}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
 OR { 1252}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 40   and name H2A ))
 OR { 1252}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 43   and name HG1 ))
 OR { 1252}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 43   and name HG1 ))
 OR { 1252}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 43   and name HG2 ))
 OR { 1252}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 43   and name HG2 ))
 OR { 1252}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 46   and name HB  ))
 OR { 1252}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 40   and name H2A ))
 ASSI { 1253}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      4.700     2.700     1.300 peak  1253 spectrum    1 weight  0.10000E+01 volume  0.27659E-03 ppm1      8.217 ppm2      2.058 CV     1
 OR { 1253}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
 OR { 1253}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 43   and name HB1 ))
 OR { 1253}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 67   and name HB1 ))
 OR { 1253}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 43   and name HB1 ))
 ASSI { 1254}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HB  ))
      4.200     2.200     1.800 peak  1254 spectrum    1 weight  0.10000E+01 volume  0.94169E-03 ppm1      8.225 ppm2      1.891 CV     1
 OR { 1254}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 38   and name HB  ))
 ASSI { 1255}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 30   and name HG1 ))
      6.000     4.600     0.000 peak  1255 spectrum    1 weight  0.10000E+01 volume  0.86724E-04 ppm1      8.218 ppm2      1.792 CV     1
 OR { 1255}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 67   and name HD2 ))
 OR { 1255}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 67   and name HD1 ))
 OR { 1255}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 28   and name HG  ))
 OR { 1255}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 66   and name HG  ))
 OR { 1255}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 7    and name HB  ))
 ASSI { 1256}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 41   and name HG  ))
      6.000     5.500     0.000 peak  1256 spectrum    1 weight  0.10000E+01 volume  0.56152E-04 ppm1      8.222 ppm2      1.715 CV     1
 OR { 1256}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 28   and name HB1 ))
 ASSI { 1257}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      4.900     3.100     1.100 peak  1257 spectrum    1 weight  0.10000E+01 volume  0.24882E-03 ppm1      8.228 ppm2      1.624 CV     1
 OR { 1257}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
 OR { 1257}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 18   and name HB  ))
 OR { 1257}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 72   and name HB% )
 OR { 1257}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 67   and name HG1 ))
 ASSI { 1258}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 19   and name HB% )
      4.200     2.300     1.800 peak  1258 spectrum    1 weight  0.10000E+01 volume  0.42244E-03 ppm1      8.227 ppm2      1.545 CV     1
 OR { 1258}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 67   and name HG1 ))
 ASSI { 1259}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 36   and name HG  ))
      4.500     2.500     1.500 peak  1259 spectrum    1 weight  0.10000E+01 volume  0.45819E-03 ppm1      8.222 ppm2      1.452 CV     1
 OR { 1259}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 43   and name HE% )
 OR { 1259}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 43   and name HE% )
 ASSI { 1261}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 33   and name HG2%)
      4.800     2.900     1.200 peak  1261 spectrum    1 weight  0.10000E+01 volume  0.41498E-03 ppm1      8.226 ppm2      1.275 CV     1
 OR { 1261}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 33   and name HG2%)
 OR { 1261}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 21   and name HG11))
 ASSI { 1262}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 40   and name H3A ))
      5.400     3.600     0.600 peak  1262 spectrum    1 weight  0.10000E+01 volume  0.18038E-03 ppm1      8.223 ppm2      1.169 CV     1
 OR { 1262}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 40   and name H3B ))
 OR { 1262}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 15   and name HG2%)
 OR { 1262}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 15   and name HG2%)
 ASSI { 1264}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 38   and name HG1%)
      2.400     0.700     0.700 peak  1264 spectrum    1 weight  0.10000E+01 volume  0.49766E-02 ppm1      8.226 ppm2      0.928 CV     1
 OR { 1264}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
 OR { 1264}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 38   and name HG1%)
 ASSI { 1265}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 21   and name HD1%)
      5.200     3.300     0.800 peak  1265 spectrum    1 weight  0.10000E+01 volume  0.25138E-03 ppm1      8.226 ppm2      0.832 CV     1
 OR { 1265}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 40   and name H4B ))
 OR { 1265}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 40   and name H4A ))
 OR { 1265}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 63   and name HG1%)
 OR { 1265}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 28   and name HD1%)
 OR { 1265}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 63   and name HG1%)
 ASSI { 1266}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 36   and name HD2%)
      5.700     4.000     0.300 peak  1266 spectrum    1 weight  0.10000E+01 volume  0.16609E-03 ppm1      8.226 ppm2      0.760 CV     1
 OR { 1266}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 26   and name HG1%)
 OR { 1266}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 18   and name HD1%)
 ASSI { 1268}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 36   and name HD1%)
      3.800     1.800     1.800 peak  1268 spectrum    1 weight  0.10000E+01 volume  0.52603E-03 ppm1      8.223 ppm2      0.602 CV     1
 OR { 1268}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 69   and name HG2%)
 ASSI { 1269}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 69   and name HG1%)
      5.200     3.400     0.800 peak  1269 spectrum    1 weight  0.10000E+01 volume  0.33546E-03 ppm1      8.224 ppm2      0.443 CV     1
 OR { 1269}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 66   and name HD1%)
 ASSI { 1279}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      3.300     1.400     1.400 peak  1279 spectrum    1 weight  0.10000E+01 volume  0.10512E-02 ppm1      8.647 ppm2      4.084 CV     1
 OR { 1279}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
 ASSI { 1288}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 40   and name H43A))
      4.800     2.900     1.200 peak  1288 spectrum    1 weight  0.10000E+01 volume  0.24622E-03 ppm1      8.646 ppm2      2.805 CV     1
 OR { 1288}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
 OR { 1288}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 40   and name H43B))
 ASSI { 1289}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      4.500     2.500     1.500 peak  1289 spectrum    1 weight  0.10000E+01 volume  0.22784E-03 ppm1      8.645 ppm2      2.446 CV     1
 OR { 1289}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
 ASSI { 1290}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 40   and name H2A ))
      5.700     4.100     0.300 peak  1290 spectrum    1 weight  0.10000E+01 volume  0.14962E-03 ppm1      8.648 ppm2      2.265 CV     1
 OR { 1290}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 40   and name H2B ))
 OR { 1290}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 43   and name HG1 ))
 OR { 1290}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
 OR { 1290}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 43   and name HG2 ))
 ASSI { 1305}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 36   and name HD1%)
      5.500     3.800     0.500 peak  1305 spectrum    1 weight  0.10000E+01 volume  0.20871E-03 ppm1      8.653 ppm2      0.597 CV     1
 OR { 1305}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 69   and name HG2%)
 ASSI { 1308}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      4.700     2.700     1.300 peak  1308 spectrum    1 weight  0.10000E+01 volume  0.33254E-03 ppm1      8.646 ppm2      8.128 CV     1
 OR { 1308}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 69   and name HN  ))
 ASSI { 1309}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      4.700     2.800     1.300 peak  1309 spectrum    1 weight  0.10000E+01 volume  0.28046E-03 ppm1      8.646 ppm2      8.069 CV     1
 OR { 1309}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 40   and name H41A))
 ASSI { 1339}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 36   and name HD1%)
      4.100     2.100     1.900 peak  1339 spectrum    1 weight  0.10000E+01 volume  0.11881E-02 ppm1      7.447 ppm2      0.600 CV     1
 OR { 1339}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 69   and name HG2%)
 ASSI { 1341}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 21   and name HG2%)
      6.000     4.500     0.000 peak  1341 spectrum    1 weight  0.10000E+01 volume  0.22394E-03 ppm1      7.448 ppm2      1.011 CV     1
 OR { 1341}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 15   and name HG1%)
 ASSI { 1342}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
      5.000     3.100     1.000 peak  1342 spectrum    1 weight  0.10000E+01 volume  0.51643E-03 ppm1      7.450 ppm2      0.937 CV     1
 OR { 1342}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 26   and name HG2%)
 OR { 1342}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 38   and name HG1%)
 ASSI { 1358}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      2.800     1.000     1.000 peak  1358 spectrum    1 weight  0.10000E+01 volume  0.27746E-02 ppm1      7.446 ppm2      4.391 CV     1
 OR { 1358}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
 ASSI { 1387}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      2.100     0.500     0.500 peak  1387 spectrum    1 weight  0.10000E+01 volume  0.12734E-01 ppm1      7.348 ppm2      4.393 CV     1
 OR { 1387}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
 ASSI { 1394}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 21   and name HG12))
      4.500     2.500     1.500 peak  1394 spectrum    1 weight  0.10000E+01 volume  0.30033E-03 ppm1      7.354 ppm2      1.280 CV     1
 OR { 1394}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 21   and name HG11))
 OR { 1394}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 33   and name HG2%)
 ASSI { 1410}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 36   and name HG  ))
      5.300     3.500     0.700 peak  1410 spectrum    1 weight  0.10000E+01 volume  0.12081E-03 ppm1      8.093 ppm2      1.478 CV     1
 OR { 1410}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 43   and name HE% )
 ASSI { 1411}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 21   and name HG12))
      4.200     2.200     1.800 peak  1411 spectrum    1 weight  0.10000E+01 volume  0.51082E-03 ppm1      8.089 ppm2      1.271 CV     1
 OR { 1411}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 21   and name HG11))
 OR { 1411}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 33   and name HG2%)
 ASSI { 1421}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 33   and name HB  ))
      5.600     3.900     0.400 peak  1421 spectrum    1 weight  0.10000E+01 volume  0.17718E-03 ppm1      8.085 ppm2      4.147 CV     1
 OR { 1421}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
 OR { 1421}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
 ASSI { 1449}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
      3.900     1.900     1.900 peak  1449 spectrum    1 weight  0.10000E+01 volume  0.46952E-03 ppm1      8.920 ppm2      8.392 CV     1
 OR { 1449}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
 ASSI { 1465}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name H28B))
      5.700     4.000     0.300 peak  1465 spectrum    1 weight  0.10000E+01 volume  0.18276E-03 ppm1      8.922 ppm2      3.431 CV     1
 OR { 1465}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name H37B))
 OR { 1465}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
 ASSI { 1471}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
      3.400     1.400     1.400 peak  1471 spectrum    1 weight  0.10000E+01 volume  0.19726E-02 ppm1      8.920 ppm2      2.768 CV     1
 OR { 1471}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name H43A))
 OR { 1471}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name H43B))
 ASSI { 1472}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 43   and name HG1 ))
      6.000     5.600     0.000 peak  1472 spectrum    1 weight  0.10000E+01 volume  0.67101E-04 ppm1      8.921 ppm2      2.317 CV     1
 OR { 1472}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 43   and name HG2 ))
 OR { 1472}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 46   and name HB  ))
 ASSI { 1474}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 38   and name HB  ))
      5.500     3.800     0.500 peak  1474 spectrum    1 weight  0.10000E+01 volume  0.24895E-03 ppm1      8.919 ppm2      1.895 CV     1
 OR { 1474}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
 ASSI { 1485}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 41   and name HD2%)
      4.200     2.200     1.800 peak  1485 spectrum    1 weight  0.10000E+01 volume  0.91456E-03 ppm1      8.113 ppm2      0.963 CV     1
 OR { 1485}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 38   and name HG1%)
 OR { 1485}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
 OR { 1485}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
 ASSI { 1486}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 38   and name HG1%)
      3.800     1.800     1.800 peak  1486 spectrum    1 weight  0.10000E+01 volume  0.10144E-02 ppm1      8.112 ppm2      0.913 CV     1
 OR { 1486}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 41   and name HD1%)
 OR { 1486}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
 OR { 1486}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
 ASSI { 1487}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 18   and name HD1%)
      6.000     5.200     0.000 peak  1487 spectrum    1 weight  0.10000E+01 volume  0.10339E-03 ppm1      8.116 ppm2      0.799 CV     1
 OR { 1487}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 63   and name HG1%)
 ASSI { 1505}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name H28B))
      5.000     3.100     1.000 peak  1505 spectrum    1 weight  0.10000E+01 volume  0.25216E-03 ppm1      8.111 ppm2      3.431 CV     1
 OR { 1505}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
 ASSI { 1507}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      2.700     0.900     0.900 peak  1507 spectrum    1 weight  0.10000E+01 volume  0.35167E-02 ppm1      8.110 ppm2      4.292 CV     1
 OR { 1507}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
 ASSI { 1509}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 42   and name HB1 ))
      5.200     3.400     0.800 peak  1509 spectrum    1 weight  0.10000E+01 volume  0.37158E-03 ppm1      8.112 ppm2      3.979 CV     1
 OR { 1509}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
 OR { 1509}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
 ASSI { 1516}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
      2.300     0.600     0.600 peak  1516 spectrum    1 weight  0.10000E+01 volume  0.51849E-02 ppm1      8.111 ppm2      8.392 CV     1
 OR { 1516}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
 ASSI { 1523}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      2.600     0.800     0.800 peak  1523 spectrum    1 weight  0.10000E+01 volume  0.31528E-02 ppm1      8.395 ppm2      4.292 CV     1
 OR { 1523}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
 ASSI { 1527}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HB1 ))
      2.900     1.100     1.100 peak  1527 spectrum    1 weight  0.10000E+01 volume  0.29031E-02 ppm1      8.395 ppm2      3.980 CV     1
 OR { 1527}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
 OR { 1527}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
 ASSI { 1531}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      6.000     4.500     0.000 peak  1531 spectrum    1 weight  0.10000E+01 volume  0.13148E-03 ppm1      8.400 ppm2      3.569 CV     1
 OR { 1531}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
 ASSI { 1533}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
      4.700     2.700     1.300 peak  1533 spectrum    1 weight  0.10000E+01 volume  0.22569E-03 ppm1      8.402 ppm2      2.783 CV     1
 OR { 1533}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 40   and name H43A))
 OR { 1533}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 40   and name H43B))
 ASSI { 1534}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 46   and name HB  ))
      5.400     3.600     0.600 peak  1534 spectrum    1 weight  0.10000E+01 volume  0.36920E-03 ppm1      8.398 ppm2      2.299 CV     1
 OR { 1534}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HG1 ))
 OR { 1534}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HG2 ))
 OR { 1534}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 45   and name HG2 ))
 OR { 1534}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 45   and name HB1 ))
 ASSI { 1535}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 44   and name HB  ))
      5.700     4.000     0.300 peak  1535 spectrum    1 weight  0.10000E+01 volume  0.11787E-03 ppm1      8.393 ppm2      2.202 CV     1
 OR { 1535}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 40   and name H2A ))
 OR { 1535}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 40   and name H2B ))
 ASSI { 1536}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
      6.000     5.700     0.000 peak  1536 spectrum    1 weight  0.10000E+01 volume  0.45254E-04 ppm1      8.391 ppm2      2.125 CV     1
 OR { 1536}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 14   and name HB  ))
 ASSI { 1539}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
      3.600     1.600     1.600 peak  1539 spectrum    1 weight  0.10000E+01 volume  0.20756E-02 ppm1      8.396 ppm2      1.879 CV     1
 OR { 1539}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 38   and name HB  ))
 ASSI { 1541}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      3.200     1.300     1.300 peak  1541 spectrum    1 weight  0.10000E+01 volume  0.13744E-02 ppm1      8.394 ppm2      1.631 CV     1
 OR { 1541}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 18   and name HB  ))
 ASSI { 1544}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 44   and name HG2%)
      5.900     4.300     0.100 peak  1544 spectrum    1 weight  0.10000E+01 volume  0.10191E-03 ppm1      8.394 ppm2      1.132 CV     1
 OR { 1544}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 15   and name HG2%)
 ASSI { 1545}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 38   and name HG1%)
      3.700     1.700     1.700 peak  1545 spectrum    1 weight  0.10000E+01 volume  0.92151E-03 ppm1      8.395 ppm2      0.944 CV     1
 OR { 1545}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
 OR { 1545}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
 OR { 1545}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 46   and name HG2%)
 OR { 1545}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 40   and name H31%)
 ASSI { 1554}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      4.800     2.900     1.200 peak  1554 spectrum    1 weight  0.10000E+01 volume  0.22475E-03 ppm1      8.392 ppm2      7.006 CV     1
 OR { 1554}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 32   and name HE% )
 ASSI { 1561}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      5.300     3.500     0.700 peak  1561 spectrum    1 weight  0.10000E+01 volume  0.16596E-03 ppm1      8.370 ppm2      8.102 CV     1
 OR { 1561}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
 OR { 1561}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HD22))
 ASSI { 1565}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 44   and name HG1%)
      3.800     1.800     1.800 peak  1565 spectrum    1 weight  0.10000E+01 volume  0.21653E-02 ppm1      7.268 ppm2      0.970 CV     1
 OR { 1565}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 46   and name HG2%)
 OR { 1565}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
 ASSI { 1566}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 40   and name H31%)
      4.400     2.400     1.600 peak  1566 spectrum    1 weight  0.10000E+01 volume  0.62716E-03 ppm1      7.270 ppm2      0.897 CV     1
 OR { 1566}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 47   and name HG2%)
 OR { 1566}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 63   and name HG2%)
 OR { 1566}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 47   and name HG1%)
 ASSI { 1567}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 46   and name HB  ))
      3.900     1.900     1.900 peak  1567 spectrum    1 weight  0.10000E+01 volume  0.14460E-02 ppm1      7.267 ppm2      2.296 CV     1
 OR { 1567}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HG2 ))
 OR { 1567}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 45   and name HG2 ))
 OR { 1567}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HG1 ))
 OR { 1567}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 45   and name HB1 ))
 ASSI { 1572}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      5.000     3.100     1.000 peak  1572 spectrum    1 weight  0.10000E+01 volume  0.15302E-03 ppm1      7.266 ppm2      1.635 CV     1
 OR { 1572}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 18   and name HB  ))
 OR { 1572}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 18   and name HG11))
 OR { 1572}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 72   and name HB% )
 ASSI { 1576}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 45   and name HG1 ))
      4.900     3.000     1.100 peak  1576 spectrum    1 weight  0.10000E+01 volume  0.35366E-03 ppm1      7.267 ppm2      2.445 CV     1
 OR { 1576}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 40   and name H38B))
 ASSI { 1577}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      3.200     1.300     1.300 peak  1577 spectrum    1 weight  0.10000E+01 volume  0.14378E-02 ppm1      7.268 ppm2      4.293 CV     1
 OR { 1577}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
 ASSI { 1578}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      3.400     1.500     1.500 peak  1578 spectrum    1 weight  0.10000E+01 volume  0.31901E-03 ppm1      7.265 ppm2      4.146 CV     1
 OR { 1578}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
 OR { 1578}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
 OR { 1578}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
 ASSI { 1580}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      3.300     1.400     1.400 peak  1580 spectrum    1 weight  0.10000E+01 volume  0.10566E-02 ppm1      7.268 ppm2      3.975 CV     1
 OR { 1580}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 42   and name HB1 ))
 OR { 1580}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 40   and name H32A))
 ASSI { 1591}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      2.600     0.800     0.800 peak  1591 spectrum    1 weight  0.10000E+01 volume  0.26570E-02 ppm1      7.267 ppm2      8.371 CV     1
 OR { 1591}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
 ASSI { 1594}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      4.100     2.100     1.900 peak  1594 spectrum    1 weight  0.10000E+01 volume  0.61665E-03 ppm1      7.269 ppm2      7.990 CV     1
 OR { 1594}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 40   and name H36A))
 ASSI { 1605}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 48   and name HN  ))
      4.300     2.300     1.700 peak  1605 spectrum    1 weight  0.10000E+01 volume  0.56714E-03 ppm1      6.993 ppm2      7.905 CV     1
 OR { 1605}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
 ASSI { 1625}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      4.100     2.100     1.900 peak  1625 spectrum    1 weight  0.10000E+01 volume  0.62232E-03 ppm1      6.990 ppm2      3.969 CV     1
 OR { 1625}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 42   and name HB1 ))
 ASSI { 1630}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HG2 ))
      2.700     0.900     0.900 peak  1630 spectrum    1 weight  0.10000E+01 volume  0.68951E-02 ppm1      6.990 ppm2      2.288 CV     1
 OR { 1630}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HB1 ))
 OR { 1630}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 46   and name HB  ))
 ASSI { 1631}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HB  ))
      2.500     0.800     0.800 peak  1631 spectrum    1 weight  0.10000E+01 volume  0.40799E-02 ppm1      6.991 ppm2      2.223 CV     1
 OR { 1631}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 47   and name HB  ))
 ASSI { 1632}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 43   and name HB1 ))
      4.600     2.700     1.400 peak  1632 spectrum    1 weight  0.10000E+01 volume  0.38036E-03 ppm1      6.991 ppm2      2.051 CV     1
 OR { 1632}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 48   and name HB  ))
 ASSI { 1633}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      5.300     3.500     0.700 peak  1633 spectrum    1 weight  0.10000E+01 volume  0.23753E-03 ppm1      6.985 ppm2      1.953 CV     1
 OR { 1633}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 14   and name HG11))
 ASSI { 1638}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 44   and name HG1%)
      3.400     1.500     1.500 peak  1638 spectrum    1 weight  0.10000E+01 volume  0.25625E-02 ppm1      6.991 ppm2      0.971 CV     1
 OR { 1638}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 46   and name HG2%)
 OR { 1638}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
 ASSI { 1639}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 47   and name HG2%)
      4.900     3.000     1.100 peak  1639 spectrum    1 weight  0.10000E+01 volume  0.31379E-03 ppm1      6.991 ppm2      0.883 CV     1
 OR { 1639}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 47   and name HG1%)
 OR { 1639}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 63   and name HG2%)
 OR { 1639}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 11   and name HD2%)
 ASSI { 1642}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 49   and name HB% )
      4.800     2.900     1.200 peak  1642 spectrum    1 weight  0.10000E+01 volume  0.37475E-03 ppm1      8.082 ppm2      1.528 CV     1
 OR { 1642}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 50   and name HB% )
 OR { 1642}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 7    and name HG11))
 ASSI { 1645}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 14   and name HG2%)
      4.400     2.400     1.600 peak  1645 spectrum    1 weight  0.10000E+01 volume  0.71737E-03 ppm1      8.080 ppm2      1.072 CV     1
 OR { 1645}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 73   and name HG2%)
 OR { 1645}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 44   and name HG2%)
 ASSI { 1646}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 46   and name HG2%)
      2.200     0.600     0.600 peak  1646 spectrum    1 weight  0.10000E+01 volume  0.82302E-02 ppm1      8.080 ppm2      0.977 CV     1
 OR { 1646}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 44   and name HG1%)
 ASSI { 1647}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 47   and name HG2%)
      3.800     1.800     1.800 peak  1647 spectrum    1 weight  0.10000E+01 volume  0.14842E-02 ppm1      8.080 ppm2      0.907 CV     1
 OR { 1647}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 47   and name HG1%)
 OR { 1647}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 11   and name HD2%)
 OR { 1647}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 63   and name HG2%)
 OR { 1647}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 76   and name HG12))
 ASSI { 1648}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 46   and name HG1%)
      3.800     1.800     1.800 peak  1648 spectrum    1 weight  0.10000E+01 volume  0.16070E-02 ppm1      8.081 ppm2      0.671 CV     1
 OR { 1648}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 40   and name H6% )
 ASSI { 1650}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 18   and name HD1%)
      3.400     1.400     1.400 peak  1650 spectrum    1 weight  0.10000E+01 volume  0.13459E-02 ppm1      8.080 ppm2      0.782 CV     1
 OR { 1650}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 14   and name HD1%)
 ASSI { 1651}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 18   and name HB  ))
      5.100     3.200     0.900 peak  1651 spectrum    1 weight  0.10000E+01 volume  0.26747E-03 ppm1      8.077 ppm2      1.635 CV     1
 OR { 1651}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 18   and name HG11))
 OR { 1651}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
 ASSI { 1656}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HB  ))
      2.200     0.600     0.600 peak  1656 spectrum    1 weight  0.10000E+01 volume  0.87966E-02 ppm1      8.080 ppm2      2.293 CV     1
 OR { 1656}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HB1 ))
 OR { 1656}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HG2 ))
 ASSI { 1657}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
      3.000     1.100     1.100 peak  1657 spectrum    1 weight  0.10000E+01 volume  0.13425E-02 ppm1      8.080 ppm2      2.164 CV     1
 OR { 1657}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 66   and name HB1 ))
 ASSI { 1658}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 48   and name HB  ))
      5.300     3.500     0.700 peak  1658 spectrum    1 weight  0.10000E+01 volume  0.25228E-03 ppm1      8.082 ppm2      2.093 CV     1
 OR { 1658}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 14   and name HB  ))
 OR { 1658}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI { 1660}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      4.200     2.300     1.800 peak  1660 spectrum    1 weight  0.10000E+01 volume  0.49122E-03 ppm1      8.080 ppm2      3.584 CV     1
 OR { 1660}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
 ASSI { 1665}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      4.000     2.000     2.000 peak  1665 spectrum    1 weight  0.10000E+01 volume  0.42711E-03 ppm1      8.080 ppm2      4.299 CV     1
 OR { 1665}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
 ASSI { 1666}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      2.900     1.100     1.100 peak  1666 spectrum    1 weight  0.10000E+01 volume  0.23367E-02 ppm1      8.079 ppm2      3.975 CV     1
 OR { 1666}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 42   and name HB1 ))
 ASSI { 1678}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
      3.500     3.500     2.500 peak  1678 spectrum    1 weight  0.10000E+01 volume  0.26803E-03 ppm1      8.077 ppm2      8.425 CV     1
 OR { 1678}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
 OR { 1678}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 7    and name HN  ))
 OR { 1678}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
 OR { 1678}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
 ASSI { 1680}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      4.900     3.000     1.100 peak  1680 spectrum    1 weight  0.10000E+01 volume  0.33472E-03 ppm1      8.077 ppm2      8.806 CV     1
 OR { 1680}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
 ASSI { 1681}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 48   and name HN  ))
      2.600     0.800     0.800 peak  1681 spectrum    1 weight  0.10000E+01 volume  0.40889E-02 ppm1      8.000 ppm2      7.909 CV     1
 OR { 1681}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
 ASSI { 1689}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      4.900     3.000     1.100 peak  1689 spectrum    1 weight  0.10000E+01 volume  0.16446E-03 ppm1      8.001 ppm2      8.824 CV     1
 OR { 1689}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
 ASSI { 1691}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
      5.600     3.900     0.400 peak  1691 spectrum    1 weight  0.10000E+01 volume  0.33170E-03 ppm1      7.999 ppm2      8.621 CV     1
 OR { 1691}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
 ASSI { 1692}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      3.400     3.400     2.600 peak  1692 spectrum    1 weight  0.10000E+01 volume  0.33728E-03 ppm1      7.996 ppm2      8.414 CV     1
 OR { 1692}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
 OR { 1692}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
 ASSI { 1695}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      6.000     6.000     0.000 peak  1695 spectrum    1 weight  0.10000E+01 volume  0.51780E-04 ppm1      7.996 ppm2      4.156 CV     1
 OR { 1695}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
 ASSI { 1698}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      3.800     1.800     1.800 peak  1698 spectrum    1 weight  0.10000E+01 volume  0.85820E-03 ppm1      7.999 ppm2      3.974 CV     1
 OR { 1698}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
 ASSI { 1704}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HB  ))
      2.600     0.800     0.800 peak  1704 spectrum    1 weight  0.10000E+01 volume  0.40529E-02 ppm1      7.998 ppm2      2.293 CV     1
 OR { 1704}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 43   and name HG2 ))
 OR { 1704}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 45   and name HB1 ))
 OR { 1704}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 43   and name HG1 ))
 ASSI { 1706}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 48   and name HB  ))
      5.000     3.200     1.000 peak  1706 spectrum    1 weight  0.10000E+01 volume  0.32508E-03 ppm1      8.001 ppm2      2.101 CV     1
 OR { 1706}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 14   and name HB  ))
 OR { 1706}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
 ASSI { 1707}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 48   and name HB  ))
      4.700     2.700     1.300 peak  1707 spectrum    1 weight  0.10000E+01 volume  0.42644E-03 ppm1      7.997 ppm2      2.053 CV     1
 OR { 1707}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 43   and name HB1 ))
 OR { 1707}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 63   and name HB  ))
 ASSI { 1708}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 49   and name HB% )
      4.500     2.600     1.500 peak  1708 spectrum    1 weight  0.10000E+01 volume  0.37842E-03 ppm1      7.989 ppm2      1.531 CV     1
 OR { 1708}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 50   and name HB% )
 ASSI { 1710}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
      4.700     2.700     1.300 peak  1710 spectrum    1 weight  0.10000E+01 volume  0.71637E-03 ppm1      7.995 ppm2      1.106 CV     1
 OR { 1710}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 14   and name HG2%)
 OR { 1710}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 44   and name HG2%)
 ASSI { 1711}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 46   and name HG2%)
      3.700     1.700     1.700 peak  1711 spectrum    1 weight  0.10000E+01 volume  0.16882E-02 ppm1      7.999 ppm2      0.982 CV     1
 OR { 1711}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 44   and name HG1%)
 OR { 1711}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 48   and name HG1%)
 ASSI { 1713}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 18   and name HD1%)
      4.400     2.400     1.600 peak  1713 spectrum    1 weight  0.10000E+01 volume  0.27320E-03 ppm1      8.000 ppm2      0.762 CV     1
 OR { 1713}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 14   and name HD1%)
 ASSI { 1714}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 46   and name HG1%)
      3.400     1.400     1.400 peak  1714 spectrum    1 weight  0.10000E+01 volume  0.14772E-02 ppm1      7.998 ppm2      0.667 CV     1
 OR { 1714}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 40   and name H6% )
 ASSI { 1716}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 46   and name HG1%)
      5.400     3.700     0.600 peak  1716 spectrum    1 weight  0.10000E+01 volume  0.21242E-03 ppm1      7.896 ppm2      0.663 CV     1
 OR { 1716}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 46   and name HG1%)
 OR { 1716}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 40   and name H6% )
 OR { 1716}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 40   and name H6% )
 OR { 1716}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 69   and name HG2%)
 OR { 1716}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 40   and name H6% )
 ASSI { 1717}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 47   and name HG1%)
      3.100     1.200     1.200 peak  1717 spectrum    1 weight  0.10000E+01 volume  0.20157E-02 ppm1      7.897 ppm2      0.879 CV     1
 OR { 1717}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 47   and name HG2%)
 OR { 1717}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 26   and name HG2%)
 OR { 1717}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 76   and name HG12))
 OR { 1717}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 58   and name HG12))
 ASSI { 1719}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HB  ))
      2.300     0.700     0.700 peak  1719 spectrum    1 weight  0.10000E+01 volume  0.51840E-02 ppm1      7.898 ppm2      2.062 CV     1
 OR { 1719}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HB  ))
 ASSI { 1720}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      4.500     2.500     1.500 peak  1720 spectrum    1 weight  0.10000E+01 volume  0.49666E-03 ppm1      7.901 ppm2      3.587 CV     1
 OR { 1720}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
 OR { 1720}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
 OR { 1720}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
 ASSI { 1721}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      4.800     2.900     1.200 peak  1721 spectrum    1 weight  0.10000E+01 volume  0.23774E-03 ppm1      7.901 ppm2      3.403 CV     1
 OR { 1721}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
 OR { 1721}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
 OR { 1721}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
 ASSI { 1723}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      3.300     3.300     2.700 peak  1723 spectrum    1 weight  0.10000E+01 volume  0.20121E-02 ppm1      7.896 ppm2      7.713 CV     1
 OR { 1723}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
 OR { 1723}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
 OR { 1723}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 80   and name HE22))
 ASSI { 1724}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      4.400     2.500     1.600 peak  1724 spectrum    1 weight  0.10000E+01 volume  0.27668E-03 ppm1      7.895 ppm2      8.407 CV     1
 OR { 1724}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
 ASSI { 1728}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      2.400     0.700     0.700 peak  1728 spectrum    1 weight  0.10000E+01 volume  0.41884E-02 ppm1      7.905 ppm2      8.810 CV     1
 OR { 1728}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
 ASSI { 1744}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      5.800     4.200     0.200 peak  1744 spectrum    1 weight  0.10000E+01 volume  0.20952E-03 ppm1      7.907 ppm2      4.151 CV     1
 OR { 1744}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
 OR { 1744}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
 ASSI { 1746}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      3.400     1.400     1.400 peak  1746 spectrum    1 weight  0.10000E+01 volume  0.12515E-02 ppm1      7.906 ppm2      3.951 CV     1
 OR { 1746}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
 ASSI { 1751}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
      3.800     1.800     1.800 peak  1751 spectrum    1 weight  0.10000E+01 volume  0.18882E-02 ppm1      7.905 ppm2      1.109 CV     1
 OR { 1751}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 14   and name HG2%)
 ASSI { 1753}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 47   and name HG1%)
      4.600     2.700     1.400 peak  1753 spectrum    1 weight  0.10000E+01 volume  0.54960E-03 ppm1      7.905 ppm2      0.890 CV     1
 OR { 1753}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 47   and name HG2%)
 OR { 1753}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 11   and name HD2%)
 OR { 1753}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 53   and name HG1 ))
 ASSI { 1755}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 46   and name HG1%)
      5.000     3.100     1.000 peak  1755 spectrum    1 weight  0.10000E+01 volume  0.27715E-03 ppm1      7.907 ppm2      0.667 CV     1
 OR { 1755}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 53   and name HG2 ))
 OR { 1755}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 40   and name H6% )
 ASSI { 1757}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 49   and name HB% )
      2.200     0.600     0.600 peak  1757 spectrum    1 weight  0.10000E+01 volume  0.92023E-02 ppm1      7.905 ppm2      1.529 CV     1
 OR { 1757}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 50   and name HB% )
 ASSI { 1758}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
      5.200     3.400     0.800 peak  1758 spectrum    1 weight  0.10000E+01 volume  0.33860E-03 ppm1      7.907 ppm2      2.466 CV     1
 OR { 1758}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 52   and name HG1 ))
 ASSI { 1760}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
      3.600     1.700     1.700 peak  1760 spectrum    1 weight  0.10000E+01 volume  0.12979E-02 ppm1      7.908 ppm2      2.157 CV     1
 OR { 1760}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
 ASSI { 1761}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HB  ))
      2.700     0.900     0.900 peak  1761 spectrum    1 weight  0.10000E+01 volume  0.39833E-02 ppm1      7.905 ppm2      2.062 CV     1
 OR { 1761}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 14   and name HB  ))
 ASSI { 1763}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
      5.800     4.200     0.200 peak  1763 spectrum    1 weight  0.10000E+01 volume  0.33465E-03 ppm1      8.810 ppm2      2.470 CV     1
 OR { 1763}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 52   and name HG1 ))
 ASSI { 1764}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 51   and name HG2 ))
      4.700     2.700     1.300 peak  1764 spectrum    1 weight  0.10000E+01 volume  0.30493E-03 ppm1      8.811 ppm2      2.294 CV     1
 OR { 1764}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 46   and name HB  ))
 OR { 1764}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 13   and name HG2 ))
 ASSI { 1765}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 47   and name HB  ))
      5.300     3.600     0.700 peak  1765 spectrum    1 weight  0.10000E+01 volume  0.18974E-03 ppm1      8.810 ppm2      2.220 CV     1
 OR { 1765}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 52   and name HG2 ))
 ASSI { 1766}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
      4.900     3.000     1.100 peak  1766 spectrum    1 weight  0.10000E+01 volume  0.31528E-03 ppm1      8.809 ppm2      2.122 CV     1
 OR { 1766}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
 ASSI { 1767}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
      4.400     2.500     1.600 peak  1767 spectrum    1 weight  0.10000E+01 volume  0.45436E-03 ppm1      8.811 ppm2      2.067 CV     1
 OR { 1767}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
 ASSI { 1768}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 14   and name HG11))
      6.000     4.500     0.000 peak  1768 spectrum    1 weight  0.10000E+01 volume  0.14149E-03 ppm1      8.809 ppm2      1.991 CV     1
 OR { 1768}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 11   and name HG  ))
 OR { 1768}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 63   and name HB  ))
 OR { 1768}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 76   and name HG11))
 ASSI { 1771}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 50   and name HB% )
      2.200     0.600     0.600 peak  1771 spectrum    1 weight  0.10000E+01 volume  0.94037E-02 ppm1      8.811 ppm2      1.504 CV     1
 OR { 1771}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 49   and name HB% )
 ASSI { 1775}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
      4.000     2.000     2.000 peak  1775 spectrum    1 weight  0.10000E+01 volume  0.20178E-03 ppm1      8.811 ppm2      1.163 CV     1
 OR { 1775}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 44   and name HG2%)
 OR { 1775}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 40   and name H3B ))
 OR { 1775}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 40   and name H3A ))
 ASSI { 1776}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 14   and name HG2%)
      3.400     1.400     1.400 peak  1776 spectrum    1 weight  0.10000E+01 volume  0.11217E-02 ppm1      8.811 ppm2      1.070 CV     1
 OR { 1776}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 14   and name HG12))
 OR { 1776}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
 ASSI { 1777}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 48   and name HG1%)
      4.400     2.400     1.600 peak  1777 spectrum    1 weight  0.10000E+01 volume  0.46482E-03 ppm1      8.813 ppm2      0.991 CV     1
 OR { 1777}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 46   and name HG2%)
 OR { 1777}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 40   and name H5B ))
 OR { 1777}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 40   and name H5A ))
 ASSI { 1778}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 47   and name HG1%)
      4.300     2.300     1.700 peak  1778 spectrum    1 weight  0.10000E+01 volume  0.86601E-03 ppm1      8.810 ppm2      0.874 CV     1
 OR { 1778}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 11   and name HD2%)
 OR { 1778}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 47   and name HG2%)
 OR { 1778}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 53   and name HG1 ))
 ASSI { 1780}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 46   and name HG1%)
      4.100     2.100     1.900 peak  1780 spectrum    1 weight  0.10000E+01 volume  0.60322E-03 ppm1      8.809 ppm2      0.652 CV     1
 OR { 1780}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 53   and name HG2 ))
 OR { 1780}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 40   and name H6% )
 ASSI { 1781}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 58   and name HD1%)
      5.000     3.100     1.000 peak  1781 spectrum    1 weight  0.10000E+01 volume  0.28188E-03 ppm1      8.815 ppm2      0.563 CV     1
 OR { 1781}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
 OR { 1781}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
 ASSI { 1782}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      3.500     1.600     1.600 peak  1782 spectrum    1 weight  0.10000E+01 volume  0.10947E-02 ppm1      8.812 ppm2      4.242 CV     1
 OR { 1782}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
 ASSI { 1783}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      5.500     3.800     0.500 peak  1783 spectrum    1 weight  0.10000E+01 volume  0.22608E-03 ppm1      8.812 ppm2      4.151 CV     1
 OR { 1783}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
 ASSI { 1784}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      4.400     2.400     1.600 peak  1784 spectrum    1 weight  0.10000E+01 volume  0.24073E-03 ppm1      8.813 ppm2      4.066 CV     1
 OR { 1784}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 10   and name HA1 ))
 OR { 1784}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
 ASSI { 1785}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      2.600     0.800     0.800 peak  1785 spectrum    1 weight  0.10000E+01 volume  0.29951E-02 ppm1      8.811 ppm2      3.960 CV     1
 OR { 1785}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
 ASSI { 1790}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      3.700     1.700     1.700 peak  1790 spectrum    1 weight  0.10000E+01 volume  0.53886E-03 ppm1      8.811 ppm2      3.417 CV     1
 OR { 1790}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
 ASSI { 1793}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 53   and name HD2 ))
      6.000     6.000     0.000 peak  1793 spectrum    1 weight  0.10000E+01 volume  0.38439E-04 ppm1      8.809 ppm2      2.714 CV     1
 OR { 1793}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
 ASSI { 1799}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      2.400     0.700     0.700 peak  1799 spectrum    1 weight  0.10000E+01 volume  0.46354E-02 ppm1      8.811 ppm2      7.905 CV     1
 OR { 1799}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 48   and name HN  ))
 ASSI { 1816}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      4.500     2.600     1.500 peak  1816 spectrum    1 weight  0.10000E+01 volume  0.44193E-03 ppm1      8.859 ppm2      8.223 CV     1
 OR { 1816}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
 ASSI { 1819}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      4.100     2.100     1.900 peak  1819 spectrum    1 weight  0.10000E+01 volume  0.66352E-03 ppm1      8.860 ppm2      7.902 CV     1
 OR { 1819}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 48   and name HN  ))
 ASSI { 1820}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 55   and name HN  ))
      5.000     3.100     1.000 peak  1820 spectrum    1 weight  0.10000E+01 volume  0.32322E-03 ppm1      8.860 ppm2      7.816 CV     1
 OR { 1820}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
 ASSI { 1831}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      3.000     1.100     1.100 peak  1831 spectrum    1 weight  0.10000E+01 volume  0.20288E-02 ppm1      8.859 ppm2      3.953 CV     1
 OR { 1831}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
 ASSI { 1837}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
      5.400     3.700     0.600 peak  1837 spectrum    1 weight  0.10000E+01 volume  0.26887E-03 ppm1      8.858 ppm2      1.672 CV     1
 OR { 1837}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 57   and name HB2 ))
 OR { 1837}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 57   and name HD2 ))
 OR { 1837}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 57   and name HD1 ))
 OR { 1837}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 57   and name HB1 ))
 ASSI { 1838}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
      5.500     3.700     0.500 peak  1838 spectrum    1 weight  0.10000E+01 volume  0.24651E-03 ppm1      8.858 ppm2      1.596 CV     1
 OR { 1838}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 72   and name HB% )
 ASSI { 1843}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
      5.300     3.500     0.700 peak  1843 spectrum    1 weight  0.10000E+01 volume  0.15769E-03 ppm1      8.856 ppm2      2.730 CV     1
 OR { 1843}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 53   and name HD2 ))
 ASSI { 1848}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 47   and name HB  ))
      5.100     3.200     0.900 peak  1848 spectrum    1 weight  0.10000E+01 volume  0.33261E-03 ppm1      8.856 ppm2      2.209 CV     1
 OR { 1848}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 52   and name HG2 ))
 ASSI { 1849}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
      2.600     0.800     0.800 peak  1849 spectrum    1 weight  0.10000E+01 volume  0.23408E-02 ppm1      8.861 ppm2      2.117 CV     1
 OR { 1849}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
 ASSI { 1850}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
      4.300     2.300     1.700 peak  1850 spectrum    1 weight  0.10000E+01 volume  0.38452E-03 ppm1      8.865 ppm2      1.101 CV     1
 OR { 1850}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
 OR { 1850}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 14   and name HG12))
 ASSI { 1851}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 48   and name HG1%)
      4.500     2.500     1.500 peak  1851 spectrum    1 weight  0.10000E+01 volume  0.47080E-03 ppm1      8.857 ppm2      0.976 CV     1
 OR { 1851}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 56   and name HG1%)
 OR { 1851}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 56   and name HG2%)
 ASSI { 1852}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 47   and name HG1%)
      4.200     2.200     1.800 peak  1852 spectrum    1 weight  0.10000E+01 volume  0.78863E-03 ppm1      8.865 ppm2      0.884 CV     1
 OR { 1852}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 47   and name HG2%)
 OR { 1852}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 53   and name HG1 ))
 OR { 1852}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 11   and name HD2%)
 OR { 1852}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 56   and name HG1%)
 OR { 1852}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 58   and name HG12))
 ASSI { 1854}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 58   and name HD1%)
      4.200     2.200     1.800 peak  1854 spectrum    1 weight  0.10000E+01 volume  0.57061E-03 ppm1      8.861 ppm2      0.575 CV     1
 OR { 1854}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 76   and name HD1%)
 OR { 1854}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
 ASSI { 1856}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HG1 ))
      4.600     2.700     1.400 peak  1856 spectrum    1 weight  0.10000E+01 volume  0.57431E-03 ppm1      7.727 ppm2      2.829 CV     1
 OR { 1856}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 53   and name HD1 ))
 ASSI { 1859}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
      3.400     1.400     1.400 peak  1859 spectrum    1 weight  0.10000E+01 volume  0.30644E-02 ppm1      7.728 ppm2      2.462 CV     1
 OR { 1859}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HG1 ))
 ASSI { 1861}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
      2.500     0.800     0.800 peak  1861 spectrum    1 weight  0.10000E+01 volume  0.51008E-02 ppm1      7.727 ppm2      2.134 CV     1
 OR { 1861}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
 ASSI { 1865}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
      4.700     2.700     1.300 peak  1865 spectrum    1 weight  0.10000E+01 volume  0.31719E-03 ppm1      7.726 ppm2      1.575 CV     1
 OR { 1865}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 49   and name HB% )
 ASSI { 1868}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 48   and name HG1%)
      4.300     2.300     1.700 peak  1868 spectrum    1 weight  0.10000E+01 volume  0.36645E-03 ppm1      7.730 ppm2      1.008 CV     1
 OR { 1868}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 56   and name HG2%)
 ASSI { 1869}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 53   and name HG1 ))
      5.900     4.400     0.100 peak  1869 spectrum    1 weight  0.10000E+01 volume  0.20669E-03 ppm1      7.729 ppm2      0.896 CV     1
 OR { 1869}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 47   and name HG1%)
 OR { 1869}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 11   and name HD2%)
 ASSI { 1870}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 53   and name HG1 ))
      5.900     4.400     0.100 peak  1870 spectrum    1 weight  0.10000E+01 volume  0.23072E-03 ppm1      7.718 ppm2      0.849 CV     1
 OR { 1870}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 47   and name HG1%)
 ASSI { 1874}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      3.200     1.300     1.300 peak  1874 spectrum    1 weight  0.10000E+01 volume  0.12957E-02 ppm1      7.729 ppm2      4.228 CV     1
 OR { 1874}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
 ASSI { 1877}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      3.700     1.700     1.700 peak  1877 spectrum    1 weight  0.10000E+01 volume  0.97883E-03 ppm1      7.730 ppm2      3.944 CV     1
 OR { 1877}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
 OR { 1877}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
 ASSI { 1887}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
      2.600     0.800     0.800 peak  1887 spectrum    1 weight  0.10000E+01 volume  0.28849E-02 ppm1      7.727 ppm2      8.859 CV     1
 OR { 1887}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
 ASSI { 1896}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 55   and name HN  ))
      3.400     1.400     1.400 peak  1896 spectrum    1 weight  0.10000E+01 volume  0.20746E-02 ppm1      7.729 ppm2      7.860 CV     1
 OR { 1896}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
 OR { 1896}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
 ASSI { 1897}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 55   and name HN  ))
      3.200     1.300     1.300 peak  1897 spectrum    1 weight  0.10000E+01 volume  0.28229E-02 ppm1      7.728 ppm2      7.826 CV     1
 OR { 1897}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
 ASSI { 1905}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 55   and name HN  ))
      4.200     2.200     1.800 peak  1905 spectrum    1 weight  0.10000E+01 volume  0.56787E-03 ppm1      8.203 ppm2      7.818 CV     1
 OR { 1905}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
 ASSI { 1910}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
      4.700     2.800     1.300 peak  1910 spectrum    1 weight  0.10000E+01 volume  0.30991E-03 ppm1      8.206 ppm2      8.824 CV     1
 OR { 1910}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
 ASSI { 1917}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      3.900     1.900     1.900 peak  1917 spectrum    1 weight  0.10000E+01 volume  0.59998E-03 ppm1      8.205 ppm2      4.232 CV     1
 OR { 1917}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
 ASSI { 1919}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      2.900     1.000     1.000 peak  1919 spectrum    1 weight  0.10000E+01 volume  0.30748E-02 ppm1      8.205 ppm2      3.921 CV     1
 OR { 1919}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
 ASSI { 1922}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HD2 ))
      4.900     3.000     1.100 peak  1922 spectrum    1 weight  0.10000E+01 volume  0.38759E-03 ppm1      8.211 ppm2      2.721 CV     1
 OR { 1922}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
 ASSI { 1923}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HG1 ))
      4.800     2.900     1.200 peak  1923 spectrum    1 weight  0.10000E+01 volume  0.32903E-03 ppm1      8.211 ppm2      2.438 CV     1
 OR { 1923}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
 ASSI { 1924}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
      3.100     1.200     1.200 peak  1924 spectrum    1 weight  0.10000E+01 volume  0.16718E-02 ppm1      8.201 ppm2      2.136 CV     1
 OR { 1924}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
 ASSI { 1943}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
      5.100     3.200     0.900 peak  1943 spectrum    1 weight  0.10000E+01 volume  0.34537E-03 ppm1      8.132 ppm2      0.529 CV     1
 OR { 1943}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
 OR { 1943}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 7    and name HD1%)
 ASSI { 1949}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 56   and name HB  ))
      5.000     3.100     1.000 peak  1949 spectrum    1 weight  0.10000E+01 volume  0.20432E-03 ppm1      8.132 ppm2      2.038 CV     1
 OR { 1949}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 76   and name HG11))
 ASSI { 1953}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HD1 ))
      5.500     3.800     0.500 peak  1953 spectrum    1 weight  0.10000E+01 volume  0.23352E-03 ppm1      8.132 ppm2      2.851 CV     1
 OR { 1953}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 51   and name HG1 ))
 ASSI { 1954}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
      2.400     0.700     0.700 peak  1954 spectrum    1 weight  0.10000E+01 volume  0.32832E-02 ppm1      8.130 ppm2      2.742 CV     1
 OR { 1954}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HD2 ))
 ASSI { 1960}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      3.600     1.600     1.600 peak  1960 spectrum    1 weight  0.10000E+01 volume  0.12034E-02 ppm1      8.130 ppm2      3.928 CV     1
 OR { 1960}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
 ASSI { 1963}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 55   and name HN  ))
      2.200     0.600     0.600 peak  1963 spectrum    1 weight  0.10000E+01 volume  0.48368E-02 ppm1      8.130 ppm2      7.833 CV     1
 OR { 1963}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
 ASSI { 1999}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
      3.900     1.900     1.900 peak  1999 spectrum    1 weight  0.10000E+01 volume  0.58696E-03 ppm1      7.825 ppm2      2.548 CV     1
 OR { 1999}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
 ASSI { 2002}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 58   and name HG11))
      5.500     3.800     0.500 peak  2002 spectrum    1 weight  0.10000E+01 volume  0.16696E-03 ppm1      7.825 ppm2      1.511 CV     1
 OR { 2002}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 50   and name HB% )
 ASSI { 2003}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 57   and name HB2 ))
      5.400     3.600     0.600 peak  2003 spectrum    1 weight  0.10000E+01 volume  0.25301E-03 ppm1      7.826 ppm2      1.683 CV     1
 OR { 2003}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 57   and name HB1 ))
 OR { 2003}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 57   and name HD2 ))
 OR { 2003}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
 ASSI { 2004}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 58   and name HD1%)
      4.900     3.100     1.100 peak  2004 spectrum    1 weight  0.10000E+01 volume  0.21390E-03 ppm1      7.829 ppm2      0.538 CV     1
 OR { 2004}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
 ASSI { 2008}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
      2.500     0.800     0.800 peak  2008 spectrum    1 weight  0.10000E+01 volume  0.50976E-02 ppm1      9.879 ppm2      1.681 CV     1
 OR { 2008}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HB1 ))
 OR { 2008}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HB2 ))
 OR { 2008}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HD2 ))
 ASSI { 2009}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HG11))
      2.700     0.900     0.900 peak  2009 spectrum    1 weight  0.10000E+01 volume  0.21865E-02 ppm1      9.879 ppm2      1.534 CV     1
 OR { 2009}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 50   and name HB% )
 ASSI { 2012}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 56   and name HG1%)
      4.600     2.700     1.400 peak  2012 spectrum    1 weight  0.10000E+01 volume  0.37943E-03 ppm1      9.879 ppm2      0.955 CV     1
 OR { 2012}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 47   and name HG2%)
 OR { 2012}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 76   and name HG12))
 OR { 2012}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 56   and name HG2%)
 ASSI { 2013}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 47   and name HG1%)
      3.400     1.400     1.400 peak  2013 spectrum    1 weight  0.10000E+01 volume  0.15694E-02 ppm1      9.879 ppm2      0.860 CV     1
 OR { 2013}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HG12))
 OR { 2013}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 47   and name HG2%)
 ASSI { 2016}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 58   and name HD1%)
      2.900     1.100     1.100 peak  2016 spectrum    1 weight  0.10000E+01 volume  0.85230E-03 ppm1      9.879 ppm2      0.574 CV     1
 OR { 2016}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 76   and name HD1%)
 ASSI { 2026}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 59   and name HB1 ))
      5.000     3.100     1.000 peak  2026 spectrum    1 weight  0.10000E+01 volume  0.23493E-03 ppm1      9.880 ppm2      2.401 CV     1
 OR { 2026}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 62   and name HB1 ))
 OR { 2026}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
 ASSI { 2030}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 59   and name HG1 ))
      5.400     3.700     0.600 peak  2030 spectrum    1 weight  0.10000E+01 volume  0.20983E-03 ppm1      9.879 ppm2      2.013 CV     1
 OR { 2030}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 56   and name HB  ))
 OR { 2030}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 76   and name HG11))
 ASSI { 2085}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HB1 ))
      3.100     1.200     1.200 peak  2085 spectrum    1 weight  0.10000E+01 volume  0.37988E-02 ppm1      8.672 ppm2      2.623 CV     1
 OR { 2085}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
 OR { 2085}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HB1 ))
 ASSI { 2087}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 59   and name HB1 ))
      4.100     2.100     1.900 peak  2087 spectrum    1 weight  0.10000E+01 volume  0.78803E-03 ppm1      8.674 ppm2      2.394 CV     1
 OR { 2087}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 62   and name HB1 ))
 OR { 2087}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
 ASSI { 2090}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
      5.900     4.400     0.100 peak  2090 spectrum    1 weight  0.10000E+01 volume  0.12969E-03 ppm1      8.677 ppm2      1.674 CV     1
 OR { 2090}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 64   and name HD2 ))
 OR { 2090}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 64   and name HD1 ))
 ASSI { 2092}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 47   and name HG1%)
      4.700     2.700     1.300 peak  2092 spectrum    1 weight  0.10000E+01 volume  0.29138E-03 ppm1      8.677 ppm2      0.902 CV     1
 OR { 2092}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 47   and name HG2%)
 OR { 2092}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 63   and name HG2%)
 ASSI { 2093}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 63   and name HG1%)
      4.300     2.300     1.700 peak  2093 spectrum    1 weight  0.10000E+01 volume  0.40078E-03 ppm1      8.675 ppm2      0.820 CV     1
 OR { 2093}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 47   and name HG1%)
 ASSI { 2146}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HB1 ))
      4.800     2.900     1.200 peak  2146 spectrum    1 weight  0.10000E+01 volume  0.37494E-03 ppm1      7.579 ppm2      1.779 CV     1
 OR { 2146}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 66   and name HG  ))
 OR { 2146}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
 ASSI { 2147}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
      5.600     3.900     0.400 peak  2147 spectrum    1 weight  0.10000E+01 volume  0.22255E-03 ppm1      7.579 ppm2      1.685 CV     1
 OR { 2147}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HD2 ))
 OR { 2147}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HD1 ))
 ASSI { 2154}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 63   and name HG2%)
      3.000     1.100     1.100 peak  2154 spectrum    1 weight  0.10000E+01 volume  0.53617E-02 ppm1      7.576 ppm2      0.896 CV     1
 OR { 2154}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 47   and name HG2%)
 OR { 2154}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 40   and name H4A ))
 ASSI { 2158}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 66   and name HD2%)
      5.300     3.600     0.700 peak  2158 spectrum    1 weight  0.10000E+01 volume  0.33198E-03 ppm1      7.580 ppm2      0.587 CV     1
 OR { 2158}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 58   and name HD1%)
 ASSI { 2173}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 61   and name HB1 ))
      5.000     3.100     1.000 peak  2173 spectrum    1 weight  0.10000E+01 volume  0.13971E-03 ppm1      7.175 ppm2      2.627 CV     1
 OR { 2173}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
 ASSI { 2174}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 40   and name H38B))
      5.400     3.600     0.600 peak  2174 spectrum    1 weight  0.10000E+01 volume  0.16708E-03 ppm1      7.172 ppm2      2.439 CV     1
 OR { 2174}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 40   and name H38A))
 OR { 2174}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
 OR { 2174}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 62   and name HB1 ))
 ASSI { 2175}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HE1 ))
      5.400     3.700     0.600 peak  2175 spectrum    1 weight  0.10000E+01 volume  0.18132E-03 ppm1      7.174 ppm2      3.015 CV     1
 OR { 2175}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HE2 ))
 OR { 2175}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 65   and name HB1 ))
 ASSI { 2176}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      3.100     1.200     1.200 peak  2176 spectrum    1 weight  0.10000E+01 volume  0.10664E-02 ppm1      7.173 ppm2      3.206 CV     1
 OR { 2176}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 40   and name H42A))
 OR { 2176}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 40   and name H42B))
 ASSI { 2193}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 66   and name HN  ))
      4.100     2.100     1.900 peak  2193 spectrum    1 weight  0.10000E+01 volume  0.81709E-03 ppm1      7.174 ppm2      7.692 CV     1
 OR { 2193}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 65   and name HD22))
 ASSI { 2205}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 66   and name HN  ))
      2.500     0.800     0.800 peak  2205 spectrum    1 weight  0.10000E+01 volume  0.58353E-02 ppm1      7.267 ppm2      7.716 CV     1
 OR { 2205}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HD22))
 ASSI { 2221}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      4.700     2.700     1.300 peak  2221 spectrum    1 weight  0.10000E+01 volume  0.31894E-03 ppm1      7.267 ppm2      4.478 CV     1
 OR { 2221}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
 ASSI { 2222}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      4.600     2.700     1.400 peak  2222 spectrum    1 weight  0.10000E+01 volume  0.60222E-04 ppm1      7.270 ppm2      4.315 CV     1
 OR { 2222}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 68   and name HB  ))
 ASSI { 2224}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HB1 ))
      3.600     1.700     1.700 peak  2224 spectrum    1 weight  0.10000E+01 volume  0.18593E-02 ppm1      7.268 ppm2      3.052 CV     1
 OR { 2224}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HE1 ))
 ASSI { 2227}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 63   and name HB  ))
      5.200     3.400     0.800 peak  2227 spectrum    1 weight  0.10000E+01 volume  0.20455E-03 ppm1      7.261 ppm2      2.018 CV     1
 OR { 2227}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 67   and name HB1 ))
 OR { 2227}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
 ASSI { 2228}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 40   and name H38B))
      3.700     1.700     1.700 peak  2228 spectrum    1 weight  0.10000E+01 volume  0.17402E-03 ppm1      7.265 ppm2      2.477 CV     1
 OR { 2228}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 40   and name H38A))
 OR { 2228}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
 ASSI { 2230}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 66   and name HG  ))
      3.100     1.200     1.200 peak  2230 spectrum    1 weight  0.10000E+01 volume  0.20750E-02 ppm1      7.267 ppm2      1.789 CV     1
 OR { 2230}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
 OR { 2230}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HB1 ))
 ASSI { 2232}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 67   and name HG1 ))
      6.000     4.800     0.000 peak  2232 spectrum    1 weight  0.10000E+01 volume  0.12915E-03 ppm1      7.267 ppm2      1.569 CV     1
 OR { 2232}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 72   and name HB% )
 ASSI { 2235}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 66   and name HB2 ))
      4.800     2.800     1.200 peak  2235 spectrum    1 weight  0.10000E+01 volume  0.25279E-03 ppm1      7.268 ppm2      0.910 CV     1
 OR { 2235}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 63   and name HG2%)
 ASSI { 2236}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 63   and name HG1%)
      5.100     3.200     0.900 peak  2236 spectrum    1 weight  0.10000E+01 volume  0.20309E-03 ppm1      7.268 ppm2      0.819 CV     1
 OR { 2236}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 40   and name H4A ))
 OR { 2236}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 40   and name H4B ))
 ASSI { 2237}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 66   and name HD2%)
      4.400     2.400     1.600 peak  2237 spectrum    1 weight  0.10000E+01 volume  0.48007E-03 ppm1      7.267 ppm2      0.599 CV     1
 OR { 2237}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 40   and name H6% )
 ASSI { 2243}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 40   and name H37B))
      4.200     2.200     1.800 peak  2243 spectrum    1 weight  0.10000E+01 volume  0.11937E-03 ppm1      7.718 ppm2      3.471 CV     1
 OR { 2243}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 40   and name H37A))
 OR { 2243}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
 ASSI { 2245}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HB1 ))
      4.600     2.700     1.400 peak  2245 spectrum    1 weight  0.10000E+01 volume  0.54453E-03 ppm1      7.716 ppm2      3.077 CV     1
 OR { 2245}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
 OR { 2245}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
 ASSI { 2253}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 67   and name HB1 ))
      4.900     3.000     1.100 peak  2253 spectrum    1 weight  0.10000E+01 volume  0.38745E-03 ppm1      7.718 ppm2      2.057 CV     1
 OR { 2253}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 63   and name HB  ))
 OR { 2253}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
 ASSI { 2254}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 63   and name HB  ))
      5.500     3.800     0.500 peak  2254 spectrum    1 weight  0.10000E+01 volume  0.14384E-03 ppm1      7.717 ppm2      1.992 CV     1
 OR { 2254}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 76   and name HG11))
 OR { 2254}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 74   and name HB1 ))
 ASSI { 2256}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HG  ))
      2.300     0.700     0.700 peak  2256 spectrum    1 weight  0.10000E+01 volume  0.50360E-02 ppm1      7.716 ppm2      1.793 CV     1
 OR { 2256}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
 ASSI { 2257}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 64   and name HD1 ))
      3.900     1.900     1.900 peak  2257 spectrum    1 weight  0.10000E+01 volume  0.46034E-03 ppm1      7.715 ppm2      1.701 CV     1
 OR { 2257}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 64   and name HD2 ))
 OR { 2257}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
 ASSI { 2258}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 67   and name HG1 ))
      5.800     4.200     0.200 peak  2258 spectrum    1 weight  0.10000E+01 volume  0.26194E-03 ppm1      7.718 ppm2      1.572 CV     1
 OR { 2258}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 72   and name HB% )
 ASSI { 2266}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 63   and name HG1%)
      4.600     2.600     1.400 peak  2266 spectrum    1 weight  0.10000E+01 volume  0.34668E-03 ppm1      7.714 ppm2      0.815 CV     1
 OR { 2266}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 40   and name H4A ))
 OR { 2266}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 40   and name H4B ))
 ASSI { 2284}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      2.700     0.900     0.900 peak  2284 spectrum    1 weight  0.10000E+01 volume  0.26488E-02 ppm1      7.716 ppm2      4.484 CV     1
 OR { 2284}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
 ASSI { 2286}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
      5.400     3.600     0.600 peak  2286 spectrum    1 weight  0.10000E+01 volume  0.18278E-03 ppm1      7.712 ppm2      8.608 CV     1
 OR { 2286}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
 ASSI { 2289}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 40   and name H41A))
      3.100     3.100     2.900 peak  2289 spectrum    1 weight  0.10000E+01 volume  0.91538E-03 ppm1      7.716 ppm2      8.050 CV     1
 OR { 2289}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
 ASSI { 2309}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      4.700     2.700     1.300 peak  2309 spectrum    1 weight  0.10000E+01 volume  0.15915E-03 ppm1      8.209 ppm2      4.885 CV     1
 OR { 2309}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
 ASSI { 2310}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      2.200     0.600     0.600 peak  2310 spectrum    1 weight  0.10000E+01 volume  0.93315E-02 ppm1      8.209 ppm2      4.485 CV     1
 OR { 2310}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
 ASSI { 2311}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
      3.600     1.700     1.700 peak  2311 spectrum    1 weight  0.10000E+01 volume  0.20098E-02 ppm1      8.210 ppm2      3.114 CV     1
 OR { 2311}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HE2 ))
 OR { 2311}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HE1 ))
 ASSI { 2316}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 40   and name H38B))
      3.800     3.800     2.200 peak  2316 spectrum    1 weight  0.10000E+01 volume  0.14576E-03 ppm1      8.205 ppm2      2.478 CV     1
 OR { 2316}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 40   and name H38A))
 OR { 2316}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
 ASSI { 2321}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HD1 ))
      4.300     2.300     1.700 peak  2321 spectrum    1 weight  0.10000E+01 volume  0.90894E-03 ppm1      8.210 ppm2      1.769 CV     1
 OR { 2321}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HD2 ))
 OR { 2321}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HG  ))
 ASSI { 2326}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HB2 ))
      3.700     1.800     1.800 peak  2326 spectrum    1 weight  0.10000E+01 volume  0.58824E-03 ppm1      8.211 ppm2      0.965 CV     1
 OR { 2326}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 40   and name H5B ))
 ASSI { 2327}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 63   and name HG2%)
      4.900     3.000     1.100 peak  2327 spectrum    1 weight  0.10000E+01 volume  0.29311E-03 ppm1      8.216 ppm2      0.869 CV     1
 OR { 2327}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 40   and name H4A ))
 OR { 2327}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 40   and name H4B ))
 OR { 2327}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 11   and name HD1%)
 ASSI { 2329}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 66   and name HD2%)
      4.000     2.000     2.000 peak  2329 spectrum    1 weight  0.10000E+01 volume  0.12264E-02 ppm1      8.209 ppm2      0.601 CV     1
 OR { 2329}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 40   and name H6% )
 ASSI { 2335}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HD2 ))
      4.700     2.800     1.300 peak  2335 spectrum    1 weight  0.10000E+01 volume  0.28314E-03 ppm1      8.596 ppm2      1.763 CV     1
 OR { 2335}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HD1 ))
 OR { 2335}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 66   and name HG  ))
 ASSI { 2336}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HG1 ))
      3.800     1.800     1.800 peak  2336 spectrum    1 weight  0.10000E+01 volume  0.46491E-03 ppm1      8.597 ppm2      1.577 CV     1
 OR { 2336}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 72   and name HB% )
 ASSI { 2339}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 66   and name HB2 ))
      4.600     2.600     1.400 peak  2339 spectrum    1 weight  0.10000E+01 volume  0.32534E-03 ppm1      8.597 ppm2      0.969 CV     1
 OR { 2339}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 40   and name H5A ))
 ASSI { 2340}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 66   and name HD2%)
      5.100     3.300     0.900 peak  2340 spectrum    1 weight  0.10000E+01 volume  0.40160E-03 ppm1      8.601 ppm2      0.606 CV     1
 OR { 2340}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 69   and name HG2%)
 OR { 2340}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 40   and name H6% )
 ASSI { 2341}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 69   and name HG1%)
      5.800     4.200     0.200 peak  2341 spectrum    1 weight  0.10000E+01 volume  0.21349E-03 ppm1      8.597 ppm2      0.444 CV     1
 OR { 2341}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 66   and name HD1%)
 ASSI { 2346}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      3.000     1.100     1.100 peak  2346 spectrum    1 weight  0.10000E+01 volume  0.23137E-02 ppm1      8.599 ppm2      4.489 CV     1
 OR { 2346}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
 OR { 2346}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
 ASSI { 2349}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
      5.900     4.300     0.100 peak  2349 spectrum    1 weight  0.10000E+01 volume  0.13973E-03 ppm1      8.599 ppm2      4.113 CV     1
 OR { 2349}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
 OR { 2349}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
 ASSI { 2356}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HN  ))
      2.600     0.900     0.900 peak  2356 spectrum    1 weight  0.10000E+01 volume  0.49862E-02 ppm1      8.598 ppm2      8.207 CV     1
 OR { 2356}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 72   and name HN  ))
 OR { 2356}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
 ASSI { 2379}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      4.200     2.200     1.800 peak  2379 spectrum    1 weight  0.10000E+01 volume  0.55563E-03 ppm1      8.142 ppm2      4.509 CV     1
 OR { 2379}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
 OR { 2379}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
 ASSI { 2380}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      4.400     2.500     1.600 peak  2380 spectrum    1 weight  0.10000E+01 volume  0.34055E-03 ppm1      8.139 ppm2      4.449 CV     1
 OR { 2380}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
 ASSI { 2383}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      4.800     2.900     1.200 peak  2383 spectrum    1 weight  0.10000E+01 volume  0.20040E-03 ppm1      8.138 ppm2      4.099 CV     1
 OR { 2383}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
 ASSI { 2385}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      4.400     2.400     1.600 peak  2385 spectrum    1 weight  0.10000E+01 volume  0.74501E-03 ppm1      8.139 ppm2      3.578 CV     1
 OR { 2385}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
 ASSI { 2387}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 35   and name HB1 ))
      4.900     3.000     1.100 peak  2387 spectrum    1 weight  0.10000E+01 volume  0.79648E-04 ppm1      8.136 ppm2      3.046 CV     1
 OR { 2387}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 74   and name HE2 ))
 OR { 2387}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 74   and name HE1 ))
 ASSI { 2391}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 72   and name HB% )
      4.900     3.000     1.100 peak  2391 spectrum    1 weight  0.10000E+01 volume  0.15007E-03 ppm1      8.137 ppm2      1.582 CV     1
 OR { 2391}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
 ASSI { 2394}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 28   and name HD1%)
      5.200     3.400     0.800 peak  2394 spectrum    1 weight  0.10000E+01 volume  0.35258E-03 ppm1      8.144 ppm2      0.799 CV     1
 OR { 2394}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 36   and name HD2%)
 ASSI { 2397}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 68   and name HG2%)
      4.400     2.500     1.600 peak  2397 spectrum    1 weight  0.10000E+01 volume  0.67553E-03 ppm1      9.410 ppm2      1.060 CV     1
 OR { 2397}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 8    and name HG2%)
 OR { 2397}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 73   and name HG2%)
 ASSI { 2398}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 28   and name HD2%)
      5.100     3.300     0.900 peak  2398 spectrum    1 weight  0.10000E+01 volume  0.41229E-03 ppm1      9.410 ppm2      0.899 CV     1
 OR { 2398}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 11   and name HD1%)
 ASSI { 2400}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 26   and name HG1%)
      3.700     1.800     1.800 peak  2400 spectrum    1 weight  0.10000E+01 volume  0.16312E-03 ppm1      9.413 ppm2      0.736 CV     1
 OR { 2400}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 36   and name HD2%)
 ASSI { 2405}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
      4.300     2.300     1.700 peak  2405 spectrum    1 weight  0.10000E+01 volume  0.13749E-03 ppm1      9.413 ppm2      2.043 CV     1
 OR { 2405}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
 OR { 2405}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 8    and name HB  ))
 OR { 2405}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 4    and name HB2 ))
 OR { 2405}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 76   and name HG11))
 ASSI { 2407}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 72   and name HB% )
      4.900     3.000     1.100 peak  2407 spectrum    1 weight  0.10000E+01 volume  0.13686E-03 ppm1      9.408 ppm2      1.582 CV     1
 OR { 2407}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
 OR { 2407}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 7    and name HG11))
 ASSI { 2411}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 4    and name HG2 ))
      5.800     4.200     0.200 peak  2411 spectrum    1 weight  0.10000E+01 volume  0.12309E-03 ppm1      9.405 ppm2      2.182 CV     1
 OR { 2411}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 66   and name HB1 ))
 ASSI { 2422}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      4.100     2.100     1.900 peak  2422 spectrum    1 weight  0.10000E+01 volume  0.46025E-03 ppm1      9.411 ppm2      4.486 CV     1
 OR { 2422}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
 OR { 2422}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
 ASSI { 2434}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 71   and name HN  ))
      2.700     0.900     0.900 peak  2434 spectrum    1 weight  0.10000E+01 volume  0.18735E-02 ppm1      9.411 ppm2      8.341 CV     1
 OR { 2434}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
 ASSI { 2435}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      4.000     2.000     2.000 peak  2435 spectrum    1 weight  0.10000E+01 volume  0.25712E-03 ppm1      9.408 ppm2      8.239 CV     1
 OR { 2435}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 67   and name HN  ))
 OR { 2435}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 78   and name HN  ))
 ASSI { 2436}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HN  ))
      2.600     0.900     0.900 peak  2436 spectrum    1 weight  0.10000E+01 volume  0.20756E-02 ppm1      9.410 ppm2      8.141 CV     1
 OR { 2436}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 72   and name HN  ))
 ASSI { 2446}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      2.900     1.000     1.000 peak  2446 spectrum    1 weight  0.10000E+01 volume  0.31609E-02 ppm1      8.341 ppm2      4.502 CV     1
 OR { 2446}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
 ASSI { 2463}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 68   and name HG2%)
      4.400     2.400     1.600 peak  2463 spectrum    1 weight  0.10000E+01 volume  0.75789E-03 ppm1      8.343 ppm2      1.058 CV     1
 OR { 2463}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 73   and name HG2%)
 ASSI { 2466}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 66   and name HD2%)
      4.900     3.000     1.100 peak  2466 spectrum    1 weight  0.10000E+01 volume  0.38177E-03 ppm1      8.340 ppm2      0.631 CV     1
 OR { 2466}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 40   and name H6% )
 ASSI { 2473}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      3.800     1.800     1.800 peak  2473 spectrum    1 weight  0.10000E+01 volume  0.94964E-03 ppm1      8.346 ppm2      8.602 CV     1
 OR { 2473}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
 ASSI { 2477}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 71   and name HN  ))
      3.100     1.200     1.200 peak  2477 spectrum    1 weight  0.10000E+01 volume  0.18436E-02 ppm1      8.642 ppm2      8.364 CV     1
 OR { 2477}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
 ASSI { 2485}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      3.400     1.500     1.500 peak  2485 spectrum    1 weight  0.10000E+01 volume  0.19075E-02 ppm1      8.643 ppm2      8.512 CV     1
 OR { 2485}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
 ASSI { 2491}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      5.100     3.300     0.900 peak  2491 spectrum    1 weight  0.10000E+01 volume  0.32318E-03 ppm1      8.645 ppm2      3.931 CV     1
 OR { 2491}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
 OR { 2491}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
 ASSI { 2492}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 70   and name HA2 ))
      3.400     1.500     1.500 peak  2492 spectrum    1 weight  0.10000E+01 volume  0.11843E-02 ppm1      8.644 ppm2      3.781 CV     1
 OR { 2492}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 59   and name HD2 ))
 OR { 2492}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 59   and name HD1 ))
 ASSI { 2496}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      3.500     1.500     1.500 peak  2496 spectrum    1 weight  0.10000E+01 volume  0.56083E-03 ppm1      8.642 ppm2      3.395 CV     1
 OR { 2496}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
 ASSI { 2497}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
      4.900     3.000     1.100 peak  2497 spectrum    1 weight  0.10000E+01 volume  0.32959E-03 ppm1      8.643 ppm2      3.107 CV     1
 OR { 2497}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 75   and name HB1 ))
 OR { 2497}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
 ASSI { 2498}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 64   and name HE1 ))
      6.000     4.700     0.000 peak  2498 spectrum    1 weight  0.10000E+01 volume  0.87304E-04 ppm1      8.661 ppm2      3.002 CV     1
 OR { 2498}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 74   and name HE2 ))
 OR { 2498}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 74   and name HE1 ))
 OR { 2498}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 64   and name HE2 ))
 ASSI { 2499}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 71   and name HB2 ))
      3.900     1.900     1.900 peak  2499 spectrum    1 weight  0.10000E+01 volume  0.12772E-03 ppm1      8.647 ppm2      2.937 CV     1
 OR { 2499}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 71   and name HB2 ))
 ASSI { 2501}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 69   and name HB  ))
      5.800     4.200     0.200 peak  2501 spectrum    1 weight  0.10000E+01 volume  0.74734E-04 ppm1      8.642 ppm2      2.234 CV     1
 OR { 2501}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 4    and name HG1 ))
 OR { 2501}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 40   and name H2A ))
 OR { 2501}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 78   and name HB2 ))
 OR { 2501}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 40   and name H2B ))
 ASSI { 2502}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 66   and name HB1 ))
      5.700     4.000     0.300 peak  2502 spectrum    1 weight  0.10000E+01 volume  0.12149E-03 ppm1      8.636 ppm2      2.143 CV     1
 OR { 2502}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 4    and name HG2 ))
 ASSI { 2504}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 74   and name HB1 ))
      4.600     2.700     1.400 peak  2504 spectrum    1 weight  0.10000E+01 volume  0.61629E-03 ppm1      8.644 ppm2      1.985 CV     1
 OR { 2504}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 63   and name HB  ))
 OR { 2504}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 59   and name HG1 ))
 OR { 2504}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 76   and name HG11))
 ASSI { 2505}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 76   and name HB  ))
      6.000     6.000     0.000 peak  2505 spectrum    1 weight  0.10000E+01 volume  0.18013E-05 ppm1      8.633 ppm2      1.830 CV     1
 OR { 2505}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 7    and name HB  ))
 OR { 2505}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 64   and name HB1 ))
 OR { 2505}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 66   and name HG  ))
 ASSI { 2506}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 76   and name HB  ))
      5.000     3.100     1.000 peak  2506 spectrum    1 weight  0.10000E+01 volume  0.32013E-03 ppm1      8.643 ppm2      1.763 CV     1
 OR { 2506}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 7    and name HB  ))
 OR { 2506}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 74   and name HD1 ))
 OR { 2506}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 77   and name HB1 ))
 OR { 2506}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 66   and name HG  ))
 OR { 2506}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
 ASSI { 2510}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 76   and name HD1%)
      3.800     1.800     1.800 peak  2510 spectrum    1 weight  0.10000E+01 volume  0.11077E-02 ppm1      8.643 ppm2      0.642 CV     1
 OR { 2510}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 66   and name HD2%)
 OR { 2510}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 40   and name H6% )
 ASSI { 2511}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 66   and name HD1%)
      4.800     2.800     1.200 peak  2511 spectrum    1 weight  0.10000E+01 volume  0.26272E-03 ppm1      8.644 ppm2      0.441 CV     1
 OR { 2511}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 69   and name HG1%)
 ASSI { 2512}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 11   and name HD1%)
      3.400     1.500     1.500 peak  2512 spectrum    1 weight  0.10000E+01 volume  0.14905E-02 ppm1      8.646 ppm2      0.831 CV     1
 OR { 2512}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 63   and name HG1%)
 OR { 2512}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 47   and name HG1%)
 OR { 2512}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 28   and name HD1%)
 OR { 2512}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 11   and name HD2%)
 OR { 2512}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 58   and name HG12))
 OR { 2512}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI { 2513}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
      4.200     2.200     1.800 peak  2513 spectrum    1 weight  0.10000E+01 volume  0.78127E-03 ppm1      8.644 ppm2      0.555 CV     1
 OR { 2513}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 66   and name HD2%)
 OR { 2513}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 7    and name HD1%)
 OR { 2513}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
 ASSI { 2515}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 66   and name HD2%)
      4.700     2.700     1.300 peak  2515 spectrum    1 weight  0.10000E+01 volume  0.37596E-03 ppm1      8.040 ppm2      0.562 CV     1
 OR { 2515}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 7    and name HD1%)
 OR { 2515}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
 OR { 2515}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
 ASSI { 2525}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HD1 ))
      4.300     2.300     1.700 peak  2525 spectrum    1 weight  0.10000E+01 volume  0.57189E-03 ppm1      8.044 ppm2      1.771 CV     1
 OR { 2525}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 76   and name HB  ))
 OR { 2525}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 77   and name HB1 ))
 OR { 2525}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 7    and name HB  ))
 ASSI { 2526}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HD2 ))
      5.000     3.100     1.000 peak  2526 spectrum    1 weight  0.10000E+01 volume  0.36165E-03 ppm1      8.041 ppm2      1.668 CV     1
 OR { 2526}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
 OR { 2526}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 18   and name HB  ))
 OR { 2526}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 18   and name HG11))
 ASSI { 2527}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 72   and name HB% )
      4.600     2.600     1.400 peak  2527 spectrum    1 weight  0.10000E+01 volume  0.40920E-03 ppm1      8.041 ppm2      1.591 CV     1
 OR { 2527}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 18   and name HB  ))
 OR { 2527}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 7    and name HG11))
 ASSI { 2533}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HB  ))
      2.700     0.900     0.900 peak  2533 spectrum    1 weight  0.10000E+01 volume  0.40313E-02 ppm1      8.041 ppm2      4.185 CV     1
 OR { 2533}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
 ASSI { 2536}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      2.700     0.900     0.900 peak  2536 spectrum    1 weight  0.10000E+01 volume  0.34463E-02 ppm1      8.040 ppm2      3.942 CV     1
 OR { 2536}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
 ASSI { 2539}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      2.900     1.000     1.000 peak  2539 spectrum    1 weight  0.10000E+01 volume  0.22109E-02 ppm1      8.040 ppm2      3.661 CV     1
 OR { 2539}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
 ASSI { 2546}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 75   and name HN  ))
      2.300     0.700     0.700 peak  2546 spectrum    1 weight  0.10000E+01 volume  0.48250E-02 ppm1      8.041 ppm2      7.943 CV     1
 OR { 2546}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 48   and name HN  ))
 ASSI { 2550}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      4.300     2.300     1.700 peak  2550 spectrum    1 weight  0.10000E+01 volume  0.42427E-03 ppm1      8.040 ppm2      8.545 CV     1
 OR { 2550}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
 ASSI { 2557}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 79   and name HD2 ))
      5.600     4.000     0.400 peak  2557 spectrum    1 weight  0.10000E+01 volume  0.20035E-03 ppm1      7.951 ppm2      7.003 CV     1
 OR { 2557}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 32   and name HE% )
 ASSI { 2560}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      2.600     0.800     0.800 peak  2560 spectrum    1 weight  0.10000E+01 volume  0.42253E-02 ppm1      7.945 ppm2      3.944 CV     1
 OR { 2560}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
 ASSI { 2571}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      5.300     3.500     0.700 peak  2571 spectrum    1 weight  0.10000E+01 volume  0.25746E-03 ppm1      8.504 ppm2      4.376 CV     1
 OR { 2571}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
 OR { 2571}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
 ASSI { 2572}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      2.600     0.800     0.800 peak  2572 spectrum    1 weight  0.10000E+01 volume  0.34530E-02 ppm1      8.504 ppm2      3.902 CV     1
 OR { 2572}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
 OR { 2572}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
 OR { 2572}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
 ASSI { 2573}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 79   and name HB1 ))
      6.000     5.100     0.000 peak  2573 spectrum    1 weight  0.10000E+01 volume  0.10003E-03 ppm1      8.516 ppm2      3.608 CV     1
 OR { 2573}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 79   and name HB1 ))
 ASSI { 2575}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 75   and name HD% )
      3.500     1.500     1.500 peak  2575 spectrum    1 weight  0.10000E+01 volume  0.11056E-02 ppm1      8.509 ppm2      6.818 CV     1
 OR { 2575}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 75   and name HD% )
 ASSI { 2579}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HN  ))
      2.500     0.800     0.800 peak  2579 spectrum    1 weight  0.10000E+01 volume  0.24923E-02 ppm1      8.512 ppm2      7.943 CV     1
 OR { 2579}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 75   and name HN  ))
 ASSI { 2587}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 78   and name HN  ))
      2.800     1.000     1.000 peak  2587 spectrum    1 weight  0.10000E+01 volume  0.21048E-02 ppm1      8.503 ppm2      8.295 CV     1
 OR { 2587}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 78   and name HN  ))
 ASSI { 2592}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 80   and name HG1 ))
      6.000     5.500     0.000 peak  2592 spectrum    1 weight  0.10000E+01 volume  0.13036E-03 ppm1      8.489 ppm2      2.732 CV     1
 OR { 2592}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
 OR { 2592}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 80   and name HG1 ))
 ASSI { 2595}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 7    and name HG12))
      6.000     4.500     0.000 peak  2595 spectrum    1 weight  0.10000E+01 volume  0.12794E-03 ppm1      8.502 ppm2      0.263 CV     1
 OR { 2595}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 7    and name HG12))
 ASSI { 2623}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      2.900     1.000     1.000 peak  2623 spectrum    1 weight  0.10000E+01 volume  0.23786E-02 ppm1      7.720 ppm2      3.865 CV     1
 OR { 2623}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
 ASSI { 2662}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 77   and name HB1 ))
      4.500     2.500     1.500 peak  2662 spectrum    1 weight  0.10000E+01 volume  0.35095E-03 ppm1      7.728 ppm2      1.788 CV     1
 OR { 2662}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 76   and name HB  ))
 OR { 2662}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 30   and name HG1 ))
 ASSI { 2688}
   (( segid "    " and resid 16   and name HD22))
   (( segid "    " and resid 23   and name HN  ))
      3.300     1.400     1.400 peak  2688 spectrum    1 weight  0.10000E+01 volume  0.12911E-02 ppm1      8.068 ppm2      8.512 CV     1
 OR { 2688}
   (( segid "    " and resid 16   and name HD22))
   (( segid "    " and resid 19   and name HN  ))
 ASSI { 2690}
   (( segid "    " and resid 16   and name HD22))
   (( segid "    " and resid 14   and name HN  ))
      4.500     2.500     1.500 peak  2690 spectrum    1 weight  0.10000E+01 volume  0.21613E-03 ppm1      8.063 ppm2      8.171 CV     1
 OR { 2690}
   (( segid "    " and resid 16   and name HD22))
   (( segid "    " and resid 18   and name HN  ))
 OR { 2690}
   (( segid "    " and resid 16   and name HD22))
   (( segid "    " and resid 69   and name HN  ))
 ASSI { 2694}
   (( segid "    " and resid 16   and name HD21))
   (( segid "    " and resid 23   and name HN  ))
      3.800     1.800     1.800 peak  2694 spectrum    1 weight  0.10000E+01 volume  0.92050E-03 ppm1      6.853 ppm2      8.510 CV     1
 OR { 2694}
   (( segid "    " and resid 16   and name HD21))
   (( segid "    " and resid 19   and name HN  ))
 ASSI { 2717}
   (( segid "    " and resid 16   and name HD22))
   (( segid "    " and resid 22   and name HA  ))
      3.000     3.000     3.000 peak  2717 spectrum    1 weight  0.10000E+01 volume  0.26418E-02 ppm1      8.069 ppm2      4.304 CV     1
 OR { 2717}
   (( segid "    " and resid 16   and name HD22))
   (( segid "    " and resid 21   and name HA  ))
 ASSI { 2718}
   (( segid "    " and resid 16   and name HD22))
   (( segid "    " and resid 9    and name HA  ))
      4.700     2.800     1.300 peak  2718 spectrum    1 weight  0.10000E+01 volume  0.45419E-04 ppm1      8.069 ppm2      4.207 CV     1
 OR { 2718}
   (( segid "    " and resid 16   and name HD22))
   (( segid "    " and resid 11   and name HA  ))
 OR { 2718}
   (( segid "    " and resid 16   and name HD22))
   (( segid "    " and resid 73   and name HB  ))
 ASSI { 2721}
   (( segid "    " and resid 16   and name HD21))
   (( segid "    " and resid 22   and name HA  ))
      3.000     1.100     1.100 peak  2721 spectrum    1 weight  0.10000E+01 volume  0.18742E-02 ppm1      6.854 ppm2      4.304 CV     1
 OR { 2721}
   (( segid "    " and resid 16   and name HD21))
   (( segid "    " and resid 21   and name HA  ))
 ASSI { 2723}
   (( segid "    " and resid 16   and name HD21))
   (( segid "    " and resid 12   and name HA  ))
      4.900     3.100     1.100 peak  2723 spectrum    1 weight  0.10000E+01 volume  0.17042E-03 ppm1      6.861 ppm2      4.069 CV     1
 OR { 2723}
   (( segid "    " and resid 16   and name HD21))
   (( segid "    " and resid 20   and name HA1 ))
 ASSI { 2727}
   (( segid "    " and resid 16   and name HD21))
   (( segid "    " and resid 13   and name HA  ))
      4.400     2.400     1.600 peak  2727 spectrum    1 weight  0.10000E+01 volume  0.47752E-03 ppm1      6.855 ppm2      3.945 CV     1
 OR { 2727}
   (( segid "    " and resid 16   and name HD21))
   (( segid "    " and resid 20   and name HA2 ))
 OR { 2727}
   (( segid "    " and resid 16   and name HD21))
   (( segid "    " and resid 17   and name HA  ))
 OR { 2727}
   (( segid "    " and resid 16   and name HD21))
   (( segid "    " and resid 38   and name HA  ))
 ASSI { 2728}
   (( segid "    " and resid 16   and name HD21))
   (( segid "    " and resid 23   and name HA  ))
      5.300     3.500     0.700 peak  2728 spectrum    1 weight  0.10000E+01 volume  0.21949E-03 ppm1      6.853 ppm2      3.610 CV     1
 OR { 2728}
   (( segid "    " and resid 16   and name HD21))
   (( segid "    " and resid 15   and name HA  ))
 ASSI { 2731}
   (( segid "    " and resid 16   and name HD22))
   (( segid "    " and resid 23   and name HA  ))
      3.800     1.800     1.800 peak  2731 spectrum    1 weight  0.10000E+01 volume  0.28715E-03 ppm1      8.067 ppm2      3.612 CV     1
 OR { 2731}
   (( segid "    " and resid 16   and name HD22))
   (( segid "    " and resid 15   and name HA  ))
 ASSI { 2732}
   (( segid "    " and resid 16   and name HD22))
   (( segid "    " and resid 12   and name HA  ))
      3.800     1.800     1.800 peak  2732 spectrum    1 weight  0.10000E+01 volume  0.36494E-03 ppm1      8.069 ppm2      4.049 CV     1
 OR { 2732}
   (( segid "    " and resid 16   and name HD22))
   (( segid "    " and resid 22   and name HD1 ))
 ASSI { 2733}
   (( segid "    " and resid 16   and name HD22))
   (( segid "    " and resid 13   and name HA  ))
      3.900     1.900     1.900 peak  2733 spectrum    1 weight  0.10000E+01 volume  0.55334E-03 ppm1      8.066 ppm2      3.944 CV     1
 OR { 2733}
   (( segid "    " and resid 16   and name HD22))
   (( segid "    " and resid 20   and name HA2 ))
 OR { 2733}
   (( segid "    " and resid 16   and name HD22))
   (( segid "    " and resid 17   and name HA  ))
 ASSI { 2734}
   (( segid "    " and resid 16   and name HD21))
   (( segid "    " and resid 17   and name HG1 ))
      6.000     6.000     0.000 peak  2734 spectrum    1 weight  0.10000E+01 volume  0.53338E-04 ppm1      6.854 ppm2      2.431 CV     1
 ASSI { 2735}
   (( segid "    " and resid 16   and name HD21))
   (( segid "    " and resid 26   and name HB  ))
      5.700     4.100     0.300 peak  2735 spectrum    1 weight  0.10000E+01 volume  0.21855E-03 ppm1      6.854 ppm2      2.347 CV     1
 OR { 2735}
   (( segid "    " and resid 16   and name HD21))
   (( segid "    " and resid 22   and name HB1 ))
 ASSI { 2736}
   (( segid "    " and resid 16   and name HD21))
   (( segid "    " and resid 15   and name HB  ))
      4.500     2.500     1.500 peak  2736 spectrum    1 weight  0.10000E+01 volume  0.11146E-03 ppm1      6.852 ppm2      2.259 CV     1
 OR { 2736}
   (( segid "    " and resid 16   and name HD21))
   (( segid "    " and resid 17   and name HG2 ))
 ASSI { 2737}
   (( segid "    " and resid 16   and name HD21))
   (( segid "    " and resid 23   and name HB  ))
      6.000     5.000     0.000 peak  2737 spectrum    1 weight  0.10000E+01 volume  0.11136E-03 ppm1      6.856 ppm2      2.034 CV     1
 OR { 2737}
   (( segid "    " and resid 16   and name HD21))
   (( segid "    " and resid 24   and name HB1 ))
 OR { 2737}
   (( segid "    " and resid 16   and name HD21))
   (( segid "    " and resid 24   and name HB2 ))
 ASSI { 2739}
   (( segid "    " and resid 16   and name HD22))
   (( segid "    " and resid 26   and name HB  ))
      5.000     3.200     1.000 peak  2739 spectrum    1 weight  0.10000E+01 volume  0.27332E-03 ppm1      8.068 ppm2      2.346 CV     1
 OR { 2739}
   (( segid "    " and resid 16   and name HD22))
   (( segid "    " and resid 22   and name HB1 ))
 ASSI { 2741}
   (( segid "    " and resid 16   and name HD22))
   (( segid "    " and resid 22   and name HG1 ))
      5.800     4.200     0.200 peak  2741 spectrum    1 weight  0.10000E+01 volume  0.97641E-04 ppm1      8.067 ppm2      2.139 CV     1
 OR { 2741}
   (( segid "    " and resid 16   and name HD22))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI { 2742}
   (( segid "    " and resid 16   and name HD22))
   (( segid "    " and resid 23   and name HB  ))
      5.700     4.100     0.300 peak  2742 spectrum    1 weight  0.10000E+01 volume  0.10547E-03 ppm1      8.060 ppm2      2.043 CV     1
 OR { 2742}
   (( segid "    " and resid 16   and name HD22))
   (( segid "    " and resid 24   and name HB2 ))
 ASSI { 2745}
   (( segid "    " and resid 16   and name HD21))
   (  segid "    " and resid 15   and name HG1%)
      3.700     1.700     1.700 peak  2745 spectrum    1 weight  0.10000E+01 volume  0.10959E-02 ppm1      6.852 ppm2      0.994 CV     1
 OR { 2745}
   (( segid "    " and resid 16   and name HD21))
   (  segid "    " and resid 21   and name HG2%)
 OR { 2745}
   (( segid "    " and resid 16   and name HD21))
   (  segid "    " and resid 23   and name HG2%)
 OR { 2745}
   (( segid "    " and resid 16   and name HD21))
   (  segid "    " and resid 23   and name HG1%)
 ASSI { 2746}
   (( segid "    " and resid 16   and name HD22))
   (  segid "    " and resid 23   and name HG2%)
      3.400     1.400     1.400 peak  2746 spectrum    1 weight  0.10000E+01 volume  0.13950E-02 ppm1      8.069 ppm2      0.995 CV     1
 OR { 2746}
   (( segid "    " and resid 16   and name HD22))
   (  segid "    " and resid 21   and name HG2%)
 OR { 2746}
   (( segid "    " and resid 16   and name HD22))
   (  segid "    " and resid 15   and name HG1%)
 OR { 2746}
   (( segid "    " and resid 16   and name HD22))
   (  segid "    " and resid 23   and name HG1%)
 ASSI { 2748}
   (( segid "    " and resid 16   and name HD22))
   (( segid "    " and resid 21   and name HB  ))
      4.900     3.100     1.100 peak  2748 spectrum    1 weight  0.10000E+01 volume  0.15800E-03 ppm1      8.067 ppm2      1.622 CV     1
 OR { 2748}
   (( segid "    " and resid 16   and name HD22))
   (( segid "    " and resid 36   and name HB2 ))
 ASSI { 2750}
   (( segid "    " and resid 80   and name HE22))
   (( segid "    " and resid 77   and name HN  ))
      3.700     1.700     1.700 peak  2750 spectrum    1 weight  0.10000E+01 volume  0.16954E-03 ppm1      7.733 ppm2      8.490 CV     1
 OR { 2750}
   (( segid "    " and resid 80   and name HE22))
   (( segid "    " and resid 76   and name HN  ))
 ASSI { 2799}
   (( segid "    " and resid 80   and name HE22))
   (  segid "    " and resid 2    and name HB% )
      3.000     1.100     1.100 peak  2799 spectrum    1 weight  0.10000E+01 volume  0.10360E-02 ppm1      7.734 ppm2      1.529 CV     1
 OR { 2799}
   (( segid "    " and resid 80   and name HE22))
   (( segid "    " and resid 7    and name HG11))
 ASSI { 2800}
   (( segid "    " and resid 80   and name HE21))
   (  segid "    " and resid 2    and name HB% )
      3.100     1.200     1.200 peak  2800 spectrum    1 weight  0.10000E+01 volume  0.15863E-02 ppm1      7.654 ppm2      1.525 CV     1
 OR { 2800}
   (( segid "    " and resid 80   and name HE21))
   (( segid "    " and resid 7    and name HG11))
 ASSI { 2818}
   (( segid "    " and resid 80   and name HE22))
   (  segid "    " and resid 76   and name HG2%)
      3.200     1.300     1.300 peak  2818 spectrum    1 weight  0.10000E+01 volume  0.12878E-02 ppm1      7.737 ppm2      0.529 CV     1
 OR { 2818}
   (( segid "    " and resid 80   and name HE22))
   (  segid "    " and resid 7    and name HD1%)
 ASSI { 2819}
   (( segid "    " and resid 80   and name HE21))
   (  segid "    " and resid 76   and name HG2%)
      2.500     0.800     0.800 peak  2819 spectrum    1 weight  0.10000E+01 volume  0.17526E-02 ppm1      7.653 ppm2      0.528 CV     1
 OR { 2819}
   (( segid "    " and resid 80   and name HE21))
   (  segid "    " and resid 7    and name HD1%)
 ASSI { 2877}
   (( segid "    " and resid 4    and name HE22))
   (  segid "    " and resid 8    and name HG2%)
      4.000     2.000     2.000 peak  2877 spectrum    1 weight  0.10000E+01 volume  0.43013E-03 ppm1      7.509 ppm2      1.069 CV     1
 OR { 2877}
   (( segid "    " and resid 4    and name HE22))
   (  segid "    " and resid 73   and name HG2%)
 ASSI { 2879}
   (( segid "    " and resid 4    and name HE22))
   (  segid "    " and resid 28   and name HD1%)
      4.500     2.600     1.500 peak  2879 spectrum    1 weight  0.10000E+01 volume  0.73258E-03 ppm1      7.511 ppm2      0.811 CV     1
 OR { 2879}
   (( segid "    " and resid 4    and name HE22))
   (  segid "    " and resid 77   and name HD1%)
 ASSI { 2886}
   (( segid "    " and resid 4    and name HE21))
   (( segid "    " and resid 28   and name HB1 ))
      5.400     3.600     0.600 peak  2886 spectrum    1 weight  0.10000E+01 volume  0.12079E-03 ppm1      6.832 ppm2      1.765 CV     1
 OR { 2886}
   (( segid "    " and resid 4    and name HE21))
   (( segid "    " and resid 7    and name HB  ))
 OR { 2886}
   (( segid "    " and resid 4    and name HE21))
   (( segid "    " and resid 28   and name HG  ))
 OR { 2886}
   (( segid "    " and resid 4    and name HE21))
   (( segid "    " and resid 76   and name HB  ))
 ASSI { 2888}
   (( segid "    " and resid 4    and name HE21))
   (  segid "    " and resid 8    and name HG2%)
      3.500     3.500     2.500 peak  2888 spectrum    1 weight  0.10000E+01 volume  0.28533E-03 ppm1      6.832 ppm2      1.067 CV     1
 OR { 2888}
   (( segid "    " and resid 4    and name HE21))
   (  segid "    " and resid 73   and name HG2%)
 ASSI { 2894}
   (( segid "    " and resid 4    and name HE22))
   (( segid "    " and resid 28   and name HB1 ))
      5.500     3.700     0.500 peak  2894 spectrum    1 weight  0.10000E+01 volume  0.10879E-03 ppm1      7.510 ppm2      1.761 CV     1
 OR { 2894}
   (( segid "    " and resid 4    and name HE22))
   (( segid "    " and resid 28   and name HG  ))
 OR { 2894}
   (( segid "    " and resid 4    and name HE22))
   (( segid "    " and resid 7    and name HB  ))
 OR { 2894}
   (( segid "    " and resid 4    and name HE22))
   (( segid "    " and resid 27   and name HD1 ))
 ASSI { 2945}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 21   and name HB  ))
      4.400     2.400     1.600 peak  2945 spectrum    1 weight  0.10000E+01 volume  0.89515E-03 ppm1      7.828 ppm2      1.629 CV     1
 OR { 2945}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 18   and name HB  ))
 OR { 2945}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 18   and name HG11))
 ASSI { 2950}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 15   and name HG1%)
      4.000     2.000     2.000 peak  2950 spectrum    1 weight  0.10000E+01 volume  0.68215E-03 ppm1      7.828 ppm2      0.989 CV     1
 OR { 2950}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
 OR { 2950}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 21   and name HG2%)
 OR { 2950}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
 ASSI { 2952}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 18   and name HD1%)
      6.000     5.300     0.000 peak  2952 spectrum    1 weight  0.10000E+01 volume  0.12815E-03 ppm1      7.822 ppm2      0.764 CV     1
 OR { 2952}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 36   and name HD2%)
 OR { 2952}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 26   and name HG1%)
 ASSI { 2956}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HA2 ))
      2.300     0.700     0.700 peak  2956 spectrum    1 weight  0.10000E+01 volume  0.65621E-02 ppm1      7.828 ppm2      3.945 CV     1
 OR { 2956}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 42   and name HB1 ))
 OR { 2956}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
 ASSI { 2961}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
      5.900     4.300     0.100 peak  2961 spectrum    1 weight  0.10000E+01 volume  0.14723E-03 ppm1      7.828 ppm2      3.108 CV     1
 OR { 2961}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
 ASSI { 2962}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      6.000     4.400     0.000 peak  2962 spectrum    1 weight  0.10000E+01 volume  0.14737E-03 ppm1      7.821 ppm2      2.746 CV     1
 OR { 2962}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
 ASSI { 2963}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 15   and name HB  ))
      5.500     3.800     0.500 peak  2963 spectrum    1 weight  0.10000E+01 volume  0.16098E-03 ppm1      7.827 ppm2      2.261 CV     1
 OR { 2963}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
 ASSI {   42}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name H42A))
      4.200     2.200     1.800 peak    42 spectrum    1 weight  0.10000E+01 volume  0.40427E-03 ppm1      4.146 ppm2      3.182 CV     1
 OR {   42}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name H42B))
 OR {   42}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name H42B))
 OR {   42}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name H42A))
 OR {   42}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 40   and name H42B))
 OR {   42}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 40   and name H42A))
 OR {   42}
   (( segid "    " and resid 33   and name HB  ))
   (( segid "    " and resid 40   and name H42B))
 ASSI {   43}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name H43A))
      4.300     2.300     1.700 peak    43 spectrum    1 weight  0.10000E+01 volume  0.40033E-03 ppm1      4.160 ppm2      2.809 CV     1
 OR {   43}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name H43B))
 OR {   43}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name H43A))
 OR {   43}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 40   and name H43A))
 OR {   43}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name H43B))
 OR {   43}
   (( segid "    " and resid 33   and name HB  ))
   (( segid "    " and resid 40   and name H43A))
 OR {   43}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 40   and name H43B))
 ASSI {   61}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 40   and name H43B))
      4.700     2.800     1.300 peak    61 spectrum    1 weight  0.10000E+01 volume  0.56673E-03 ppm1      3.968 ppm2      2.805 CV     1
 OR {   61}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 40   and name H43B))
 OR {   61}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 40   and name H43A))
 OR {   61}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 40   and name H43A))
 ASSI {   62}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 40   and name H42B))
      4.500     2.600     1.500 peak    62 spectrum    1 weight  0.10000E+01 volume  0.79470E-03 ppm1      3.971 ppm2      3.180 CV     1
 OR {   62}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 40   and name H42A))
 OR {   62}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 40   and name H42A))
 OR {   62}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 40   and name H42B))
 ASSI {   69}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 40   and name H3A ))
      3.700     1.700     1.700 peak    69 spectrum    1 weight  0.10000E+01 volume  0.68293E-03 ppm1      0.944 ppm2      1.190 CV     1
 OR {   69}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 40   and name H3A ))
 ASSI {   70}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 40   and name H3B ))
      4.400     2.400     1.600 peak    70 spectrum    1 weight  0.10000E+01 volume  0.63186E-03 ppm1      0.942 ppm2      1.114 CV     1
 OR {   70}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 40   and name H3B ))


 ASSI {    4}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HB  ))
      2.400     0.700     0.700 peak     4 spectrum    1 weight  0.10000E+01 volume  0.74935E-02 ppm1      3.936 ppm2      1.636 CV     1
 OR {    4}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HG11))
 ASSI {    5}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 19   and name HB% )
      4.600     2.600     1.400 peak     5 spectrum    1 weight  0.10000E+01 volume  0.69608E-03 ppm1      3.939 ppm2      1.542 CV     1
 ASSI {    6}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HG12))
      2.400     0.700     0.700 peak     6 spectrum    1 weight  0.10000E+01 volume  0.56979E-02 ppm1      3.937 ppm2      1.320 CV     1
 ASSI {    7}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 14   and name HG2%)
      6.000     5.400     0.000 peak     7 spectrum    1 weight  0.10000E+01 volume  0.96992E-04 ppm1      3.931 ppm2      1.068 CV     1
 ASSI {    9}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 19   and name HA  ))
      4.600     2.600     1.400 peak     9 spectrum    1 weight  0.10000E+01 volume  0.29525E-03 ppm1      3.932 ppm2      4.818 CV     1
 ASSI {   10}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      3.500     1.600     1.600 peak    10 spectrum    1 weight  0.10000E+01 volume  0.11426E-02 ppm1      3.936 ppm2      8.510 CV     1
 ASSI {   11}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      5.200     3.400     0.800 peak    11 spectrum    1 weight  0.10000E+01 volume  0.36421E-03 ppm1      3.936 ppm2      8.322 CV     1
 ASSI {   12}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      2.500     0.800     0.800 peak    12 spectrum    1 weight  0.10000E+01 volume  0.56768E-02 ppm1      3.937 ppm2      8.202 CV     1
 ASSI {   15}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 19   and name HN  ))
      2.200     0.600     0.600 peak    15 spectrum    1 weight  0.10000E+01 volume  0.28788E-02 ppm1      1.633 ppm2      8.513 CV     1
 ASSI {   17}
   (( segid "    " and resid 21   and name HB  ))
   (( segid "    " and resid 21   and name HN  ))
      2.400     0.700     0.700 peak    17 spectrum    1 weight  0.10000E+01 volume  0.46139E-02 ppm1      1.618 ppm2      6.456 CV     1
 ASSI {   19}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 18   and name HA  ))
      2.800     1.000     1.000 peak    19 spectrum    1 weight  0.10000E+01 volume  0.24256E-02 ppm1      1.634 ppm2      3.939 CV     1
 ASSI {   27}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HA  ))
      2.700     0.900     0.900 peak    27 spectrum    1 weight  0.10000E+01 volume  0.36811E-02 ppm1      3.257 ppm2      4.490 CV     1
 ASSI {   28}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HA  ))
      2.700     0.900     0.900 peak    28 spectrum    1 weight  0.10000E+01 volume  0.48674E-02 ppm1      2.555 ppm2      4.487 CV     1
 ASSI {   31}
   (( segid "    " and resid 55   and name HA  ))
   (  segid "    " and resid 56   and name HG1%)
      5.100     3.200     0.900 peak    31 spectrum    1 weight  0.10000E+01 volume  0.33476E-03 ppm1      4.488 ppm2      0.937 CV     1
 OR {   31}
   (( segid "    " and resid 55   and name HA  ))
   (  segid "    " and resid 56   and name HG2%)
 ASSI {   34}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 52   and name HA  ))
      3.500     1.600     1.600 peak    34 spectrum    1 weight  0.10000E+01 volume  0.88939E-03 ppm1      4.486 ppm2      4.129 CV     1
 ASSI {   40}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      2.700     0.900     0.900 peak    40 spectrum    1 weight  0.10000E+01 volume  0.33946E-02 ppm1      4.486 ppm2      8.386 CV     1
 ASSI {   42}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      3.000     1.100     1.100 peak    42 spectrum    1 weight  0.10000E+01 volume  0.18693E-02 ppm1      4.487 ppm2      7.502 CV     1
 ASSI {   44}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 68   and name HN  ))
      3.300     1.400     1.400 peak    44 spectrum    1 weight  0.10000E+01 volume  0.11206E-02 ppm1      4.486 ppm2      8.596 CV     1
 ASSI {   46}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 67   and name HN  ))
      2.200     0.600     0.600 peak    46 spectrum    1 weight  0.10000E+01 volume  0.62382E-02 ppm1      4.485 ppm2      8.206 CV     1
 ASSI {   51}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 71   and name HB1 ))
      2.200     0.600     0.600 peak    51 spectrum    1 weight  0.10000E+01 volume  0.25824E-02 ppm1      4.487 ppm2      3.118 CV     1
 ASSI {   52}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 71   and name HB2 ))
      3.100     1.200     1.200 peak    52 spectrum    1 weight  0.10000E+01 volume  0.43100E-02 ppm1      4.485 ppm2      2.923 CV     1
 ASSI {   54}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HB1 ))
      2.400     0.700     0.700 peak    54 spectrum    1 weight  0.10000E+01 volume  0.24563E-02 ppm1      4.485 ppm2      2.159 CV     1
 ASSI {   56}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HB2 ))
      2.300     0.700     0.700 peak    56 spectrum    1 weight  0.10000E+01 volume  0.92612E-02 ppm1      4.487 ppm2      2.592 CV     1
 ASSI {   57}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 30   and name HD2 ))
      4.400     2.400     1.600 peak    57 spectrum    1 weight  0.10000E+01 volume  0.64634E-03 ppm1      4.485 ppm2      1.472 CV     1
 ASSI {   58}
   (( segid "    " and resid 66   and name HA  ))
   (  segid "    " and resid 66   and name HD2%)
      2.100     0.600     0.600 peak    58 spectrum    1 weight  0.10000E+01 volume  0.75839E-02 ppm1      4.485 ppm2      0.601 CV     1
 ASSI {   59}
   (( segid "    " and resid 66   and name HA  ))
   (  segid "    " and resid 66   and name HD1%)
      4.400     2.400     1.600 peak    59 spectrum    1 weight  0.10000E+01 volume  0.91168E-03 ppm1      4.484 ppm2      0.406 CV     1
 ASSI {   60}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HB2 ))
      2.700     0.900     0.900 peak    60 spectrum    1 weight  0.10000E+01 volume  0.38321E-02 ppm1      4.486 ppm2      0.967 CV     1
 ASSI {   61}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 67   and name HG1 ))
      4.400     2.400     1.600 peak    61 spectrum    1 weight  0.10000E+01 volume  0.40287E-03 ppm1      4.489 ppm2      1.579 CV     1
 ASSI {   63}
   (( segid "    " and resid 2    and name HA  ))
   (  segid "    " and resid 3    and name HG2%)
      3.000     1.100     1.100 peak    63 spectrum    1 weight  0.10000E+01 volume  0.22703E-02 ppm1      4.846 ppm2      1.363 CV     1
 ASSI {   66}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 2    and name HN  ))
      2.700     0.900     0.900 peak    66 spectrum    1 weight  0.10000E+01 volume  0.19907E-02 ppm1      1.568 ppm2      8.840 CV     1
 ASSI {   67}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 3    and name HN  ))
      2.200     0.600     0.600 peak    67 spectrum    1 weight  0.10000E+01 volume  0.40553E-02 ppm1      1.569 ppm2      8.552 CV     1
 ASSI {   68}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 7    and name HN  ))
      3.400     1.500     1.500 peak    68 spectrum    1 weight  0.10000E+01 volume  0.16328E-02 ppm1      1.569 ppm2      8.397 CV     1
 ASSI {   70}
   (  segid "    " and resid 2    and name HB% )
   (  segid "    " and resid 54   and name HD% )
      2.700     0.900     0.900 peak    70 spectrum    1 weight  0.10000E+01 volume  0.26363E-02 ppm1      1.569 ppm2      7.471 CV     1
 ASSI {   71}
   (  segid "    " and resid 2    and name HB% )
   (  segid "    " and resid 54   and name HE% )
      3.000     1.200     1.200 peak    71 spectrum    1 weight  0.10000E+01 volume  0.15018E-02 ppm1      1.568 ppm2      7.127 CV     1
 ASSI {   72}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 2    and name HA  ))
      2.100     0.600     0.600 peak    72 spectrum    1 weight  0.10000E+01 volume  0.10267E-01 ppm1      1.569 ppm2      4.829 CV     1
 ASSI {   73}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 3    and name HA  ))
      4.200     2.200     1.800 peak    73 spectrum    1 weight  0.10000E+01 volume  0.52612E-03 ppm1      1.571 ppm2      4.429 CV     1
 ASSI {   74}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 6    and name HA  ))
      5.900     4.400     0.100 peak    74 spectrum    1 weight  0.10000E+01 volume  0.28400E-03 ppm1      1.565 ppm2      4.141 CV     1
 ASSI {   75}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 1    and name HA  ))
      4.200     2.200     1.800 peak    75 spectrum    1 weight  0.10000E+01 volume  0.68133E-03 ppm1      1.571 ppm2      4.030 CV     1
 ASSI {   76}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 7    and name HA  ))
      3.600     1.700     1.700 peak    76 spectrum    1 weight  0.10000E+01 volume  0.12325E-02 ppm1      1.571 ppm2      3.886 CV     1
 ASSI {   77}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 6    and name HB2 ))
      3.700     1.700     1.700 peak    77 spectrum    1 weight  0.10000E+01 volume  0.27653E-02 ppm1      1.569 ppm2      2.107 CV     1
 ASSI {   79}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 80   and name HG2 ))
      4.100     2.100     1.900 peak    79 spectrum    1 weight  0.10000E+01 volume  0.49008E-03 ppm1      1.570 ppm2      2.615 CV     1
 ASSI {   80}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 6    and name HB1 ))
      2.400     2.400     3.600 peak    80 spectrum    1 weight  0.10000E+01 volume  0.37855E-02 ppm1      1.568 ppm2      2.492 CV     1
 ASSI {   81}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 6    and name HG2 ))
      3.600     1.600     1.600 peak    81 spectrum    1 weight  0.10000E+01 volume  0.12889E-02 ppm1      1.567 ppm2      2.388 CV     1
 OR {   81}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 6    and name HG1 ))
 ASSI {   82}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 80   and name HB1 ))
      5.000     3.100     1.000 peak    82 spectrum    1 weight  0.10000E+01 volume  0.31459E-03 ppm1      1.570 ppm2      2.323 CV     1
 ASSI {   84}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 7    and name HG12))
      2.600     0.900     0.900 peak    84 spectrum    1 weight  0.10000E+01 volume  0.30552E-02 ppm1      1.569 ppm2      0.232 CV     1
 ASSI {   88}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
      2.600     0.900     0.900 peak    88 spectrum    1 weight  0.10000E+01 volume  0.24524E-02 ppm1      3.704 ppm2      9.233 CV     1
 ASSI {   89}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      3.500     1.500     1.500 peak    89 spectrum    1 weight  0.10000E+01 volume  0.96024E-03 ppm1      3.704 ppm2      8.862 CV     1
 ASSI {   90}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
      3.000     1.100     1.100 peak    90 spectrum    1 weight  0.10000E+01 volume  0.19905E-02 ppm1      3.705 ppm2      8.396 CV     1
 ASSI {   91}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 6    and name HN  ))
      3.800     1.800     1.800 peak    91 spectrum    1 weight  0.10000E+01 volume  0.43328E-03 ppm1      3.706 ppm2      7.694 CV     1
 ASSI {   92}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 4    and name HN  ))
      2.700     0.900     0.900 peak    92 spectrum    1 weight  0.10000E+01 volume  0.19403E-02 ppm1      2.180 ppm2      9.235 CV     1
 ASSI {   93}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 4    and name HA  ))
      3.000     1.100     1.100 peak    93 spectrum    1 weight  0.10000E+01 volume  0.29000E-02 ppm1      2.182 ppm2      3.703 CV     1
 ASSI {   95}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HG2 ))
      2.200     0.600     0.600 peak    95 spectrum    1 weight  0.10000E+01 volume  0.88670E-02 ppm1      3.706 ppm2      2.176 CV     1
 OR {   95}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HB1 ))
 ASSI {   96}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HB2 ))
      2.400     0.700     0.700 peak    96 spectrum    1 weight  0.10000E+01 volume  0.35938E-02 ppm1      3.705 ppm2      2.040 CV     1
 ASSI {   99}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 73   and name HG2%)
      2.300     0.700     0.700 peak    99 spectrum    1 weight  0.10000E+01 volume  0.34173E-02 ppm1      3.705 ppm2      1.104 CV     1
 ASSI {  100}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 77   and name HD2%)
      2.600     0.900     0.900 peak   100 spectrum    1 weight  0.10000E+01 volume  0.45517E-02 ppm1      3.705 ppm2      0.820 CV     1
 OR {  100}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI {  101}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 7    and name HD1%)
      3.100     1.200     1.200 peak   101 spectrum    1 weight  0.10000E+01 volume  0.49268E-02 ppm1      3.705 ppm2      0.532 CV     1
 OR {  101}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 7    and name HG2%)
 ASSI {  102}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 7    and name HG12))
      5.100     3.300     0.900 peak   102 spectrum    1 weight  0.10000E+01 volume  0.53603E-03 ppm1      3.703 ppm2      0.232 CV     1
 ASSI {  103}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 3    and name HA  ))
      4.200     2.200     1.800 peak   103 spectrum    1 weight  0.10000E+01 volume  0.46495E-03 ppm1      3.708 ppm2      4.444 CV     1
 ASSI {  104}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 73   and name HB  ))
      5.200     3.400     0.800 peak   104 spectrum    1 weight  0.10000E+01 volume  0.27348E-03 ppm1      3.703 ppm2      4.209 CV     1
 ASSI {  108}
   (( segid "    " and resid 4    and name HB1 ))
   (  segid "    " and resid 73   and name HG2%)
      4.800     2.800     1.200 peak   108 spectrum    1 weight  0.10000E+01 volume  0.73920E-03 ppm1      2.183 ppm2      1.102 CV     1
 ASSI {  109}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 5    and name HN  ))
      2.900     1.000     1.000 peak   109 spectrum    1 weight  0.10000E+01 volume  0.10804E-02 ppm1      2.179 ppm2      8.862 CV     1
 ASSI {  110}
   (( segid "    " and resid 4    and name HG1 ))
   (( segid "    " and resid 4    and name HN  ))
      4.700     2.700     1.300 peak   110 spectrum    1 weight  0.10000E+01 volume  0.86404E-03 ppm1      2.232 ppm2      9.232 CV     1
 ASSI {  111}
   (( segid "    " and resid 4    and name HG2 ))
   (( segid "    " and resid 4    and name HN  ))
      4.400     2.400     1.600 peak   111 spectrum    1 weight  0.10000E+01 volume  0.79393E-03 ppm1      2.162 ppm2      9.233 CV     1
 ASSI {  112}
   (( segid "    " and resid 4    and name HG1 ))
   (( segid "    " and resid 4    and name HE22))
      5.000     3.100     1.000 peak   112 spectrum    1 weight  0.10000E+01 volume  0.42063E-03 ppm1      2.242 ppm2      7.512 CV     1
 ASSI {  113}
   (( segid "    " and resid 4    and name HG2 ))
   (( segid "    " and resid 4    and name HE22))
      4.300     2.400     1.700 peak   113 spectrum    1 weight  0.10000E+01 volume  0.57275E-03 ppm1      2.161 ppm2      7.507 CV     1
 ASSI {  114}
   (( segid "    " and resid 4    and name HG1 ))
   (( segid "    " and resid 4    and name HA  ))
      3.700     1.700     1.700 peak   114 spectrum    1 weight  0.10000E+01 volume  0.25110E-02 ppm1      2.234 ppm2      3.702 CV     1
 ASSI {  115}
   (( segid "    " and resid 4    and name HG2 ))
   (( segid "    " and resid 4    and name HA  ))
      2.600     0.800     0.800 peak   115 spectrum    1 weight  0.10000E+01 volume  0.22923E-02 ppm1      2.158 ppm2      3.702 CV     1
 ASSI {  116}
   (( segid "    " and resid 4    and name HG1 ))
   (( segid "    " and resid 4    and name HB2 ))
      2.100     0.600     0.600 peak   116 spectrum    1 weight  0.10000E+01 volume  0.75209E-02 ppm1      2.228 ppm2      2.043 CV     1
 ASSI {  117}
   (( segid "    " and resid 4    and name HG2 ))
   (( segid "    " and resid 4    and name HB2 ))
      2.300     0.700     0.700 peak   117 spectrum    1 weight  0.10000E+01 volume  0.79895E-02 ppm1      2.156 ppm2      2.044 CV     1
 ASSI {  120}
   (( segid "    " and resid 4    and name HG1 ))
   (  segid "    " and resid 73   and name HG2%)
      3.900     1.900     1.900 peak   120 spectrum    1 weight  0.10000E+01 volume  0.24152E-02 ppm1      2.235 ppm2      1.102 CV     1
 ASSI {  122}
   (( segid "    " and resid 4    and name HG1 ))
   (( segid "    " and resid 5    and name HN  ))
      5.100     3.200     0.900 peak   122 spectrum    1 weight  0.10000E+01 volume  0.54393E-03 ppm1      2.230 ppm2      8.867 CV     1
 ASSI {  123}
   (( segid "    " and resid 4    and name HG2 ))
   (( segid "    " and resid 5    and name HN  ))
      4.600     2.600     1.400 peak   123 spectrum    1 weight  0.10000E+01 volume  0.56586E-03 ppm1      2.167 ppm2      8.860 CV     1
 ASSI {  124}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      2.600     0.800     0.800 peak   124 spectrum    1 weight  0.10000E+01 volume  0.37915E-02 ppm1      3.936 ppm2      8.863 CV     1
 ASSI {  126}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 6    and name HN  ))
      3.100     1.200     1.200 peak   126 spectrum    1 weight  0.10000E+01 volume  0.16345E-02 ppm1      3.936 ppm2      7.707 CV     1
 ASSI {  127}
   (( segid "    " and resid 5    and name HA  ))
   (  segid "    " and resid 8    and name HG2%)
      3.500     1.500     1.500 peak   127 spectrum    1 weight  0.10000E+01 volume  0.21316E-02 ppm1      3.937 ppm2      1.045 CV     1
 ASSI {  128}
   (( segid "    " and resid 5    and name HA  ))
   (  segid "    " and resid 8    and name HG1%)
      3.600     1.600     1.600 peak   128 spectrum    1 weight  0.10000E+01 volume  0.19518E-02 ppm1      3.937 ppm2      0.905 CV     1
 ASSI {  129}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HG1 ))
      3.300     1.400     1.400 peak   129 spectrum    1 weight  0.10000E+01 volume  0.19821E-02 ppm1      3.937 ppm2      2.490 CV     1
 ASSI {  130}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HG2 ))
      2.500     0.800     0.800 peak   130 spectrum    1 weight  0.10000E+01 volume  0.51790E-02 ppm1      3.934 ppm2      2.320 CV     1
 ASSI {  134}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 5    and name HA  ))
      2.600     0.800     0.800 peak   134 spectrum    1 weight  0.10000E+01 volume  0.34208E-02 ppm1      2.092 ppm2      3.935 CV     1
 ASSI {  137}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 6    and name HN  ))
      3.200     1.300     1.300 peak   137 spectrum    1 weight  0.10000E+01 volume  0.13225E-02 ppm1      1.981 ppm2      7.697 CV     1
 ASSI {  140}
   (( segid "    " and resid 5    and name HG1 ))
   (( segid "    " and resid 5    and name HN  ))
      3.100     1.200     1.200 peak   140 spectrum    1 weight  0.10000E+01 volume  0.10315E-02 ppm1      2.491 ppm2      8.862 CV     1
 ASSI {  142}
   (( segid "    " and resid 5    and name HG1 ))
   (( segid "    " and resid 5    and name HB1 ))
      2.800     1.000     1.000 peak   142 spectrum    1 weight  0.10000E+01 volume  0.54000E-02 ppm1      2.491 ppm2      2.090 CV     1
 ASSI {  143}
   (( segid "    " and resid 5    and name HG1 ))
   (( segid "    " and resid 5    and name HB2 ))
      2.500     0.800     0.800 peak   143 spectrum    1 weight  0.10000E+01 volume  0.44278E-02 ppm1      2.492 ppm2      1.981 CV     1
 ASSI {  144}
   (( segid "    " and resid 5    and name HG2 ))
   (( segid "    " and resid 5    and name HB2 ))
      2.900     1.100     1.100 peak   144 spectrum    1 weight  0.10000E+01 volume  0.43921E-02 ppm1      2.323 ppm2      1.983 CV     1
 ASSI {  150}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HG1 ))
      2.400     0.700     0.700 peak   150 spectrum    1 weight  0.10000E+01 volume  0.31578E-02 ppm1      2.113 ppm2      2.824 CV     1
 ASSI {  154}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 3    and name HN  ))
      2.600     2.600     3.400 peak   154 spectrum    1 weight  0.10000E+01 volume  0.14212E-02 ppm1      2.117 ppm2      8.549 CV     1
 ASSI {  165}
   (( segid "    " and resid 6    and name HG2 ))
   (( segid "    " and resid 6    and name HN  ))
      3.900     1.900     1.900 peak   165 spectrum    1 weight  0.10000E+01 volume  0.19796E-02 ppm1      2.378 ppm2      7.694 CV     1
 ASSI {  166}
   (( segid "    " and resid 6    and name HG1 ))
   (( segid "    " and resid 6    and name HA  ))
      2.900     1.100     1.100 peak   166 spectrum    1 weight  0.10000E+01 volume  0.28655E-02 ppm1      2.427 ppm2      4.137 CV     1
 OR {  166}
   (( segid "    " and resid 6    and name HG2 ))
   (( segid "    " and resid 6    and name HA  ))
 ASSI {  173}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HN  ))
      2.400     0.700     0.700 peak   173 spectrum    1 weight  0.10000E+01 volume  0.73436E-02 ppm1      4.129 ppm2      7.713 CV     1
 ASSI {  174}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      4.700     2.800     1.300 peak   174 spectrum    1 weight  0.10000E+01 volume  0.52648E-03 ppm1      4.128 ppm2      8.870 CV     1
 ASSI {  175}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
      3.200     1.200     1.200 peak   175 spectrum    1 weight  0.10000E+01 volume  0.18192E-02 ppm1      4.137 ppm2      8.395 CV     1
 ASSI {  179}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      4.000     2.000     2.000 peak   179 spectrum    1 weight  0.10000E+01 volume  0.62821E-03 ppm1      3.891 ppm2      9.235 CV     1
 ASSI {  180}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
      2.200     0.600     0.600 peak   180 spectrum    1 weight  0.10000E+01 volume  0.49487E-02 ppm1      3.887 ppm2      8.396 CV     1
 ASSI {  182}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 54   and name HZ  ))
      2.300     0.700     0.700 peak   182 spectrum    1 weight  0.10000E+01 volume  0.35945E-02 ppm1      3.887 ppm2      7.471 CV     1
 OR {  182}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 54   and name HD% )
 ASSI {  183}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 54   and name HE% )
      2.500     0.800     0.800 peak   183 spectrum    1 weight  0.10000E+01 volume  0.34292E-02 ppm1      3.890 ppm2      7.128 CV     1
 ASSI {  185}
   (( segid "    " and resid 76   and name HB  ))
   (( segid "    " and resid 78   and name HN  ))
      5.100     3.200     0.900 peak   185 spectrum    1 weight  0.10000E+01 volume  0.43698E-03 ppm1      1.790 ppm2      8.282 CV     1
 ASSI {  188}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 7    and name HN  ))
      3.400     1.500     1.500 peak   188 spectrum    1 weight  0.10000E+01 volume  0.24716E-02 ppm1      0.529 ppm2      8.395 CV     1
 ASSI {  191}
   (  segid "    " and resid 7    and name HD1%)
   (  segid "    " and resid 54   and name HD% )
      4.600     2.600     1.400 peak   191 spectrum    1 weight  0.10000E+01 volume  0.70504E-03 ppm1      0.529 ppm2      7.468 CV     1
 OR {  191}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 54   and name HZ  ))
 ASSI {  192}
   (  segid "    " and resid 7    and name HD1%)
   (  segid "    " and resid 54   and name HE% )
      4.900     3.000     1.100 peak   192 spectrum    1 weight  0.10000E+01 volume  0.43061E-03 ppm1      0.530 ppm2      7.132 CV     1
 ASSI {  194}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 7    and name HN  ))
      3.400     1.500     1.500 peak   194 spectrum    1 weight  0.10000E+01 volume  0.29113E-02 ppm1      0.565 ppm2      8.393 CV     1
 ASSI {  195}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 54   and name HZ  ))
      3.200     1.300     1.300 peak   195 spectrum    1 weight  0.10000E+01 volume  0.12143E-02 ppm1      0.565 ppm2      7.473 CV     1
 OR {  195}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 54   and name HD% )
 ASSI {  196}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 54   and name HE% )
      3.300     1.400     1.400 peak   196 spectrum    1 weight  0.10000E+01 volume  0.10373E-02 ppm1      0.567 ppm2      7.126 CV     1
 ASSI {  198}
   (( segid "    " and resid 7    and name HG11))
   (( segid "    " and resid 7    and name HN  ))
      1.900     0.500     0.500 peak   198 spectrum    1 weight  0.10000E+01 volume  0.34371E-02 ppm1      1.544 ppm2      8.396 CV     1
 ASSI {  199}
   (( segid "    " and resid 7    and name HG12))
   (( segid "    " and resid 7    and name HN  ))
      3.400     1.500     1.500 peak   199 spectrum    1 weight  0.10000E+01 volume  0.20025E-02 ppm1      0.235 ppm2      8.395 CV     1
 ASSI {  200}
   (( segid "    " and resid 7    and name HG12))
   (  segid "    " and resid 54   and name HD% )
      3.700     1.800     1.800 peak   200 spectrum    1 weight  0.10000E+01 volume  0.59048E-03 ppm1      0.242 ppm2      7.468 CV     1
 OR {  200}
   (( segid "    " and resid 7    and name HG12))
   (( segid "    " and resid 54   and name HZ  ))
 ASSI {  206}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 73   and name HG2%)
      5.000     3.200     1.000 peak   206 spectrum    1 weight  0.10000E+01 volume  0.48757E-03 ppm1      3.888 ppm2      1.093 CV     1
 ASSI {  207}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 53   and name HG1 ))
      4.100     2.100     1.900 peak   207 spectrum    1 weight  0.10000E+01 volume  0.78831E-03 ppm1      3.888 ppm2      0.855 CV     1
 ASSI {  209}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HG12))
      2.300     0.600     0.600 peak   209 spectrum    1 weight  0.10000E+01 volume  0.38004E-02 ppm1      3.888 ppm2      0.229 CV     1
 ASSI {  210}
   (( segid "    " and resid 76   and name HB  ))
   (  segid "    " and resid 77   and name HD2%)
      5.100     3.200     0.900 peak   210 spectrum    1 weight  0.10000E+01 volume  0.97847E-03 ppm1      1.783 ppm2      0.817 CV     1
 OR {  210}
   (( segid "    " and resid 76   and name HB  ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI {  213}
   (( segid "    " and resid 7    and name HB  ))
   (  segid "    " and resid 73   and name HG2%)
      2.100     0.500     0.500 peak   213 spectrum    1 weight  0.10000E+01 volume  0.38257E-02 ppm1      1.787 ppm2      1.106 CV     1
 ASSI {  214}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 7    and name HA  ))
      2.600     0.900     0.900 peak   214 spectrum    1 weight  0.10000E+01 volume  0.20224E-02 ppm1      1.786 ppm2      3.888 CV     1
 ASSI {  217}
   (( segid "    " and resid 76   and name HB  ))
   (( segid "    " and resid 76   and name HA  ))
      2.800     1.000     1.000 peak   217 spectrum    1 weight  0.10000E+01 volume  0.19300E-02 ppm1      1.783 ppm2      3.500 CV     1
 ASSI {  218}
   (( segid "    " and resid 76   and name HB  ))
   (( segid "    " and resid 75   and name HB1 ))
      4.300     2.400     1.700 peak   218 spectrum    1 weight  0.10000E+01 volume  0.69366E-03 ppm1      1.770 ppm2      3.110 CV     1
 OR {  218}
   (( segid "    " and resid 76   and name HB  ))
   (( segid "    " and resid 75   and name HB2 ))
 ASSI {  226}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 73   and name HB  ))
      4.600     2.700     1.400 peak   226 spectrum    1 weight  0.10000E+01 volume  0.71454E-03 ppm1      0.564 ppm2      4.186 CV     1
 ASSI {  227}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 7    and name HA  ))
      2.300     0.600     0.600 peak   227 spectrum    1 weight  0.10000E+01 volume  0.49140E-02 ppm1      0.565 ppm2      3.886 CV     1
 ASSI {  229}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 73   and name HA  ))
      2.100     0.500     0.500 peak   229 spectrum    1 weight  0.10000E+01 volume  0.79863E-02 ppm1      0.565 ppm2      3.678 CV     1
 ASSI {  230}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 8    and name HA  ))
      3.300     1.300     1.300 peak   230 spectrum    1 weight  0.10000E+01 volume  0.10218E-02 ppm1      0.565 ppm2      3.387 CV     1
 ASSI {  234}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 7    and name HA  ))
      3.100     1.200     1.200 peak   234 spectrum    1 weight  0.10000E+01 volume  0.48789E-02 ppm1      0.529 ppm2      3.894 CV     1
 ASSI {  235}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 4    and name HA  ))
      2.900     1.000     1.000 peak   235 spectrum    1 weight  0.10000E+01 volume  0.43756E-02 ppm1      0.529 ppm2      3.699 CV     1
 ASSI {  237}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 8    and name HA  ))
      6.000     4.900     0.000 peak   237 spectrum    1 weight  0.10000E+01 volume  0.91223E-04 ppm1      0.519 ppm2      3.402 CV     1
 ASSI {  238}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 80   and name HG1 ))
      5.100     3.200     0.900 peak   238 spectrum    1 weight  0.10000E+01 volume  0.39552E-03 ppm1      0.528 ppm2      2.711 CV     1
 ASSI {  241}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 80   and name HB1 ))
      6.000     4.900     0.000 peak   241 spectrum    1 weight  0.10000E+01 volume  0.23388E-03 ppm1      0.530 ppm2      2.347 CV     1
 ASSI {  246}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 7    and name HB  ))
      2.000     0.500     0.500 peak   246 spectrum    1 weight  0.10000E+01 volume  0.90269E-02 ppm1      0.529 ppm2      1.779 CV     1
 ASSI {  247}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 7    and name HG11))
      1.800     0.400     0.400 peak   247 spectrum    1 weight  0.10000E+01 volume  0.11072E-01 ppm1      0.529 ppm2      1.554 CV     1
 ASSI {  248}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 11   and name HB2 ))
      4.300     2.300     1.700 peak   248 spectrum    1 weight  0.10000E+01 volume  0.41558E-03 ppm1      0.562 ppm2      1.293 CV     1
 ASSI {  250}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 73   and name HG2%)
      3.000     1.100     1.100 peak   250 spectrum    1 weight  0.10000E+01 volume  0.57641E-02 ppm1      0.564 ppm2      1.096 CV     1
 ASSI {  251}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 6    and name HB2 ))
      2.800     2.800     3.200 peak   251 spectrum    1 weight  0.10000E+01 volume  0.84696E-03 ppm1      0.565 ppm2      2.128 CV     1
 ASSI {  252}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 11   and name HG  ))
      2.400     0.700     0.700 peak   252 spectrum    1 weight  0.10000E+01 volume  0.29304E-02 ppm1      0.566 ppm2      1.988 CV     1
 ASSI {  254}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 7    and name HG11))
      3.200     1.300     1.300 peak   254 spectrum    1 weight  0.10000E+01 volume  0.25992E-02 ppm1      0.563 ppm2      1.563 CV     1
 ASSI {  255}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 7    and name HG12))
      1.900     0.500     0.500 peak   255 spectrum    1 weight  0.10000E+01 volume  0.82787E-02 ppm1      0.529 ppm2      0.243 CV     1
 ASSI {  257}
   (  segid "    " and resid 7    and name HD1%)
   (  segid "    " and resid 77   and name HD2%)
      2.500     0.800     0.800 peak   257 spectrum    1 weight  0.10000E+01 volume  0.72454E-02 ppm1      0.530 ppm2      0.819 CV     1
 OR {  257}
   (  segid "    " and resid 7    and name HD1%)
   (  segid "    " and resid 77   and name HD1%)
 ASSI {  258}
   (  segid "    " and resid 7    and name HD1%)
   (  segid "    " and resid 73   and name HG2%)
      2.600     0.800     0.800 peak   258 spectrum    1 weight  0.10000E+01 volume  0.27444E-02 ppm1      0.531 ppm2      1.106 CV     1
 ASSI {  260}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 7    and name HG12))
      2.300     0.700     0.700 peak   260 spectrum    1 weight  0.10000E+01 volume  0.35373E-02 ppm1      0.565 ppm2      0.230 CV     1
 ASSI {  261}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      3.100     1.200     1.200 peak   261 spectrum    1 weight  0.10000E+01 volume  0.15234E-02 ppm1      3.384 ppm2      9.236 CV     1
 ASSI {  262}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      3.600     1.600     1.600 peak   262 spectrum    1 weight  0.10000E+01 volume  0.70513E-03 ppm1      3.386 ppm2      8.921 CV     1
 ASSI {  265}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      3.300     1.400     1.400 peak   265 spectrum    1 weight  0.10000E+01 volume  0.12569E-02 ppm1      3.385 ppm2      7.727 CV     1
 ASSI {  266}
   (( segid "    " and resid 8    and name HB  ))
   (( segid "    " and resid 8    and name HN  ))
      2.200     0.600     0.600 peak   266 spectrum    1 weight  0.10000E+01 volume  0.61533E-02 ppm1      2.020 ppm2      8.393 CV     1
 ASSI {  267}
   (( segid "    " and resid 8    and name HB  ))
   (( segid "    " and resid 9    and name HN  ))
      2.500     0.800     0.800 peak   267 spectrum    1 weight  0.10000E+01 volume  0.40596E-02 ppm1      2.021 ppm2      7.727 CV     1
 ASSI {  270}
   (( segid "    " and resid 63   and name HB  ))
   (( segid "    " and resid 63   and name HA  ))
      2.500     0.800     0.800 peak   270 spectrum    1 weight  0.10000E+01 volume  0.29371E-02 ppm1      2.023 ppm2      3.205 CV     1
 ASSI {  271}
   (( segid "    " and resid 8    and name HB  ))
   (( segid "    " and resid 8    and name HA  ))
      2.900     1.000     1.000 peak   271 spectrum    1 weight  0.10000E+01 volume  0.26246E-02 ppm1      2.020 ppm2      3.386 CV     1
 ASSI {  272}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 9    and name HA  ))
      4.000     2.000     2.000 peak   272 spectrum    1 weight  0.10000E+01 volume  0.60368E-03 ppm1      3.385 ppm2      4.229 CV     1
 ASSI {  283}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
      2.800     1.000     1.000 peak   283 spectrum    1 weight  0.10000E+01 volume  0.14873E-02 ppm1      3.385 ppm2      1.270 CV     1
 ASSI {  285}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 8    and name HG2%)
      2.300     0.600     0.600 peak   285 spectrum    1 weight  0.10000E+01 volume  0.69910E-02 ppm1      3.386 ppm2      1.044 CV     1
 ASSI {  288}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 69   and name HG2%)
      3.900     1.900     1.900 peak   288 spectrum    1 weight  0.10000E+01 volume  0.15250E-02 ppm1      3.386 ppm2      0.644 CV     1
 ASSI {  291}
   (  segid "    " and resid 8    and name HG1%)
   (( segid "    " and resid 8    and name HA  ))
      2.400     0.700     0.700 peak   291 spectrum    1 weight  0.10000E+01 volume  0.63903E-02 ppm1      0.901 ppm2      3.389 CV     1
 ASSI {  292}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 27   and name HA  ))
      4.200     2.200     1.800 peak   292 spectrum    1 weight  0.10000E+01 volume  0.27893E-03 ppm1      1.050 ppm2      4.644 CV     1
 ASSI {  293}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 73   and name HB  ))
      3.700     1.700     1.700 peak   293 spectrum    1 weight  0.10000E+01 volume  0.10492E-02 ppm1      1.045 ppm2      4.193 CV     1
 ASSI {  296}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 70   and name HA2 ))
      4.100     2.100     1.900 peak   296 spectrum    1 weight  0.10000E+01 volume  0.41211E-03 ppm1      1.042 ppm2      3.790 CV     1
 ASSI {  301}
   (  segid "    " and resid 8    and name HG1%)
   (( segid "    " and resid 9    and name HA  ))
      3.100     1.200     1.200 peak   301 spectrum    1 weight  0.10000E+01 volume  0.15452E-02 ppm1      0.898 ppm2      4.216 CV     1
 ASSI {  303}
   (( segid "    " and resid 8    and name HB  ))
   (( segid "    " and resid 5    and name HA  ))
      2.500     0.800     0.800 peak   303 spectrum    1 weight  0.10000E+01 volume  0.32554E-02 ppm1      2.021 ppm2      3.935 CV     1
 ASSI {  311}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 4    and name HG1 ))
      3.900     1.900     1.900 peak   311 spectrum    1 weight  0.10000E+01 volume  0.25179E-02 ppm1      1.044 ppm2      2.219 CV     1
 ASSI {  312}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 4    and name HG2 ))
      3.300     1.400     1.400 peak   312 spectrum    1 weight  0.10000E+01 volume  0.23811E-02 ppm1      1.044 ppm2      2.166 CV     1
 ASSI {  315}
   (  segid "    " and resid 8    and name HG2%)
   (  segid "    " and resid 7    and name HG2%)
      3.800     1.800     1.800 peak   315 spectrum    1 weight  0.10000E+01 volume  0.14575E-02 ppm1      1.045 ppm2      0.548 CV     1
 OR {  315}
   (  segid "    " and resid 8    and name HG2%)
   (  segid "    " and resid 7    and name HD1%)
 ASSI {  316}
   (  segid "    " and resid 8    and name HG2%)
   (  segid "    " and resid 69   and name HG1%)
      3.900     1.900     1.900 peak   316 spectrum    1 weight  0.10000E+01 volume  0.22498E-03 ppm1      1.041 ppm2      0.464 CV     1
 ASSI {  318}
   (( segid "    " and resid 63   and name HB  ))
   (  segid "    " and resid 58   and name HG2%)
      3.000     1.100     1.100 peak   318 spectrum    1 weight  0.10000E+01 volume  0.13980E-02 ppm1      2.023 ppm2      0.341 CV     1
 ASSI {  322}
   (  segid "    " and resid 8    and name HG1%)
   (( segid "    " and resid 9    and name HN  ))
      3.200     1.300     1.300 peak   322 spectrum    1 weight  0.10000E+01 volume  0.19335E-02 ppm1      0.898 ppm2      7.726 CV     1
 ASSI {  323}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 4    and name HE22))
      4.100     2.100     1.900 peak   323 spectrum    1 weight  0.10000E+01 volume  0.33813E-03 ppm1      1.046 ppm2      7.496 CV     1
 ASSI {  332}
   (  segid "    " and resid 8    and name HG1%)
   (( segid "    " and resid 8    and name HN  ))
      3.800     1.800     1.800 peak   332 spectrum    1 weight  0.10000E+01 volume  0.22035E-02 ppm1      0.900 ppm2      8.389 CV     1
 ASSI {  335}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 70   and name HN  ))
      5.800     4.200     0.200 peak   335 spectrum    1 weight  0.10000E+01 volume  0.13992E-03 ppm1      1.042 ppm2      9.400 CV     1
 ASSI {  336}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 11   and name HN  ))
      5.200     3.400     0.800 peak   336 spectrum    1 weight  0.10000E+01 volume  0.24646E-03 ppm1      1.042 ppm2      9.236 CV     1
 ASSI {  337}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      4.200     2.200     1.800 peak   337 spectrum    1 weight  0.10000E+01 volume  0.50342E-03 ppm1      4.231 ppm2      9.241 CV     1
 ASSI {  340}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      3.200     1.300     1.300 peak   340 spectrum    1 weight  0.10000E+01 volume  0.15535E-02 ppm1      4.227 ppm2      8.919 CV     1
 ASSI {  341}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      3.400     1.400     1.400 peak   341 spectrum    1 weight  0.10000E+01 volume  0.13612E-02 ppm1      4.244 ppm2      8.810 CV     1
 ASSI {  344}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      2.600     0.900     0.900 peak   344 spectrum    1 weight  0.10000E+01 volume  0.45783E-02 ppm1      4.242 ppm2      7.904 CV     1
 ASSI {  345}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      2.600     0.800     0.800 peak   345 spectrum    1 weight  0.10000E+01 volume  0.49647E-02 ppm1      4.230 ppm2      7.729 CV     1
 ASSI {  346}
   (  segid "    " and resid 9    and name HB% )
   (( segid "    " and resid 9    and name HN  ))
      2.200     0.600     0.600 peak   346 spectrum    1 weight  0.10000E+01 volume  0.11552E-01 ppm1      1.521 ppm2      7.728 CV     1
 ASSI {  349}
   (  segid "    " and resid 9    and name HB% )
   (( segid "    " and resid 10   and name HN  ))
      2.700     0.900     0.900 peak   349 spectrum    1 weight  0.10000E+01 volume  0.55110E-02 ppm1      1.521 ppm2      8.391 CV     1
 ASSI {  350}
   (  segid "    " and resid 9    and name HB% )
   (( segid "    " and resid 12   and name HN  ))
      4.800     2.900     1.200 peak   350 spectrum    1 weight  0.10000E+01 volume  0.43616E-03 ppm1      1.527 ppm2      8.920 CV     1
 ASSI {  351}
   (  segid "    " and resid 9    and name HB% )
   (( segid "    " and resid 11   and name HN  ))
      5.100     3.200     0.900 peak   351 spectrum    1 weight  0.10000E+01 volume  0.45107E-03 ppm1      1.520 ppm2      9.232 CV     1
 ASSI {  354}
   (( segid "    " and resid 9    and name HA  ))
   (  segid "    " and resid 12   and name HB% )
      2.400     0.700     0.700 peak   354 spectrum    1 weight  0.10000E+01 volume  0.55946E-02 ppm1      4.225 ppm2      1.686 CV     1
 ASSI {  362}
   (( segid "    " and resid 7    and name HB  ))
   (  segid "    " and resid 8    and name HG1%)
      3.600     3.600     2.400 peak   362 spectrum    1 weight  0.10000E+01 volume  0.31076E-02 ppm1      1.785 ppm2      0.903 CV     1
 ASSI {  363}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 6    and name HN  ))
      4.100     2.100     1.900 peak   363 spectrum    1 weight  0.10000E+01 volume  0.52936E-03 ppm1      1.786 ppm2      7.705 CV     1
 ASSI {  364}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 11   and name HN  ))
      3.000     1.100     1.100 peak   364 spectrum    1 weight  0.10000E+01 volume  0.12862E-02 ppm1      4.067 ppm2      9.237 CV     1
 ASSI {  365}
   (( segid "    " and resid 10   and name HA2 ))
   (( segid "    " and resid 11   and name HN  ))
      3.400     1.500     1.500 peak   365 spectrum    1 weight  0.10000E+01 volume  0.16566E-02 ppm1      3.872 ppm2      9.234 CV     1
 ASSI {  366}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 12   and name HN  ))
      5.100     3.300     0.900 peak   366 spectrum    1 weight  0.10000E+01 volume  0.27472E-03 ppm1      4.071 ppm2      8.924 CV     1
 ASSI {  367}
   (( segid "    " and resid 10   and name HA2 ))
   (( segid "    " and resid 12   and name HN  ))
      4.800     2.900     1.200 peak   367 spectrum    1 weight  0.10000E+01 volume  0.28123E-03 ppm1      3.871 ppm2      8.922 CV     1
 ASSI {  369}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 10   and name HN  ))
      2.300     0.700     0.700 peak   369 spectrum    1 weight  0.10000E+01 volume  0.42955E-02 ppm1      4.067 ppm2      8.391 CV     1
 ASSI {  370}
   (( segid "    " and resid 10   and name HA2 ))
   (( segid "    " and resid 10   and name HN  ))
      2.700     0.900     0.900 peak   370 spectrum    1 weight  0.10000E+01 volume  0.49245E-02 ppm1      3.874 ppm2      8.390 CV     1
 ASSI {  373}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 13   and name HN  ))
      4.300     2.300     1.700 peak   373 spectrum    1 weight  0.10000E+01 volume  0.82686E-03 ppm1      4.066 ppm2      7.923 CV     1
 ASSI {  374}
   (( segid "    " and resid 10   and name HA2 ))
   (( segid "    " and resid 13   and name HN  ))
      3.900     1.900     1.900 peak   374 spectrum    1 weight  0.10000E+01 volume  0.60363E-03 ppm1      3.875 ppm2      7.926 CV     1
 ASSI {  377}
   (( segid "    " and resid 10   and name HA2 ))
   (( segid "    " and resid 9    and name HN  ))
      5.800     4.100     0.200 peak   377 spectrum    1 weight  0.10000E+01 volume  0.21467E-03 ppm1      3.871 ppm2      7.732 CV     1
 ASSI {  378}
   (( segid "    " and resid 10   and name HA2 ))
   (( segid "    " and resid 54   and name HZ  ))
      4.200     2.200     1.800 peak   378 spectrum    1 weight  0.10000E+01 volume  0.19875E-02 ppm1      3.874 ppm2      7.471 CV     1
 ASSI {  379}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 54   and name HZ  ))
      2.500     0.800     0.800 peak   379 spectrum    1 weight  0.10000E+01 volume  0.15164E-02 ppm1      4.066 ppm2      7.467 CV     1
 ASSI {  380}
   (( segid "    " and resid 10   and name HA1 ))
   (  segid "    " and resid 54   and name HE% )
      3.800     1.800     1.800 peak   380 spectrum    1 weight  0.10000E+01 volume  0.73692E-03 ppm1      4.065 ppm2      7.130 CV     1
 ASSI {  381}
   (( segid "    " and resid 10   and name HA2 ))
   (  segid "    " and resid 54   and name HE% )
      4.700     2.700     1.300 peak   381 spectrum    1 weight  0.10000E+01 volume  0.10086E-02 ppm1      3.873 ppm2      7.130 CV     1
 ASSI {  387}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 53   and name HD1 ))
      3.400     1.400     1.400 peak   387 spectrum    1 weight  0.10000E+01 volume  0.36977E-03 ppm1      4.071 ppm2      2.888 CV     1
 ASSI {  388}
   (( segid "    " and resid 10   and name HA2 ))
   (( segid "    " and resid 53   and name HD1 ))
      4.500     2.600     1.500 peak   388 spectrum    1 weight  0.10000E+01 volume  0.23997E-03 ppm1      3.871 ppm2      2.877 CV     1
 ASSI {  389}
   (( segid "    " and resid 10   and name HA2 ))
   (( segid "    " and resid 53   and name HD2 ))
      4.400     2.400     1.600 peak   389 spectrum    1 weight  0.10000E+01 volume  0.44038E-03 ppm1      3.870 ppm2      2.716 CV     1
 ASSI {  391}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 13   and name HG1 ))
      5.800     4.200     0.200 peak   391 spectrum    1 weight  0.10000E+01 volume  0.26127E-03 ppm1      4.071 ppm2      2.609 CV     1
 ASSI {  392}
   (( segid "    " and resid 10   and name HA2 ))
   (( segid "    " and resid 13   and name HG1 ))
      4.500     2.500     1.500 peak   392 spectrum    1 weight  0.10000E+01 volume  0.27516E-03 ppm1      3.874 ppm2      2.611 CV     1
 ASSI {  393}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 13   and name HG2 ))
      4.100     2.100     1.900 peak   393 spectrum    1 weight  0.10000E+01 volume  0.12874E-02 ppm1      4.069 ppm2      2.296 CV     1
 OR {  393}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 13   and name HB1 ))
 ASSI {  394}
   (( segid "    " and resid 10   and name HA2 ))
   (( segid "    " and resid 13   and name HG2 ))
      2.900     1.100     1.100 peak   394 spectrum    1 weight  0.10000E+01 volume  0.99619E-03 ppm1      3.871 ppm2      2.299 CV     1
 OR {  394}
   (( segid "    " and resid 10   and name HA2 ))
   (( segid "    " and resid 13   and name HB1 ))
 ASSI {  395}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 13   and name HB2 ))
      5.000     3.200     1.000 peak   395 spectrum    1 weight  0.10000E+01 volume  0.84399E-03 ppm1      4.067 ppm2      2.230 CV     1
 ASSI {  396}
   (( segid "    " and resid 10   and name HA2 ))
   (( segid "    " and resid 13   and name HB2 ))
      4.500     2.500     1.500 peak   396 spectrum    1 weight  0.10000E+01 volume  0.62446E-03 ppm1      3.869 ppm2      2.229 CV     1
 ASSI {  410}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      2.600     0.900     0.900 peak   410 spectrum    1 weight  0.10000E+01 volume  0.26023E-02 ppm1      4.253 ppm2      9.236 CV     1
 ASSI {  411}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      3.400     1.400     1.400 peak   411 spectrum    1 weight  0.10000E+01 volume  0.10688E-02 ppm1      4.253 ppm2      8.921 CV     1
 ASSI {  412}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      3.600     1.700     1.700 peak   412 spectrum    1 weight  0.10000E+01 volume  0.74514E-03 ppm1      4.252 ppm2      8.809 CV     1
 ASSI {  413}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      2.900     1.100     1.100 peak   413 spectrum    1 weight  0.10000E+01 volume  0.17520E-02 ppm1      4.255 ppm2      8.177 CV     1
 ASSI {  417}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 12   and name HN  ))
      2.700     0.900     0.900 peak   417 spectrum    1 weight  0.10000E+01 volume  0.12838E-02 ppm1      1.273 ppm2      8.921 CV     1
 ASSI {  419}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 11   and name HN  ))
      3.700     1.700     1.700 peak   419 spectrum    1 weight  0.10000E+01 volume  0.19625E-02 ppm1      0.853 ppm2      9.236 CV     1
 ASSI {  424}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 12   and name HN  ))
      5.100     3.200     0.900 peak   424 spectrum    1 weight  0.10000E+01 volume  0.46459E-03 ppm1      0.849 ppm2      8.922 CV     1
 ASSI {  425}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 73   and name HN  ))
      3.800     1.800     1.800 peak   425 spectrum    1 weight  0.10000E+01 volume  0.58920E-03 ppm1      0.849 ppm2      8.639 CV     1
 ASSI {  426}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 10   and name HN  ))
      5.200     3.300     0.800 peak   426 spectrum    1 weight  0.10000E+01 volume  0.45165E-03 ppm1      0.852 ppm2      8.389 CV     1
 ASSI {  431}
   (( segid "    " and resid 11   and name HG  ))
   (( segid "    " and resid 54   and name HZ  ))
      3.800     1.800     1.800 peak   431 spectrum    1 weight  0.10000E+01 volume  0.44112E-03 ppm1      1.983 ppm2      7.460 CV     1
 OR {  431}
   (( segid "    " and resid 11   and name HG  ))
   (  segid "    " and resid 54   and name HD% )
 ASSI {  433}
   (( segid "    " and resid 11   and name HG  ))
   (( segid "    " and resid 12   and name HN  ))
      5.100     3.200     0.900 peak   433 spectrum    1 weight  0.10000E+01 volume  0.30527E-03 ppm1      1.983 ppm2      8.919 CV     1
 ASSI {  434}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 11   and name HN  ))
      3.900     1.900     1.900 peak   434 spectrum    1 weight  0.10000E+01 volume  0.10942E-02 ppm1      0.875 ppm2      9.236 CV     1
 ASSI {  439}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 12   and name HN  ))
      5.400     3.700     0.600 peak   439 spectrum    1 weight  0.10000E+01 volume  0.32963E-03 ppm1      0.873 ppm2      8.925 CV     1
 ASSI {  445}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 53   and name HN  ))
      3.600     1.600     1.600 peak   445 spectrum    1 weight  0.10000E+01 volume  0.12222E-02 ppm1      0.862 ppm2      8.196 CV     1
 ASSI {  446}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 54   and name HE% )
      4.200     2.200     1.800 peak   446 spectrum    1 weight  0.10000E+01 volume  0.47162E-03 ppm1      4.262 ppm2      7.127 CV     1
 ASSI {  447}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 54   and name HZ  ))
      4.700     2.700     1.300 peak   447 spectrum    1 weight  0.10000E+01 volume  0.39133E-03 ppm1      4.256 ppm2      7.448 CV     1
 OR {  447}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 54   and name HD% )
 ASSI {  456}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 11   and name HA  ))
      4.100     2.100     1.900 peak   456 spectrum    1 weight  0.10000E+01 volume  0.15894E-02 ppm1      0.850 ppm2      4.244 CV     1
 ASSI {  465}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 11   and name HA  ))
      2.000     0.500     0.500 peak   465 spectrum    1 weight  0.10000E+01 volume  0.84235E-02 ppm1      0.876 ppm2      4.252 CV     1
 ASSI {  475}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
      2.100     0.500     0.500 peak   475 spectrum    1 weight  0.10000E+01 volume  0.76255E-02 ppm1      4.254 ppm2      2.107 CV     1
 ASSI {  476}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HG  ))
      2.700     0.900     0.900 peak   476 spectrum    1 weight  0.10000E+01 volume  0.28203E-02 ppm1      4.254 ppm2      1.985 CV     1
 ASSI {  478}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 11   and name HB1 ))
      2.400     0.700     0.700 peak   478 spectrum    1 weight  0.10000E+01 volume  0.50237E-02 ppm1      0.851 ppm2      2.115 CV     1
 ASSI {  479}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 11   and name HG  ))
      1.900     0.400     0.400 peak   479 spectrum    1 weight  0.10000E+01 volume  0.16163E-01 ppm1      0.851 ppm2      1.983 CV     1
 ASSI {  481}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 11   and name HG  ))
      2.100     0.600     0.600 peak   481 spectrum    1 weight  0.10000E+01 volume  0.62748E-02 ppm1      0.874 ppm2      1.986 CV     1
 ASSI {  482}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 11   and name HB2 ))
      3.100     1.200     1.200 peak   482 spectrum    1 weight  0.10000E+01 volume  0.43510E-02 ppm1      0.876 ppm2      1.277 CV     1
 ASSI {  483}
   (  segid "    " and resid 11   and name HD2%)
   (  segid "    " and resid 72   and name HB% )
      3.600     1.600     1.600 peak   483 spectrum    1 weight  0.10000E+01 volume  0.18078E-02 ppm1      0.875 ppm2      1.590 CV     1
 ASSI {  486}
   (( segid "    " and resid 11   and name HG  ))
   (( segid "    " and resid 11   and name HB2 ))
      2.600     0.800     0.800 peak   486 spectrum    1 weight  0.10000E+01 volume  0.17161E-02 ppm1      1.986 ppm2      1.272 CV     1
 ASSI {  490}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
      2.700     0.900     0.900 peak   490 spectrum    1 weight  0.10000E+01 volume  0.41811E-02 ppm1      4.254 ppm2      1.270 CV     1
 ASSI {  493}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 11   and name HB2 ))
      2.400     0.700     0.700 peak   493 spectrum    1 weight  0.10000E+01 volume  0.48085E-02 ppm1      0.850 ppm2      1.272 CV     1
 ASSI {  498}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 14   and name HD1%)
      2.300     0.700     0.700 peak   498 spectrum    1 weight  0.10000E+01 volume  0.46126E-02 ppm1      4.254 ppm2      0.744 CV     1
 ASSI {  502}
   (( segid "    " and resid 58   and name HG12))
   (  segid "    " and resid 58   and name HG2%)
      2.300     0.700     0.700 peak   502 spectrum    1 weight  0.10000E+01 volume  0.32616E-02 ppm1      0.857 ppm2      0.339 CV     1
 ASSI {  503}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      2.500     0.800     0.800 peak   503 spectrum    1 weight  0.10000E+01 volume  0.33713E-02 ppm1      4.056 ppm2      8.923 CV     1
 ASSI {  504}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      3.000     1.100     1.100 peak   504 spectrum    1 weight  0.10000E+01 volume  0.13303E-02 ppm1      4.056 ppm2      8.809 CV     1
 ASSI {  505}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      4.100     2.100     1.900 peak   505 spectrum    1 weight  0.10000E+01 volume  0.38532E-03 ppm1      4.056 ppm2      8.696 CV     1
 ASSI {  506}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      3.900     1.900     1.900 peak   506 spectrum    1 weight  0.10000E+01 volume  0.49551E-03 ppm1      4.055 ppm2      8.194 CV     1
 ASSI {  507}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      3.400     1.400     1.400 peak   507 spectrum    1 weight  0.10000E+01 volume  0.95727E-03 ppm1      4.059 ppm2      7.928 CV     1
 ASSI {  508}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      5.900     4.400     0.100 peak   508 spectrum    1 weight  0.10000E+01 volume  0.37581E-03 ppm1      4.060 ppm2      7.495 CV     1
 ASSI {  509}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      5.400     3.700     0.600 peak   509 spectrum    1 weight  0.10000E+01 volume  0.18159E-03 ppm1      4.054 ppm2      9.234 CV     1
 ASSI {  510}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 11   and name HN  ))
      4.300     2.300     1.700 peak   510 spectrum    1 weight  0.10000E+01 volume  0.70627E-03 ppm1      1.687 ppm2      9.238 CV     1
 ASSI {  511}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 23   and name HN  ))
      4.900     3.000     1.100 peak   511 spectrum    1 weight  0.10000E+01 volume  0.35408E-03 ppm1      1.687 ppm2      8.524 CV     1
 ASSI {  512}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 14   and name HN  ))
      4.300     2.300     1.700 peak   512 spectrum    1 weight  0.10000E+01 volume  0.55430E-03 ppm1      1.685 ppm2      8.185 CV     1
 ASSI {  514}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 12   and name HN  ))
      2.100     0.600     0.600 peak   514 spectrum    1 weight  0.10000E+01 volume  0.86811E-02 ppm1      1.688 ppm2      8.922 CV     1
 ASSI {  515}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 15   and name HN  ))
      4.400     2.400     1.600 peak   515 spectrum    1 weight  0.10000E+01 volume  0.66388E-03 ppm1      1.685 ppm2      8.804 CV     1
 ASSI {  516}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 13   and name HN  ))
      2.400     0.700     0.700 peak   516 spectrum    1 weight  0.10000E+01 volume  0.40169E-02 ppm1      1.688 ppm2      7.928 CV     1
 ASSI {  519}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 15   and name HA  ))
      3.700     3.700     2.300 peak   519 spectrum    1 weight  0.10000E+01 volume  0.39933E-02 ppm1      1.688 ppm2      3.612 CV     1
 ASSI {  521}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 12   and name HA  ))
      2.000     0.500     0.500 peak   521 spectrum    1 weight  0.10000E+01 volume  0.92351E-02 ppm1      1.688 ppm2      4.055 CV     1
 ASSI {  524}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 26   and name HB  ))
      3.300     1.400     1.400 peak   524 spectrum    1 weight  0.10000E+01 volume  0.28412E-02 ppm1      4.056 ppm2      2.330 CV     1
 ASSI {  533}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 15   and name HG2%)
      2.600     0.800     0.800 peak   533 spectrum    1 weight  0.10000E+01 volume  0.24922E-02 ppm1      4.055 ppm2      1.177 CV     1
 ASSI {  539}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 13   and name HG1 ))
      5.400     3.600     0.600 peak   539 spectrum    1 weight  0.10000E+01 volume  0.29650E-03 ppm1      1.687 ppm2      2.614 CV     1
 ASSI {  545}
   (  segid "    " and resid 12   and name HB% )
   (  segid "    " and resid 26   and name HG1%)
      2.400     0.700     0.700 peak   545 spectrum    1 weight  0.10000E+01 volume  0.48373E-02 ppm1      1.688 ppm2      0.737 CV     1
 ASSI {  549}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 11   and name HB2 ))
      4.600     2.600     1.400 peak   549 spectrum    1 weight  0.10000E+01 volume  0.44320E-03 ppm1      1.680 ppm2      1.248 CV     1
 ASSI {  550}
   (  segid "    " and resid 12   and name HB% )
   (  segid "    " and resid 15   and name HG2%)
      4.800     2.800     1.200 peak   550 spectrum    1 weight  0.10000E+01 volume  0.48396E-03 ppm1      1.687 ppm2      1.172 CV     1
 ASSI {  552}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      2.700     0.900     0.900 peak   552 spectrum    1 weight  0.10000E+01 volume  0.36839E-02 ppm1      3.945 ppm2      7.927 CV     1
 ASSI {  553}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      5.200     3.400     0.800 peak   553 spectrum    1 weight  0.10000E+01 volume  0.29599E-03 ppm1      3.943 ppm2      8.927 CV     1
 ASSI {  558}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 13   and name HN  ))
      2.500     2.500     3.500 peak   558 spectrum    1 weight  0.10000E+01 volume  0.31954E-02 ppm1      2.304 ppm2      7.928 CV     1
 ASSI {  559}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 13   and name HN  ))
      3.500     1.500     1.500 peak   559 spectrum    1 weight  0.10000E+01 volume  0.26192E-02 ppm1      2.224 ppm2      7.927 CV     1
 ASSI {  560}
   (( segid "    " and resid 13   and name HG1 ))
   (( segid "    " and resid 14   and name HN  ))
      3.500     1.600     1.600 peak   560 spectrum    1 weight  0.10000E+01 volume  0.47848E-03 ppm1      2.619 ppm2      8.176 CV     1
 ASSI {  561}
   (( segid "    " and resid 13   and name HG2 ))
   (( segid "    " and resid 14   and name HN  ))
      3.700     1.800     1.800 peak   561 spectrum    1 weight  0.10000E+01 volume  0.84171E-03 ppm1      2.309 ppm2      8.175 CV     1
 ASSI {  563}
   (( segid "    " and resid 13   and name HG2 ))
   (( segid "    " and resid 13   and name HN  ))
      2.700     0.900     0.900 peak   563 spectrum    1 weight  0.10000E+01 volume  0.24894E-02 ppm1      2.306 ppm2      7.928 CV     1
 ASSI {  569}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 13   and name HG1 ))
      2.800     1.000     1.000 peak   569 spectrum    1 weight  0.10000E+01 volume  0.39153E-02 ppm1      2.302 ppm2      2.614 CV     1
 ASSI {  570}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 13   and name HG1 ))
      2.500     0.800     0.800 peak   570 spectrum    1 weight  0.10000E+01 volume  0.37182E-02 ppm1      2.225 ppm2      2.615 CV     1
 ASSI {  574}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HG1 ))
      3.400     1.500     1.500 peak   574 spectrum    1 weight  0.10000E+01 volume  0.21096E-02 ppm1      3.947 ppm2      2.616 CV     1
 ASSI {  581}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      3.400     1.400     1.400 peak   581 spectrum    1 weight  0.10000E+01 volume  0.11259E-02 ppm1      3.821 ppm2      8.813 CV     1
 ASSI {  583}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      3.200     1.300     1.300 peak   583 spectrum    1 weight  0.10000E+01 volume  0.14405E-02 ppm1      3.818 ppm2      8.358 CV     1
 ASSI {  584}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      2.600     0.800     0.800 peak   584 spectrum    1 weight  0.10000E+01 volume  0.41777E-02 ppm1      3.819 ppm2      8.179 CV     1
 ASSI {  587}
   (( segid "    " and resid 14   and name HB  ))
   (( segid "    " and resid 15   and name HN  ))
      2.400     0.700     0.700 peak   587 spectrum    1 weight  0.10000E+01 volume  0.29849E-02 ppm1      2.103 ppm2      8.812 CV     1
 ASSI {  588}
   (( segid "    " and resid 14   and name HB  ))
   (( segid "    " and resid 16   and name HN  ))
      4.600     2.700     1.400 peak   588 spectrum    1 weight  0.10000E+01 volume  0.41175E-03 ppm1      2.110 ppm2      8.690 CV     1
 ASSI {  590}
   (( segid "    " and resid 14   and name HB  ))
   (( segid "    " and resid 14   and name HN  ))
      2.200     0.600     0.600 peak   590 spectrum    1 weight  0.10000E+01 volume  0.56280E-02 ppm1      2.102 ppm2      8.176 CV     1
 ASSI {  593}
   (( segid "    " and resid 14   and name HG12))
   (( segid "    " and resid 14   and name HN  ))
      3.800     1.800     1.800 peak   593 spectrum    1 weight  0.10000E+01 volume  0.18532E-02 ppm1      1.057 ppm2      8.179 CV     1
 ASSI {  594}
   (( segid "    " and resid 14   and name HG11))
   (( segid "    " and resid 14   and name HN  ))
      2.200     0.600     0.600 peak   594 spectrum    1 weight  0.10000E+01 volume  0.39508E-02 ppm1      1.989 ppm2      8.177 CV     1
 ASSI {  595}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 12   and name HN  ))
      4.900     3.000     1.100 peak   595 spectrum    1 weight  0.10000E+01 volume  0.33183E-03 ppm1      0.741 ppm2      8.918 CV     1
 ASSI {  596}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 15   and name HN  ))
      3.700     1.800     1.800 peak   596 spectrum    1 weight  0.10000E+01 volume  0.24000E-02 ppm1      0.744 ppm2      8.814 CV     1
 ASSI {  597}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 14   and name HN  ))
      3.400     1.400     1.400 peak   597 spectrum    1 weight  0.10000E+01 volume  0.28378E-02 ppm1      0.745 ppm2      8.181 CV     1
 ASSI {  598}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 13   and name HN  ))
      4.800     2.900     1.200 peak   598 spectrum    1 weight  0.10000E+01 volume  0.49812E-03 ppm1      0.744 ppm2      7.920 CV     1
 ASSI {  599}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 54   and name HZ  ))
      4.100     2.100     1.900 peak   599 spectrum    1 weight  0.10000E+01 volume  0.10647E-02 ppm1      0.745 ppm2      7.466 CV     1
 OR {  599}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 54   and name HD% )
 ASSI {  600}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 54   and name HE% )
      3.400     1.400     1.400 peak   600 spectrum    1 weight  0.10000E+01 volume  0.16141E-02 ppm1      0.743 ppm2      7.128 CV     1
 ASSI {  601}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 11   and name HN  ))
      4.800     2.800     1.200 peak   601 spectrum    1 weight  0.10000E+01 volume  0.28175E-03 ppm1      0.745 ppm2      9.235 CV     1
 ASSI {  602}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 15   and name HN  ))
      3.300     1.300     1.300 peak   602 spectrum    1 weight  0.10000E+01 volume  0.19362E-02 ppm1      1.068 ppm2      8.810 CV     1
 ASSI {  603}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 16   and name HN  ))
      4.500     2.600     1.500 peak   603 spectrum    1 weight  0.10000E+01 volume  0.35729E-03 ppm1      1.066 ppm2      8.694 CV     1
 ASSI {  604}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 14   and name HN  ))
      3.700     1.700     1.700 peak   604 spectrum    1 weight  0.10000E+01 volume  0.17428E-02 ppm1      1.068 ppm2      8.183 CV     1
 ASSI {  605}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 46   and name HN  ))
      5.100     3.200     0.900 peak   605 spectrum    1 weight  0.10000E+01 volume  0.39278E-03 ppm1      1.069 ppm2      8.073 CV     1
 ASSI {  606}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 13   and name HN  ))
      5.000     3.100     1.000 peak   606 spectrum    1 weight  0.10000E+01 volume  0.54576E-03 ppm1      1.070 ppm2      7.907 CV     1
 ASSI {  607}
   (( segid "    " and resid 14   and name HB  ))
   (( segid "    " and resid 14   and name HA  ))
      2.900     1.000     1.000 peak   607 spectrum    1 weight  0.10000E+01 volume  0.21331E-02 ppm1      2.107 ppm2      3.817 CV     1
 ASSI {  608}
   (( segid "    " and resid 14   and name HB  ))
   (( segid "    " and resid 11   and name HA  ))
      2.400     0.700     0.700 peak   608 spectrum    1 weight  0.10000E+01 volume  0.38171E-02 ppm1      2.103 ppm2      4.250 CV     1
 ASSI {  610}
   (( segid "    " and resid 14   and name HG12))
   (( segid "    " and resid 14   and name HA  ))
      2.600     0.800     0.800 peak   610 spectrum    1 weight  0.10000E+01 volume  0.33315E-02 ppm1      1.059 ppm2      3.817 CV     1
 ASSI {  611}
   (( segid "    " and resid 14   and name HG12))
   (( segid "    " and resid 11   and name HA  ))
      4.900     2.900     1.100 peak   611 spectrum    1 weight  0.10000E+01 volume  0.58513E-03 ppm1      1.058 ppm2      4.256 CV     1
 ASSI {  612}
   (( segid "    " and resid 14   and name HG11))
   (( segid "    " and resid 11   and name HA  ))
      3.700     1.700     1.700 peak   612 spectrum    1 weight  0.10000E+01 volume  0.58760E-03 ppm1      1.988 ppm2      4.251 CV     1
 ASSI {  613}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 15   and name HA  ))
      3.500     1.500     1.500 peak   613 spectrum    1 weight  0.10000E+01 volume  0.12157E-02 ppm1      1.067 ppm2      3.598 CV     1
 ASSI {  614}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 46   and name HA  ))
      2.000     0.500     0.500 peak   614 spectrum    1 weight  0.10000E+01 volume  0.52351E-02 ppm1      1.068 ppm2      3.425 CV     1
 ASSI {  616}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 11   and name HA  ))
      4.200     2.200     1.800 peak   616 spectrum    1 weight  0.10000E+01 volume  0.11348E-02 ppm1      1.067 ppm2      4.248 CV     1
 ASSI {  618}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 13   and name HA  ))
      4.400     2.400     1.600 peak   618 spectrum    1 weight  0.10000E+01 volume  0.74487E-03 ppm1      1.066 ppm2      3.943 CV     1
 ASSI {  619}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 14   and name HA  ))
      2.400     0.700     0.700 peak   619 spectrum    1 weight  0.10000E+01 volume  0.42919E-02 ppm1      1.070 ppm2      3.820 CV     1
 ASSI {  622}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 13   and name HA  ))
      3.300     3.300     2.700 peak   622 spectrum    1 weight  0.10000E+01 volume  0.66242E-02 ppm1      0.745 ppm2      3.961 CV     1
 ASSI {  623}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 14   and name HA  ))
      3.900     1.900     1.900 peak   623 spectrum    1 weight  0.10000E+01 volume  0.21538E-02 ppm1      0.745 ppm2      3.823 CV     1
 ASSI {  624}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 46   and name HA  ))
      4.000     2.000     2.000 peak   624 spectrum    1 weight  0.10000E+01 volume  0.59527E-03 ppm1      0.745 ppm2      3.420 CV     1
 ASSI {  625}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 11   and name HA  ))
      4.600     2.700     1.400 peak   625 spectrum    1 weight  0.10000E+01 volume  0.65804E-03 ppm1      3.820 ppm2      4.251 CV     1
 ASSI {  626}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 17   and name HG1 ))
      3.900     1.900     1.900 peak   626 spectrum    1 weight  0.10000E+01 volume  0.43158E-03 ppm1      3.813 ppm2      2.430 CV     1
 ASSI {  629}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HG11))
      2.500     0.800     0.800 peak   629 spectrum    1 weight  0.10000E+01 volume  0.50264E-02 ppm1      3.819 ppm2      1.987 CV     1
 ASSI {  630}
   (( segid "    " and resid 14   and name HG12))
   (( segid "    " and resid 14   and name HB  ))
      3.100     1.200     1.200 peak   630 spectrum    1 weight  0.10000E+01 volume  0.18615E-02 ppm1      1.055 ppm2      2.097 CV     1
 ASSI {  631}
   (( segid "    " and resid 14   and name HG12))
   (( segid "    " and resid 14   and name HG11))
      1.600     0.300     0.600 peak   631 spectrum    1 weight  0.10000E+01 volume  0.11393E-01 ppm1      1.063 ppm2      1.988 CV     1
 ASSI {  634}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 14   and name HG11))
      3.400     1.500     1.500 peak   634 spectrum    1 weight  0.10000E+01 volume  0.22048E-02 ppm1      1.069 ppm2      1.980 CV     1
 ASSI {  640}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 14   and name HG11))
      2.100     0.500     0.500 peak   640 spectrum    1 weight  0.10000E+01 volume  0.89620E-02 ppm1      0.745 ppm2      1.988 CV     1
 ASSI {  647}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 15   and name HG2%)
      5.000     3.200     1.000 peak   647 spectrum    1 weight  0.10000E+01 volume  0.40187E-03 ppm1      3.818 ppm2      1.178 CV     1
 ASSI {  648}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 14   and name HG2%)
      2.100     0.500     0.500 peak   648 spectrum    1 weight  0.10000E+01 volume  0.11442E-01 ppm1      3.819 ppm2      1.061 CV     1
 OR {  648}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HG12))
 ASSI {  652}
   (( segid "    " and resid 14   and name HB  ))
   (  segid "    " and resid 15   and name HG2%)
      3.400     1.500     1.500 peak   652 spectrum    1 weight  0.10000E+01 volume  0.88674E-03 ppm1      2.102 ppm2      1.180 CV     1
 ASSI {  653}
   (( segid "    " and resid 14   and name HB  ))
   (  segid "    " and resid 14   and name HG2%)
      2.100     0.600     0.600 peak   653 spectrum    1 weight  0.10000E+01 volume  0.72669E-02 ppm1      2.103 ppm2      1.066 CV     1
 OR {  653}
   (( segid "    " and resid 14   and name HB  ))
   (( segid "    " and resid 14   and name HG12))
 ASSI {  655}
   (( segid "    " and resid 14   and name HB  ))
   (  segid "    " and resid 11   and name HD2%)
      4.200     2.200     1.800 peak   655 spectrum    1 weight  0.10000E+01 volume  0.80402E-03 ppm1      2.109 ppm2      0.860 CV     1
 OR {  655}
   (( segid "    " and resid 14   and name HB  ))
   (  segid "    " and resid 11   and name HD1%)
 ASSI {  657}
   (( segid "    " and resid 14   and name HB  ))
   (  segid "    " and resid 46   and name HG1%)
      3.400     1.400     1.400 peak   657 spectrum    1 weight  0.10000E+01 volume  0.43664E-03 ppm1      2.107 ppm2      0.646 CV     1
 ASSI {  662}
   (( segid "    " and resid 14   and name HG12))
   (  segid "    " and resid 14   and name HD1%)
      2.300     0.600     0.600 peak   662 spectrum    1 weight  0.10000E+01 volume  0.55732E-02 ppm1      1.058 ppm2      0.743 CV     1
 ASSI {  664}
   (  segid "    " and resid 14   and name HG2%)
   (  segid "    " and resid 46   and name HG1%)
      2.600     0.900     0.900 peak   664 spectrum    1 weight  0.10000E+01 volume  0.60857E-02 ppm1      1.068 ppm2      0.673 CV     1
 ASSI {  667}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 14   and name HG12))
      1.900     0.400     0.400 peak   667 spectrum    1 weight  0.10000E+01 volume  0.20590E-01 ppm1      0.745 ppm2      1.066 CV     1
 OR {  667}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 14   and name HG2%)
 ASSI {  668}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      2.500     0.800     0.800 peak   668 spectrum    1 weight  0.10000E+01 volume  0.32344E-02 ppm1      3.598 ppm2      8.811 CV     1
 ASSI {  669}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      3.300     1.300     1.300 peak   669 spectrum    1 weight  0.10000E+01 volume  0.11587E-02 ppm1      3.597 ppm2      8.693 CV     1
 ASSI {  670}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      2.800     1.000     1.000 peak   670 spectrum    1 weight  0.10000E+01 volume  0.18459E-02 ppm1      3.600 ppm2      8.516 CV     1
 ASSI {  674}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 15   and name HN  ))
      2.300     0.700     0.700 peak   674 spectrum    1 weight  0.10000E+01 volume  0.47720E-02 ppm1      2.250 ppm2      8.809 CV     1
 ASSI {  675}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 16   and name HN  ))
      2.600     0.800     0.800 peak   675 spectrum    1 weight  0.10000E+01 volume  0.22152E-02 ppm1      2.252 ppm2      8.694 CV     1
 ASSI {  676}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 12   and name HN  ))
      3.900     1.900     1.900 peak   676 spectrum    1 weight  0.10000E+01 volume  0.62140E-03 ppm1      1.177 ppm2      8.926 CV     1
 ASSI {  677}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 15   and name HN  ))
      2.000     0.500     0.500 peak   677 spectrum    1 weight  0.10000E+01 volume  0.68690E-02 ppm1      1.178 ppm2      8.810 CV     1
 ASSI {  678}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 16   and name HN  ))
      3.800     1.800     1.800 peak   678 spectrum    1 weight  0.10000E+01 volume  0.16530E-02 ppm1      1.178 ppm2      8.692 CV     1
 ASSI {  679}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 19   and name HN  ))
      4.800     2.900     1.200 peak   679 spectrum    1 weight  0.10000E+01 volume  0.37667E-03 ppm1      1.177 ppm2      8.526 CV     1
 ASSI {  680}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 14   and name HN  ))
      4.100     2.100     1.900 peak   680 spectrum    1 weight  0.10000E+01 volume  0.89798E-03 ppm1      1.179 ppm2      8.183 CV     1
 ASSI {  683}
   (  segid "    " and resid 15   and name HG2%)
   (  segid "    " and resid 32   and name HD% )
      3.800     1.800     1.800 peak   683 spectrum    1 weight  0.10000E+01 volume  0.15389E-02 ppm1      1.179 ppm2      7.192 CV     1
 ASSI {  685}
   (  segid "    " and resid 15   and name HG2%)
   (  segid "    " and resid 32   and name HE% )
      2.100     0.600     0.600 peak   685 spectrum    1 weight  0.10000E+01 volume  0.38853E-02 ppm1      1.178 ppm2      6.988 CV     1
 ASSI {  687}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 15   and name HN  ))
      3.700     1.700     1.700 peak   687 spectrum    1 weight  0.10000E+01 volume  0.20573E-02 ppm1      1.005 ppm2      8.810 CV     1
 ASSI {  688}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 16   and name HN  ))
      3.700     1.700     1.700 peak   688 spectrum    1 weight  0.10000E+01 volume  0.10683E-02 ppm1      1.006 ppm2      8.699 CV     1
 ASSI {  694}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 20   and name HN  ))
      4.600     2.600     1.400 peak   694 spectrum    1 weight  0.10000E+01 volume  0.21701E-03 ppm1      1.008 ppm2      7.825 CV     1
 ASSI {  696}
   (  segid "    " and resid 15   and name HG1%)
   (  segid "    " and resid 32   and name HD% )
      3.300     1.400     1.400 peak   696 spectrum    1 weight  0.10000E+01 volume  0.73907E-03 ppm1      1.004 ppm2      7.195 CV     1
 ASSI {  700}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 21   and name HN  ))
      3.000     1.100     1.100 peak   700 spectrum    1 weight  0.10000E+01 volume  0.11613E-02 ppm1      1.007 ppm2      6.459 CV     1
 ASSI {  701}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 12   and name HA  ))
      2.300     0.700     0.700 peak   701 spectrum    1 weight  0.10000E+01 volume  0.27684E-02 ppm1      2.249 ppm2      4.051 CV     1
 ASSI {  708}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 15   and name HA  ))
      2.300     0.600     0.600 peak   708 spectrum    1 weight  0.10000E+01 volume  0.71029E-02 ppm1      1.179 ppm2      3.595 CV     1
 ASSI {  710}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 15   and name HA  ))
      2.200     0.600     0.600 peak   710 spectrum    1 weight  0.10000E+01 volume  0.62853E-02 ppm1      1.004 ppm2      3.595 CV     1
 ASSI {  711}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 19   and name HA  ))
      5.700     4.100     0.300 peak   711 spectrum    1 weight  0.10000E+01 volume  0.28494E-03 ppm1      1.004 ppm2      4.808 CV     1
 ASSI {  712}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 16   and name HA  ))
      4.300     2.300     1.700 peak   712 spectrum    1 weight  0.10000E+01 volume  0.32611E-03 ppm1      1.002 ppm2      4.674 CV     1
 ASSI {  719}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 32   and name HB1 ))
      5.700     4.000     0.300 peak   719 spectrum    1 weight  0.10000E+01 volume  0.20890E-03 ppm1      1.179 ppm2      3.173 CV     1
 OR {  719}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 32   and name HB2 ))
 ASSI {  722}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 32   and name HB1 ))
      4.900     3.000     1.100 peak   722 spectrum    1 weight  0.10000E+01 volume  0.32715E-03 ppm1      1.003 ppm2      3.174 CV     1
 OR {  722}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 32   and name HB2 ))
 ASSI {  724}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 16   and name HB1 ))
      5.800     4.200     0.200 peak   724 spectrum    1 weight  0.10000E+01 volume  0.18294E-03 ppm1      1.006 ppm2      3.084 CV     1
 ASSI {  733}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 46   and name HG1%)
      4.200     2.200     1.800 peak   733 spectrum    1 weight  0.10000E+01 volume  0.63433E-03 ppm1      3.601 ppm2      0.670 CV     1
 ASSI {  741}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 38   and name HB  ))
      5.100     3.300     0.900 peak   741 spectrum    1 weight  0.10000E+01 volume  0.19302E-03 ppm1      1.178 ppm2      1.870 CV     1
 ASSI {  745}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 21   and name HG11))
      2.300     0.700     0.700 peak   745 spectrum    1 weight  0.10000E+01 volume  0.52265E-02 ppm1      1.005 ppm2      1.315 CV     1
 OR {  745}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 21   and name HG12))
 ASSI {  750}
   (  segid "    " and resid 15   and name HG2%)
   (  segid "    " and resid 46   and name HG2%)
      1.700     0.400     0.500 peak   750 spectrum    1 weight  0.10000E+01 volume  0.21911E-01 ppm1      1.178 ppm2      0.990 CV     1
 ASSI {  755}
   (  segid "    " and resid 15   and name HG2%)
   (  segid "    " and resid 69   and name HG1%)
      4.800     2.800     1.200 peak   755 spectrum    1 weight  0.10000E+01 volume  0.17335E-02 ppm1      1.177 ppm2      0.442 CV     1
 ASSI {  756}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      2.800     1.000     1.000 peak   756 spectrum    1 weight  0.10000E+01 volume  0.23993E-02 ppm1      4.669 ppm2      8.693 CV     1
 ASSI {  759}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HN  ))
      3.000     1.100     1.100 peak   759 spectrum    1 weight  0.10000E+01 volume  0.43846E-02 ppm1      3.109 ppm2      8.693 CV     1
 ASSI {  765}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
      2.700     0.900     0.900 peak   765 spectrum    1 weight  0.10000E+01 volume  0.26054E-02 ppm1      2.751 ppm2      8.360 CV     1
 ASSI {  769}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HD22))
      3.800     1.800     1.800 peak   769 spectrum    1 weight  0.10000E+01 volume  0.13841E-02 ppm1      2.756 ppm2      8.072 CV     1
 ASSI {  772}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 21   and name HN  ))
      4.900     2.900     1.100 peak   772 spectrum    1 weight  0.10000E+01 volume  0.34071E-03 ppm1      3.112 ppm2      6.457 CV     1
 ASSI {  773}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      2.500     0.800     0.800 peak   773 spectrum    1 weight  0.10000E+01 volume  0.39678E-02 ppm1      4.668 ppm2      6.459 CV     1
 ASSI {  777}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HD21))
      2.900     1.100     1.100 peak   777 spectrum    1 weight  0.10000E+01 volume  0.10617E-02 ppm1      4.667 ppm2      6.847 CV     1
 ASSI {  778}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      3.400     1.400     1.400 peak   778 spectrum    1 weight  0.10000E+01 volume  0.10073E-02 ppm1      4.666 ppm2      8.352 CV     1
 ASSI {  780}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      3.100     1.200     1.200 peak   780 spectrum    1 weight  0.10000E+01 volume  0.11737E-02 ppm1      4.661 ppm2      7.835 CV     1
 ASSI {  781}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HD22))
      3.700     1.700     1.700 peak   781 spectrum    1 weight  0.10000E+01 volume  0.29224E-02 ppm1      4.671 ppm2      8.068 CV     1
 ASSI {  783}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 21   and name HN  ))
      6.000     4.800     0.000 peak   783 spectrum    1 weight  0.10000E+01 volume  0.14183E-03 ppm1      2.740 ppm2      6.463 CV     1
 ASSI {  793}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HB1 ))
      1.800     0.400     0.400 peak   793 spectrum    1 weight  0.10000E+01 volume  0.11693E-01 ppm1      2.754 ppm2      3.110 CV     1
 ASSI {  794}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
      3.400     1.400     1.400 peak   794 spectrum    1 weight  0.10000E+01 volume  0.19323E-02 ppm1      4.676 ppm2      2.743 CV     1
 ASSI {  795}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB1 ))
      2.500     0.800     0.800 peak   795 spectrum    1 weight  0.10000E+01 volume  0.41294E-02 ppm1      4.669 ppm2      3.100 CV     1
 ASSI {  796}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 17   and name HG1 ))
      4.900     3.000     1.100 peak   796 spectrum    1 weight  0.10000E+01 volume  0.74729E-03 ppm1      3.100 ppm2      2.474 CV     1
 ASSI {  814}
   (( segid "    " and resid 17   and name HG1 ))
   (( segid "    " and resid 17   and name HN  ))
      3.700     1.700     1.700 peak   814 spectrum    1 weight  0.10000E+01 volume  0.14353E-02 ppm1      2.431 ppm2      8.362 CV     1
 ASSI {  815}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 17   and name HN  ))
      2.900     1.100     1.100 peak   815 spectrum    1 weight  0.10000E+01 volume  0.17985E-02 ppm1      2.260 ppm2      8.358 CV     1
 ASSI {  817}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      2.600     0.900     0.900 peak   817 spectrum    1 weight  0.10000E+01 volume  0.45742E-02 ppm1      3.933 ppm2      8.367 CV     1
 ASSI {  819}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
      2.700     0.900     0.900 peak   819 spectrum    1 weight  0.10000E+01 volume  0.32870E-02 ppm1      3.942 ppm2      8.041 CV     1
 ASSI {  820}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
      3.400     1.400     1.400 peak   820 spectrum    1 weight  0.10000E+01 volume  0.10594E-02 ppm1      3.945 ppm2      7.938 CV     1
 ASSI {  824}
   (( segid "    " and resid 24   and name HG1 ))
   (( segid "    " and resid 25   and name HN  ))
      3.800     1.800     1.800 peak   824 spectrum    1 weight  0.10000E+01 volume  0.11168E-02 ppm1      2.286 ppm2      7.748 CV     1
 OR {  824}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 25   and name HN  ))
 ASSI {  828}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 14   and name HA  ))
      3.900     1.900     1.900 peak   828 spectrum    1 weight  0.10000E+01 volume  0.52315E-03 ppm1      2.265 ppm2      3.815 CV     1
 ASSI {  834}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
      2.900     1.000     1.000 peak   834 spectrum    1 weight  0.10000E+01 volume  0.49510E-02 ppm1      3.930 ppm2      2.142 CV     1
 ASSI {  835}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HG1 ))
      3.500     1.500     1.500 peak   835 spectrum    1 weight  0.10000E+01 volume  0.26120E-02 ppm1      3.931 ppm2      2.430 CV     1
 ASSI {  839}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 14   and name HA  ))
      3.100     1.200     1.200 peak   839 spectrum    1 weight  0.10000E+01 volume  0.10624E-02 ppm1      2.141 ppm2      3.815 CV     1
 ASSI {  849}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      4.400     2.400     1.600 peak   849 spectrum    1 weight  0.10000E+01 volume  0.33422E-03 ppm1      3.943 ppm2      7.834 CV     1
 ASSI {  850}
   (( segid "    " and resid 18   and name HG11))
   (( segid "    " and resid 18   and name HN  ))
      2.300     0.700     0.700 peak   850 spectrum    1 weight  0.10000E+01 volume  0.28569E-02 ppm1      1.643 ppm2      8.203 CV     1
 ASSI {  851}
   (( segid "    " and resid 18   and name HG12))
   (( segid "    " and resid 18   and name HN  ))
      3.800     1.800     1.800 peak   851 spectrum    1 weight  0.10000E+01 volume  0.18699E-02 ppm1      1.324 ppm2      8.201 CV     1
 ASSI {  852}
   (( segid "    " and resid 18   and name HG12))
   (( segid "    " and resid 19   and name HN  ))
      5.700     4.000     0.300 peak   852 spectrum    1 weight  0.10000E+01 volume  0.30842E-03 ppm1      1.318 ppm2      8.500 CV     1
 ASSI {  854}
   (( segid "    " and resid 18   and name HG11))
   (( segid "    " and resid 18   and name HA  ))
      2.900     1.000     1.000 peak   854 spectrum    1 weight  0.10000E+01 volume  0.34701E-02 ppm1      1.646 ppm2      3.934 CV     1
 ASSI {  856}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 19   and name HN  ))
      3.800     1.800     1.800 peak   856 spectrum    1 weight  0.10000E+01 volume  0.15287E-02 ppm1      0.955 ppm2      8.512 CV     1
 ASSI {  861}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 18   and name HN  ))
      4.000     2.000     2.000 peak   861 spectrum    1 weight  0.10000E+01 volume  0.16697E-02 ppm1      0.958 ppm2      8.199 CV     1
 ASSI {  863}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 46   and name HN  ))
      5.100     3.200     0.900 peak   863 spectrum    1 weight  0.10000E+01 volume  0.41724E-03 ppm1      0.958 ppm2      8.047 CV     1
 ASSI {  865}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 44   and name HN  ))
      5.700     4.000     0.300 peak   865 spectrum    1 weight  0.10000E+01 volume  0.17984E-03 ppm1      0.964 ppm2      7.260 CV     1
 ASSI {  866}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 45   and name HN  ))
      4.700     2.800     1.300 peak   866 spectrum    1 weight  0.10000E+01 volume  0.49222E-03 ppm1      0.955 ppm2      6.991 CV     1
 ASSI {  869}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 45   and name HA  ))
      4.800     2.900     1.200 peak   869 spectrum    1 weight  0.10000E+01 volume  0.85102E-03 ppm1      0.782 ppm2      4.061 CV     1
 ASSI {  870}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 18   and name HA  ))
      3.700     1.700     1.700 peak   870 spectrum    1 weight  0.10000E+01 volume  0.32799E-02 ppm1      0.784 ppm2      3.938 CV     1
 ASSI {  871}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 14   and name HA  ))
      2.900     2.900     3.100 peak   871 spectrum    1 weight  0.10000E+01 volume  0.84098E-03 ppm1      0.784 ppm2      3.811 CV     1
 ASSI {  872}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 42   and name HB2 ))
      4.500     2.500     1.500 peak   872 spectrum    1 weight  0.10000E+01 volume  0.33164E-03 ppm1      0.786 ppm2      3.687 CV     1
 ASSI {  874}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 46   and name HA  ))
      2.700     0.900     0.900 peak   874 spectrum    1 weight  0.10000E+01 volume  0.50753E-02 ppm1      0.784 ppm2      3.425 CV     1
 ASSI {  875}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 42   and name HA  ))
      3.500     1.500     1.500 peak   875 spectrum    1 weight  0.10000E+01 volume  0.63853E-03 ppm1      0.786 ppm2      4.269 CV     1
 ASSI {  876}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 42   and name HA  ))
      2.700     0.900     0.900 peak   876 spectrum    1 weight  0.10000E+01 volume  0.17375E-02 ppm1      0.955 ppm2      4.290 CV     1
 ASSI {  878}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 18   and name HA  ))
      2.300     0.700     0.700 peak   878 spectrum    1 weight  0.10000E+01 volume  0.70408E-02 ppm1      0.953 ppm2      3.942 CV     1
 ASSI {  880}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 19   and name HA  ))
      3.600     1.600     1.600 peak   880 spectrum    1 weight  0.10000E+01 volume  0.88871E-03 ppm1      0.956 ppm2      4.813 CV     1
 ASSI {  881}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 15   and name HN  ))
      4.400     2.400     1.600 peak   881 spectrum    1 weight  0.10000E+01 volume  0.64694E-03 ppm1      0.784 ppm2      8.809 CV     1
 ASSI {  882}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 19   and name HN  ))
      4.900     3.000     1.100 peak   882 spectrum    1 weight  0.10000E+01 volume  0.41661E-03 ppm1      0.784 ppm2      8.499 CV     1
 ASSI {  884}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 18   and name HN  ))
      3.800     1.800     1.800 peak   884 spectrum    1 weight  0.10000E+01 volume  0.16718E-02 ppm1      0.783 ppm2      8.200 CV     1
 ASSI {  885}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 46   and name HN  ))
      3.300     1.400     1.400 peak   885 spectrum    1 weight  0.10000E+01 volume  0.14728E-02 ppm1      0.784 ppm2      8.079 CV     1
 ASSI {  886}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 49   and name HN  ))
      4.300     2.300     1.700 peak   886 spectrum    1 weight  0.10000E+01 volume  0.73482E-03 ppm1      0.784 ppm2      7.907 CV     1
 ASSI {  887}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 45   and name HN  ))
      4.600     2.700     1.400 peak   887 spectrum    1 weight  0.10000E+01 volume  0.40604E-03 ppm1      0.786 ppm2      6.991 CV     1
 ASSI {  888}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 18   and name HG11))
      2.000     0.500     0.500 peak   888 spectrum    1 weight  0.10000E+01 volume  0.10455E-01 ppm1      0.783 ppm2      1.638 CV     1
 OR {  888}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 18   and name HB  ))
 ASSI {  891}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 18   and name HG12))
      2.200     0.600     0.600 peak   891 spectrum    1 weight  0.10000E+01 volume  0.59724E-02 ppm1      0.784 ppm2      1.312 CV     1
 ASSI {  892}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 45   and name HG1 ))
      4.100     2.100     1.900 peak   892 spectrum    1 weight  0.10000E+01 volume  0.10306E-02 ppm1      0.785 ppm2      2.445 CV     1
 ASSI {  896}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 46   and name HA  ))
      5.400     3.600     0.600 peak   896 spectrum    1 weight  0.10000E+01 volume  0.55517E-03 ppm1      0.958 ppm2      3.412 CV     1
 ASSI {  897}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 42   and name HB2 ))
      3.500     1.500     1.500 peak   897 spectrum    1 weight  0.10000E+01 volume  0.30850E-02 ppm1      0.954 ppm2      3.663 CV     1
 ASSI {  899}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 45   and name HG1 ))
      3.900     1.900     1.900 peak   899 spectrum    1 weight  0.10000E+01 volume  0.71034E-03 ppm1      0.955 ppm2      2.450 CV     1
 ASSI {  902}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 45   and name HB2 ))
      3.400     1.500     1.500 peak   902 spectrum    1 weight  0.10000E+01 volume  0.16698E-02 ppm1      0.963 ppm2      2.197 CV     1
 ASSI {  908}
   (( segid "    " and resid 18   and name HG11))
   (  segid "    " and resid 14   and name HG2%)
      3.300     1.400     1.400 peak   908 spectrum    1 weight  0.10000E+01 volume  0.91484E-03 ppm1      1.637 ppm2      1.068 CV     1
 OR {  908}
   (( segid "    " and resid 18   and name HG11))
   (( segid "    " and resid 14   and name HG12))
 ASSI {  910}
   (( segid "    " and resid 18   and name HG11))
   (  segid "    " and resid 18   and name HD1%)
      2.300     0.700     0.700 peak   910 spectrum    1 weight  0.10000E+01 volume  0.39686E-02 ppm1      1.645 ppm2      0.783 CV     1
 ASSI {  913}
   (( segid "    " and resid 18   and name HG12))
   (  segid "    " and resid 14   and name HG2%)
      4.200     2.200     1.800 peak   913 spectrum    1 weight  0.10000E+01 volume  0.93105E-03 ppm1      1.321 ppm2      1.063 CV     1
 ASSI {  915}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 18   and name HB  ))
      2.100     0.500     0.500 peak   915 spectrum    1 weight  0.10000E+01 volume  0.11657E-01 ppm1      0.953 ppm2      1.632 CV     1
 OR {  915}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 18   and name HG11))
 ASSI {  917}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 18   and name HG12))
      2.500     0.800     0.800 peak   917 spectrum    1 weight  0.10000E+01 volume  0.41485E-02 ppm1      0.957 ppm2      1.318 CV     1
 ASSI {  918}
   (  segid "    " and resid 18   and name HD1%)
   (  segid "    " and resid 14   and name HG2%)
      2.300     0.600     0.600 peak   918 spectrum    1 weight  0.10000E+01 volume  0.97604E-02 ppm1      0.784 ppm2      1.055 CV     1
 ASSI {  920}
   (  segid "    " and resid 18   and name HD1%)
   (  segid "    " and resid 15   and name HG2%)
      4.700     2.700     1.300 peak   920 spectrum    1 weight  0.10000E+01 volume  0.75917E-03 ppm1      0.783 ppm2      1.200 CV     1
 ASSI {  921}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 16   and name HN  ))
      4.400     2.400     1.600 peak   921 spectrum    1 weight  0.10000E+01 volume  0.72742E-03 ppm1      1.543 ppm2      8.699 CV     1
 ASSI {  923}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 19   and name HN  ))
      2.100     0.600     0.600 peak   923 spectrum    1 weight  0.10000E+01 volume  0.68690E-02 ppm1      1.543 ppm2      8.514 CV     1
 ASSI {  926}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 18   and name HN  ))
      4.100     2.100     1.900 peak   926 spectrum    1 weight  0.10000E+01 volume  0.94622E-03 ppm1      1.544 ppm2      8.208 CV     1
 ASSI {  929}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 21   and name HN  ))
      2.800     1.000     1.000 peak   929 spectrum    1 weight  0.10000E+01 volume  0.19824E-02 ppm1      1.543 ppm2      6.458 CV     1
 ASSI {  931}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 19   and name HA  ))
      2.000     0.500     0.500 peak   931 spectrum    1 weight  0.10000E+01 volume  0.12694E-01 ppm1      1.543 ppm2      4.816 CV     1
 ASSI {  938}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 15   and name HA  ))
      3.400     1.500     1.500 peak   938 spectrum    1 weight  0.10000E+01 volume  0.14558E-02 ppm1      1.543 ppm2      3.596 CV     1
 ASSI {  943}
   (  segid "    " and resid 19   and name HB% )
   (  segid "    " and resid 15   and name HG2%)
      4.100     2.100     1.900 peak   943 spectrum    1 weight  0.10000E+01 volume  0.14896E-02 ppm1      1.542 ppm2      1.186 CV     1
 ASSI {  945}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 21   and name HG11))
      2.200     0.600     0.600 peak   945 spectrum    1 weight  0.10000E+01 volume  0.57906E-02 ppm1      1.542 ppm2      1.338 CV     1
 OR {  945}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 21   and name HG12))
 ASSI {  950}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 38   and name HB  ))
      3.300     1.400     1.400 peak   950 spectrum    1 weight  0.10000E+01 volume  0.15247E-02 ppm1      1.542 ppm2      1.891 CV     1
 ASSI {  952}
   (( segid "    " and resid 20   and name HA1 ))
   (( segid "    " and resid 16   and name HA  ))
      5.200     3.400     0.800 peak   952 spectrum    1 weight  0.10000E+01 volume  0.33985E-03 ppm1      4.074 ppm2      4.663 CV     1
 ASSI {  953}
   (( segid "    " and resid 20   and name HA2 ))
   (( segid "    " and resid 16   and name HA  ))
      3.900     1.900     1.900 peak   953 spectrum    1 weight  0.10000E+01 volume  0.31843E-03 ppm1      3.951 ppm2      4.668 CV     1
 ASSI {  955}
   (( segid "    " and resid 20   and name HA1 ))
   (( segid "    " and resid 21   and name HA  ))
      4.200     2.200     1.800 peak   955 spectrum    1 weight  0.10000E+01 volume  0.30640E-03 ppm1      4.079 ppm2      4.327 CV     1
 ASSI {  956}
   (( segid "    " and resid 20   and name HA2 ))
   (( segid "    " and resid 21   and name HA  ))
      5.000     3.200     1.000 peak   956 spectrum    1 weight  0.10000E+01 volume  0.15675E-03 ppm1      3.940 ppm2      4.332 CV     1
 ASSI {  957}
   (( segid "    " and resid 20   and name HA2 ))
   (( segid "    " and resid 19   and name HA  ))
      5.100     3.200     0.900 peak   957 spectrum    1 weight  0.10000E+01 volume  0.29732E-03 ppm1      3.954 ppm2      4.816 CV     1
 ASSI {  959}
   (( segid "    " and resid 20   and name HA2 ))
   (( segid "    " and resid 16   and name HD21))
      5.100     3.300     0.900 peak   959 spectrum    1 weight  0.10000E+01 volume  0.22122E-03 ppm1      3.936 ppm2      6.855 CV     1
 ASSI {  960}
   (( segid "    " and resid 20   and name HA1 ))
   (( segid "    " and resid 21   and name HN  ))
      3.400     1.400     1.400 peak   960 spectrum    1 weight  0.10000E+01 volume  0.12665E-02 ppm1      4.065 ppm2      6.455 CV     1
 ASSI {  961}
   (( segid "    " and resid 20   and name HA2 ))
   (( segid "    " and resid 21   and name HN  ))
      3.500     1.500     1.500 peak   961 spectrum    1 weight  0.10000E+01 volume  0.10966E-02 ppm1      3.945 ppm2      6.455 CV     1
 ASSI {  962}
   (( segid "    " and resid 20   and name HA1 ))
   (( segid "    " and resid 19   and name HN  ))
      4.800     2.900     1.200 peak   962 spectrum    1 weight  0.10000E+01 volume  0.48496E-03 ppm1      4.069 ppm2      8.516 CV     1
 ASSI {  963}
   (( segid "    " and resid 20   and name HA2 ))
   (( segid "    " and resid 19   and name HN  ))
      4.600     2.600     1.400 peak   963 spectrum    1 weight  0.10000E+01 volume  0.47551E-03 ppm1      3.950 ppm2      8.516 CV     1
 ASSI {  964}
   (( segid "    " and resid 20   and name HA1 ))
   (( segid "    " and resid 20   and name HN  ))
      2.800     1.000     1.000 peak   964 spectrum    1 weight  0.10000E+01 volume  0.50282E-02 ppm1      4.066 ppm2      7.828 CV     1
 ASSI {  965}
   (( segid "    " and resid 20   and name HA2 ))
   (( segid "    " and resid 20   and name HN  ))
      2.400     0.700     0.700 peak   965 spectrum    1 weight  0.10000E+01 volume  0.44074E-02 ppm1      3.950 ppm2      7.826 CV     1
 ASSI {  967}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 21   and name HN  ))
      4.200     2.200     1.800 peak   967 spectrum    1 weight  0.10000E+01 volume  0.70006E-03 ppm1      1.007 ppm2      6.460 CV     1
 ASSI {  968}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 21   and name HN  ))
      3.300     1.400     1.400 peak   968 spectrum    1 weight  0.10000E+01 volume  0.13122E-02 ppm1      0.839 ppm2      6.460 CV     1
 ASSI {  969}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      2.500     0.800     0.800 peak   969 spectrum    1 weight  0.10000E+01 volume  0.23619E-02 ppm1      4.325 ppm2      6.457 CV     1
 ASSI {  970}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 25   and name HA  ))
      5.600     3.900     0.400 peak   970 spectrum    1 weight  0.10000E+01 volume  0.26831E-03 ppm1      1.008 ppm2      4.609 CV     1
 ASSI {  971}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 21   and name HA  ))
      2.500     0.800     0.800 peak   971 spectrum    1 weight  0.10000E+01 volume  0.27937E-02 ppm1      1.005 ppm2      4.324 CV     1
 ASSI {  973}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 22   and name HD2 ))
      2.500     0.800     0.800 peak   973 spectrum    1 weight  0.10000E+01 volume  0.24958E-02 ppm1      1.008 ppm2      3.700 CV     1
 ASSI {  977}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 22   and name HD2 ))
      4.500     2.500     1.500 peak   977 spectrum    1 weight  0.10000E+01 volume  0.75318E-03 ppm1      0.839 ppm2      3.694 CV     1
 ASSI {  980}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 21   and name HA  ))
      2.300     0.700     0.700 peak   980 spectrum    1 weight  0.10000E+01 volume  0.41925E-02 ppm1      0.839 ppm2      4.327 CV     1
 ASSI {  985}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 22   and name HD2 ))
      2.600     0.900     0.900 peak   985 spectrum    1 weight  0.10000E+01 volume  0.65740E-02 ppm1      4.325 ppm2      3.700 CV     1
 ASSI {  986}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 22   and name HD1 ))
      1.700     0.400     0.500 peak   986 spectrum    1 weight  0.10000E+01 volume  0.11664E-01 ppm1      4.325 ppm2      4.040 CV     1
 ASSI {  991}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 25   and name HB1 ))
      5.300     3.400     0.700 peak   991 spectrum    1 weight  0.10000E+01 volume  0.26545E-03 ppm1      4.325 ppm2      2.710 CV     1
 ASSI {  992}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 37   and name HB2 ))
      5.300     3.500     0.700 peak   992 spectrum    1 weight  0.10000E+01 volume  0.34830E-03 ppm1      4.327 ppm2      2.472 CV     1
 ASSI {  994}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 22   and name HG1 ))
      4.400     2.400     1.600 peak   994 spectrum    1 weight  0.10000E+01 volume  0.10460E-02 ppm1      4.325 ppm2      2.133 CV     1
 ASSI {  995}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 22   and name HG2 ))
      4.900     3.000     1.100 peak   995 spectrum    1 weight  0.10000E+01 volume  0.10198E-02 ppm1      4.324 ppm2      1.945 CV     1
 ASSI {  998}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HG11))
      2.900     1.000     1.000 peak   998 spectrum    1 weight  0.10000E+01 volume  0.27351E-02 ppm1      4.324 ppm2      1.312 CV     1
 OR {  998}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HG12))
 ASSI { 1001}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 37   and name HB2 ))
      4.000     2.000     2.000 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.88318E-03 ppm1      0.839 ppm2      2.463 CV     1
 ASSI { 1005}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 25   and name HB1 ))
      2.300     0.700     0.700 peak  1005 spectrum    1 weight  0.10000E+01 volume  0.21096E-02 ppm1      1.007 ppm2      2.678 CV     1
 ASSI { 1007}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 22   and name HB2 ))
      4.400     2.400     1.600 peak  1007 spectrum    1 weight  0.10000E+01 volume  0.41870E-03 ppm1      1.007 ppm2      1.739 CV     1
 ASSI { 1013}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 22   and name HG1 ))
      5.200     3.300     0.800 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.44717E-03 ppm1      1.007 ppm2      2.137 CV     1
 ASSI { 1015}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 21   and name HG12))
      2.600     0.900     0.900 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.28604E-02 ppm1      1.008 ppm2      1.319 CV     1
 OR { 1015}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 21   and name HG11))
 ASSI { 1016}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 21   and name HG11))
      2.000     0.500     0.500 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.88231E-02 ppm1      0.839 ppm2      1.307 CV     1
 OR { 1016}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 21   and name HG12))
 ASSI { 1023}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 16   and name HD21))
      2.800     1.000     1.000 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.21447E-02 ppm1      4.305 ppm2      6.852 CV     1
 ASSI { 1024}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      4.000     2.000     2.000 peak  1024 spectrum    1 weight  0.10000E+01 volume  0.92329E-03 ppm1      4.307 ppm2      9.241 CV     1
 ASSI { 1026}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      2.000     0.500     0.500 peak  1026 spectrum    1 weight  0.10000E+01 volume  0.13308E-01 ppm1      4.305 ppm2      8.513 CV     1
 ASSI { 1028}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 16   and name HD22))
      2.900     2.900     3.100 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.28464E-02 ppm1      4.304 ppm2      8.067 CV     1
 ASSI { 1029}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      5.700     4.000     0.300 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.23693E-03 ppm1      4.303 ppm2      7.769 CV     1
 ASSI { 1030}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 25   and name HN  ))
      5.000     3.200     1.000 peak  1030 spectrum    1 weight  0.10000E+01 volume  0.81617E-03 ppm1      2.355 ppm2      7.745 CV     1
 ASSI { 1032}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 24   and name HN  ))
      2.800     1.000     1.000 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.88492E-03 ppm1      1.763 ppm2      9.246 CV     1
 ASSI { 1033}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
      3.400     1.400     1.400 peak  1033 spectrum    1 weight  0.10000E+01 volume  0.10301E-02 ppm1      1.766 ppm2      8.515 CV     1
 ASSI { 1034}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 24   and name HN  ))
      4.200     2.200     1.800 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.89136E-03 ppm1      2.352 ppm2      9.246 CV     1
 ASSI { 1035}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 23   and name HN  ))
      3.000     1.100     1.100 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.16693E-02 ppm1      2.352 ppm2      8.513 CV     1
 ASSI { 1037}
   (( segid "    " and resid 22   and name HG2 ))
   (( segid "    " and resid 23   and name HN  ))
      5.700     4.000     0.300 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.31793E-03 ppm1      1.944 ppm2      8.518 CV     1
 ASSI { 1044}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HD2 ))
      4.000     2.000     2.000 peak  1044 spectrum    1 weight  0.10000E+01 volume  0.61606E-03 ppm1      4.299 ppm2      3.685 CV     1
 ASSI { 1045}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 23   and name HA  ))
      4.300     2.300     1.700 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.54987E-03 ppm1      4.302 ppm2      3.619 CV     1
 ASSI { 1046}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 16   and name HB1 ))
      3.400     1.500     1.500 peak  1046 spectrum    1 weight  0.10000E+01 volume  0.58011E-03 ppm1      4.305 ppm2      3.105 CV     1
 ASSI { 1048}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 25   and name HB1 ))
      6.000     4.800     0.000 peak  1048 spectrum    1 weight  0.10000E+01 volume  0.11362E-03 ppm1      4.305 ppm2      2.653 CV     1
 ASSI { 1049}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB1 ))
      2.200     0.600     0.600 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.63113E-02 ppm1      4.305 ppm2      2.351 CV     1
 ASSI { 1050}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HG1 ))
      3.300     1.400     1.400 peak  1050 spectrum    1 weight  0.10000E+01 volume  0.12315E-02 ppm1      4.307 ppm2      2.134 CV     1
 ASSI { 1051}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HG2 ))
      3.700     1.700     1.700 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.26269E-02 ppm1      4.306 ppm2      1.945 CV     1
 ASSI { 1052}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 25   and name HB1 ))
      5.600     4.000     0.400 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.51657E-03 ppm1      2.350 ppm2      2.692 CV     1
 ASSI { 1057}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 22   and name HD2 ))
      3.900     1.900     1.900 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.14331E-02 ppm1      2.351 ppm2      3.702 CV     1
 ASSI { 1060}
   (( segid "    " and resid 22   and name HD1 ))
   (( segid "    " and resid 21   and name HN  ))
      4.500     2.600     1.500 peak  1060 spectrum    1 weight  0.10000E+01 volume  0.41005E-03 ppm1      4.042 ppm2      6.452 CV     1
 ASSI { 1061}
   (( segid "    " and resid 22   and name HD2 ))
   (( segid "    " and resid 21   and name HN  ))
      3.500     3.500     2.500 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.25221E-03 ppm1      3.701 ppm2      6.456 CV     1
 ASSI { 1064}
   (( segid "    " and resid 22   and name HD1 ))
   (( segid "    " and resid 25   and name HB1 ))
      4.900     3.000     1.100 peak  1064 spectrum    1 weight  0.10000E+01 volume  0.51840E-03 ppm1      4.038 ppm2      2.690 CV     1
 ASSI { 1065}
   (( segid "    " and resid 22   and name HD2 ))
   (( segid "    " and resid 25   and name HB1 ))
      3.000     1.200     1.200 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.10599E-02 ppm1      3.702 ppm2      2.680 CV     1
 ASSI { 1066}
   (( segid "    " and resid 22   and name HD2 ))
   (( segid "    " and resid 25   and name HB2 ))
      2.800     1.000     1.000 peak  1066 spectrum    1 weight  0.10000E+01 volume  0.81151E-03 ppm1      3.700 ppm2      2.617 CV     1
 ASSI { 1067}
   (( segid "    " and resid 22   and name HD1 ))
   (( segid "    " and resid 25   and name HB2 ))
      5.200     3.400     0.800 peak  1067 spectrum    1 weight  0.10000E+01 volume  0.31897E-03 ppm1      4.042 ppm2      2.599 CV     1
 ASSI { 1069}
   (( segid "    " and resid 22   and name HD1 ))
   (( segid "    " and resid 22   and name HG1 ))
      2.300     0.700     0.700 peak  1069 spectrum    1 weight  0.10000E+01 volume  0.40352E-02 ppm1      4.040 ppm2      2.133 CV     1
 ASSI { 1070}
   (( segid "    " and resid 22   and name HD1 ))
   (( segid "    " and resid 22   and name HG2 ))
      2.600     0.800     0.800 peak  1070 spectrum    1 weight  0.10000E+01 volume  0.43162E-02 ppm1      4.040 ppm2      1.946 CV     1
 ASSI { 1071}
   (( segid "    " and resid 22   and name HD1 ))
   (( segid "    " and resid 22   and name HB2 ))
      3.800     1.800     1.800 peak  1071 spectrum    1 weight  0.10000E+01 volume  0.15508E-02 ppm1      4.040 ppm2      1.760 CV     1
 ASSI { 1072}
   (( segid "    " and resid 22   and name HD2 ))
   (( segid "    " and resid 22   and name HG1 ))
      2.900     1.000     1.000 peak  1072 spectrum    1 weight  0.10000E+01 volume  0.46774E-02 ppm1      3.702 ppm2      2.134 CV     1
 ASSI { 1073}
   (( segid "    " and resid 22   and name HD2 ))
   (( segid "    " and resid 22   and name HG2 ))
      2.400     0.700     0.700 peak  1073 spectrum    1 weight  0.10000E+01 volume  0.33192E-02 ppm1      3.702 ppm2      1.946 CV     1
 ASSI { 1074}
   (( segid "    " and resid 22   and name HD2 ))
   (( segid "    " and resid 22   and name HB2 ))
      2.700     0.900     0.900 peak  1074 spectrum    1 weight  0.10000E+01 volume  0.20923E-02 ppm1      3.701 ppm2      1.759 CV     1
 ASSI { 1078}
   (( segid "    " and resid 22   and name HG1 ))
   (( segid "    " and resid 22   and name HG2 ))
      1.600     0.300     0.600 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.17851E-01 ppm1      2.134 ppm2      1.947 CV     1
 ASSI { 1083}
   (( segid "    " and resid 22   and name HG2 ))
   (( segid "    " and resid 22   and name HB2 ))
      2.300     0.600     0.600 peak  1083 spectrum    1 weight  0.10000E+01 volume  0.49542E-02 ppm1      1.949 ppm2      1.761 CV     1
 ASSI { 1085}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 22   and name HB2 ))
      1.600     0.300     0.600 peak  1085 spectrum    1 weight  0.10000E+01 volume  0.17311E-01 ppm1      2.353 ppm2      1.759 CV     1
 ASSI { 1088}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HG1 ))
      2.900     1.000     1.000 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.52781E-02 ppm1      1.763 ppm2      2.134 CV     1
 ASSI { 1089}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 22   and name HG1 ))
      2.300     0.700     0.700 peak  1089 spectrum    1 weight  0.10000E+01 volume  0.46363E-02 ppm1      2.352 ppm2      2.134 CV     1
 ASSI { 1090}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
      3.000     1.100     1.100 peak  1090 spectrum    1 weight  0.10000E+01 volume  0.33050E-02 ppm1      4.304 ppm2      1.759 CV     1
 ASSI { 1096}
   (( segid "    " and resid 22   and name HB1 ))
   (  segid "    " and resid 23   and name HG2%)
      4.200     2.200     1.800 peak  1096 spectrum    1 weight  0.10000E+01 volume  0.10747E-02 ppm1      2.350 ppm2      0.993 CV     1
 ASSI { 1099}
   (( segid "    " and resid 22   and name HG2 ))
   (  segid "    " and resid 23   and name HG2%)
      5.600     4.000     0.400 peak  1099 spectrum    1 weight  0.10000E+01 volume  0.39015E-03 ppm1      1.946 ppm2      0.997 CV     1
 ASSI { 1100}
   (( segid "    " and resid 22   and name HD1 ))
   (( segid "    " and resid 21   and name HG11))
      4.800     2.900     1.200 peak  1100 spectrum    1 weight  0.10000E+01 volume  0.69252E-03 ppm1      4.039 ppm2      1.310 CV     1
 OR { 1100}
   (( segid "    " and resid 22   and name HD1 ))
   (( segid "    " and resid 21   and name HG12))
 ASSI { 1102}
   (( segid "    " and resid 22   and name HD1 ))
   (  segid "    " and resid 21   and name HD1%)
      4.000     2.000     2.000 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.10021E-02 ppm1      4.042 ppm2      0.833 CV     1
 ASSI { 1103}
   (( segid "    " and resid 22   and name HD2 ))
   (( segid "    " and resid 21   and name HG12))
      4.800     2.900     1.200 peak  1103 spectrum    1 weight  0.10000E+01 volume  0.64803E-03 ppm1      3.702 ppm2      1.319 CV     1
 OR { 1103}
   (( segid "    " and resid 22   and name HD2 ))
   (( segid "    " and resid 21   and name HG11))
 ASSI { 1106}
   (( segid "    " and resid 23   and name HB  ))
   (( segid "    " and resid 23   and name HN  ))
      3.000     1.100     1.100 peak  1106 spectrum    1 weight  0.10000E+01 volume  0.44061E-02 ppm1      2.043 ppm2      8.513 CV     1
 ASSI { 1107}
   (  segid "    " and resid 23   and name HG1%)
   (( segid "    " and resid 23   and name HN  ))
      2.300     0.700     0.700 peak  1107 spectrum    1 weight  0.10000E+01 volume  0.81905E-02 ppm1      1.005 ppm2      8.514 CV     1
 OR { 1107}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 23   and name HN  ))
 ASSI { 1114}
   (( segid "    " and resid 23   and name HA  ))
   (  segid "    " and resid 12   and name HB% )
      2.400     0.700     0.700 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.47222E-02 ppm1      3.614 ppm2      1.683 CV     1
 ASSI { 1119}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
      4.400     2.400     1.600 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.62825E-03 ppm1      3.614 ppm2      2.756 CV     1
 ASSI { 1120}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      4.000     2.000     2.000 peak  1120 spectrum    1 weight  0.10000E+01 volume  0.76542E-03 ppm1      3.614 ppm2      7.749 CV     1
 ASSI { 1122}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      3.000     1.100     1.100 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.12533E-02 ppm1      3.614 ppm2      9.243 CV     1
 ASSI { 1124}
   (( segid "    " and resid 23   and name HB  ))
   (( segid "    " and resid 23   and name HA  ))
      2.400     0.700     0.700 peak  1124 spectrum    1 weight  0.10000E+01 volume  0.50675E-02 ppm1      2.043 ppm2      3.613 CV     1
 ASSI { 1128}
   (  segid "    " and resid 23   and name HG1%)
   (( segid "    " and resid 24   and name HN  ))
      3.000     1.100     1.100 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.35520E-02 ppm1      1.005 ppm2      9.243 CV     1
 OR { 1128}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 24   and name HN  ))
 ASSI { 1133}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 43   and name HN  ))
      4.800     2.800     1.200 peak  1133 spectrum    1 weight  0.10000E+01 volume  0.35151E-03 ppm1      1.004 ppm2      8.395 CV     1
 ASSI { 1135}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 16   and name HD21))
      4.200     2.200     1.800 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.76067E-03 ppm1      1.005 ppm2      6.854 CV     1
 OR { 1135}
   (  segid "    " and resid 23   and name HG1%)
   (( segid "    " and resid 16   and name HD21))
 ASSI { 1138}
   (  segid "    " and resid 48   and name HG1%)
   (( segid "    " and resid 48   and name HA  ))
      2.500     0.800     0.800 peak  1138 spectrum    1 weight  0.10000E+01 volume  0.80553E-02 ppm1      0.999 ppm2      3.949 CV     1
 ASSI { 1141}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 60   and name HB1 ))
      4.000     2.000     2.000 peak  1141 spectrum    1 weight  0.10000E+01 volume  0.63721E-03 ppm1      1.006 ppm2      2.613 CV     1
 OR { 1141}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 60   and name HB2 ))
 ASSI { 1145}
   (  segid "    " and resid 23   and name HG2%)
   (  segid "    " and resid 12   and name HB% )
      2.900     1.100     1.100 peak  1145 spectrum    1 weight  0.10000E+01 volume  0.37111E-02 ppm1      1.004 ppm2      1.681 CV     1
 OR { 1145}
   (  segid "    " and resid 23   and name HG1%)
   (  segid "    " and resid 12   and name HB% )
 ASSI { 1147}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      2.800     1.000     1.000 peak  1147 spectrum    1 weight  0.10000E+01 volume  0.25913E-02 ppm1      4.605 ppm2      7.742 CV     1
 ASSI { 1149}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HB1 ))
      2.800     1.000     1.000 peak  1149 spectrum    1 weight  0.10000E+01 volume  0.32758E-02 ppm1      4.604 ppm2      2.687 CV     1
 ASSI { 1150}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HB2 ))
      2.400     0.700     0.700 peak  1150 spectrum    1 weight  0.10000E+01 volume  0.54087E-02 ppm1      4.605 ppm2      2.598 CV     1
 ASSI { 1153}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 24   and name HA  ))
      4.900     3.000     1.100 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.42264E-03 ppm1      2.594 ppm2      4.046 CV     1
 ASSI { 1158}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 26   and name HN  ))
      4.000     2.000     2.000 peak  1158 spectrum    1 weight  0.10000E+01 volume  0.77881E-03 ppm1      2.602 ppm2      7.489 CV     1
 ASSI { 1161}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HN  ))
      2.300     0.700     0.700 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.32964E-02 ppm1      2.604 ppm2      7.748 CV     1
 ASSI { 1163}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 22   and name HB2 ))
      4.400     2.400     1.600 peak  1163 spectrum    1 weight  0.10000E+01 volume  0.54293E-03 ppm1      2.682 ppm2      1.759 CV     1
 ASSI { 1164}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 22   and name HB2 ))
      3.500     1.600     1.600 peak  1164 spectrum    1 weight  0.10000E+01 volume  0.62734E-03 ppm1      2.603 ppm2      1.761 CV     1
 ASSI { 1168}
   (( segid "    " and resid 25   and name HB2 ))
   (  segid "    " and resid 21   and name HG2%)
      3.300     1.400     1.400 peak  1168 spectrum    1 weight  0.10000E+01 volume  0.23066E-02 ppm1      2.603 ppm2      1.009 CV     1
 ASSI { 1173}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 24   and name HB1 ))
      4.300     2.300     1.700 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.38433E-03 ppm1      4.603 ppm2      1.997 CV     1
 OR { 1173}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 24   and name HB2 ))
 ASSI { 1176}
   (( segid "    " and resid 26   and name HB  ))
   (( segid "    " and resid 26   and name HN  ))
      2.300     0.700     0.700 peak  1176 spectrum    1 weight  0.10000E+01 volume  0.46719E-02 ppm1      2.340 ppm2      7.488 CV     1
 ASSI { 1178}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      1.900     0.400     0.400 peak  1178 spectrum    1 weight  0.10000E+01 volume  0.98774E-02 ppm1      3.542 ppm2      6.350 CV     1
 ASSI { 1182}
   (( segid "    " and resid 26   and name HB  ))
   (( segid "    " and resid 26   and name HA  ))
      2.900     1.000     1.000 peak  1182 spectrum    1 weight  0.10000E+01 volume  0.16706E-02 ppm1      2.340 ppm2      3.540 CV     1
 ASSI { 1185}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 30   and name HG1 ))
      4.000     2.000     2.000 peak  1185 spectrum    1 weight  0.10000E+01 volume  0.98929E-03 ppm1      3.542 ppm2      1.796 CV     1
 ASSI { 1193}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 69   and name HG1%)
      3.600     1.600     1.600 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.11767E-02 ppm1      3.539 ppm2      0.444 CV     1
 ASSI { 1196}
   (( segid "    " and resid 26   and name HB  ))
   (  segid "    " and resid 12   and name HB% )
      2.200     0.600     0.600 peak  1196 spectrum    1 weight  0.10000E+01 volume  0.62058E-02 ppm1      2.340 ppm2      1.684 CV     1
 ASSI { 1208}
   (  segid "    " and resid 26   and name HG1%)
   (  segid "    " and resid 32   and name HE% )
      3.900     1.900     1.900 peak  1208 spectrum    1 weight  0.10000E+01 volume  0.44715E-03 ppm1      0.738 ppm2      6.988 CV     1
 ASSI { 1210}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 27   and name HN  ))
      3.200     1.300     1.300 peak  1210 spectrum    1 weight  0.10000E+01 volume  0.18961E-02 ppm1      0.740 ppm2      6.352 CV     1
 ASSI { 1211}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 69   and name HN  ))
      6.000     4.700     0.000 peak  1211 spectrum    1 weight  0.10000E+01 volume  0.19477E-03 ppm1      0.739 ppm2      8.143 CV     1
 ASSI { 1212}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 13   and name HN  ))
      3.600     1.600     1.600 peak  1212 spectrum    1 weight  0.10000E+01 volume  0.22351E-03 ppm1      0.738 ppm2      7.929 CV     1
 ASSI { 1214}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 25   and name HN  ))
      5.500     3.800     0.500 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.29918E-03 ppm1      0.743 ppm2      7.737 CV     1
 ASSI { 1218}
   (( segid "    " and resid 26   and name HB  ))
   (( segid "    " and resid 25   and name HN  ))
      4.400     2.500     1.600 peak  1218 spectrum    1 weight  0.10000E+01 volume  0.42923E-03 ppm1      2.344 ppm2      7.752 CV     1
 ASSI { 1221}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 12   and name HN  ))
      3.000     1.100     1.100 peak  1221 spectrum    1 weight  0.10000E+01 volume  0.14361E-02 ppm1      0.738 ppm2      8.922 CV     1
 ASSI { 1222}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 15   and name HN  ))
      5.000     3.100     1.000 peak  1222 spectrum    1 weight  0.10000E+01 volume  0.37861E-03 ppm1      0.736 ppm2      8.811 CV     1
 ASSI { 1224}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 16   and name HN  ))
      4.300     2.300     1.700 peak  1224 spectrum    1 weight  0.10000E+01 volume  0.74281E-04 ppm1      0.734 ppm2      8.676 CV     1
 ASSI { 1225}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 28   and name HN  ))
      5.300     3.600     0.700 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.15130E-03 ppm1      0.739 ppm2      8.453 CV     1
 ASSI { 1231}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 27   and name HN  ))
      3.800     1.800     1.800 peak  1231 spectrum    1 weight  0.10000E+01 volume  0.11340E-02 ppm1      2.064 ppm2      6.354 CV     1
 ASSI { 1242}
   (( segid "    " and resid 30   and name HD2 ))
   (( segid "    " and resid 35   and name HB2 ))
      3.900     1.900     1.900 peak  1242 spectrum    1 weight  0.10000E+01 volume  0.11027E-02 ppm1      1.479 ppm2      2.716 CV     1
 ASSI { 1243}
   (( segid "    " and resid 30   and name HD1 ))
   (( segid "    " and resid 30   and name HE1 ))
      2.700     0.900     0.900 peak  1243 spectrum    1 weight  0.10000E+01 volume  0.26225E-02 ppm1      1.571 ppm2      2.995 CV     1
 OR { 1243}
   (( segid "    " and resid 30   and name HD1 ))
   (( segid "    " and resid 30   and name HE2 ))
 ASSI { 1246}
   (( segid "    " and resid 30   and name HD2 ))
   (( segid "    " and resid 30   and name HA  ))
      2.700     0.900     0.900 peak  1246 spectrum    1 weight  0.10000E+01 volume  0.21086E-02 ppm1      1.476 ppm2      4.400 CV     1
 ASSI { 1247}
   (( segid "    " and resid 30   and name HD1 ))
   (( segid "    " and resid 30   and name HB1 ))
      3.400     1.400     1.400 peak  1247 spectrum    1 weight  0.10000E+01 volume  0.11758E-02 ppm1      1.575 ppm2      2.063 CV     1
 ASSI { 1250}
   (( segid "    " and resid 30   and name HD2 ))
   (( segid "    " and resid 30   and name HG1 ))
      2.400     0.700     0.700 peak  1250 spectrum    1 weight  0.10000E+01 volume  0.30567E-02 ppm1      1.480 ppm2      1.804 CV     1
 ASSI { 1252}
   (( segid "    " and resid 30   and name HD2 ))
   (( segid "    " and resid 30   and name HG2 ))
      2.800     1.000     1.000 peak  1252 spectrum    1 weight  0.10000E+01 volume  0.42221E-02 ppm1      1.475 ppm2      1.357 CV     1
 OR { 1252}
   (( segid "    " and resid 30   and name HD2 ))
   (( segid "    " and resid 30   and name HB2 ))
 ASSI { 1253}
   (( segid "    " and resid 30   and name HD1 ))
   (( segid "    " and resid 30   and name HG2 ))
      2.300     0.700     0.700 peak  1253 spectrum    1 weight  0.10000E+01 volume  0.50661E-02 ppm1      1.569 ppm2      1.351 CV     1
 OR { 1253}
   (( segid "    " and resid 30   and name HD1 ))
   (( segid "    " and resid 30   and name HB2 ))
 ASSI { 1254}
   (( segid "    " and resid 30   and name HD1 ))
   (( segid "    " and resid 31   and name HN  ))
      5.100     3.300     0.900 peak  1254 spectrum    1 weight  0.10000E+01 volume  0.41776E-03 ppm1      1.572 ppm2     10.152 CV     1
 ASSI { 1255}
   (( segid "    " and resid 30   and name HD2 ))
   (( segid "    " and resid 31   and name HN  ))
      5.100     3.300     0.900 peak  1255 spectrum    1 weight  0.10000E+01 volume  0.39775E-03 ppm1      1.467 ppm2     10.163 CV     1
 ASSI { 1256}
   (( segid "    " and resid 30   and name HD1 ))
   (  segid "    " and resid 36   and name HD2%)
      4.500     2.500     1.500 peak  1256 spectrum    1 weight  0.10000E+01 volume  0.76798E-03 ppm1      1.568 ppm2      0.775 CV     1
 ASSI { 1257}
   (( segid "    " and resid 30   and name HD2 ))
   (  segid "    " and resid 36   and name HD2%)
      4.200     2.200     1.800 peak  1257 spectrum    1 weight  0.10000E+01 volume  0.53708E-03 ppm1      1.463 ppm2      0.764 CV     1
 ASSI { 1258}
   (( segid "    " and resid 27   and name HD1 ))
   (( segid "    " and resid 27   and name HA  ))
      3.900     1.900     1.900 peak  1258 spectrum    1 weight  0.10000E+01 volume  0.64292E-03 ppm1      1.733 ppm2      4.626 CV     1
 ASSI { 1259}
   (( segid "    " and resid 27   and name HD2 ))
   (( segid "    " and resid 27   and name HA  ))
      4.600     2.600     1.400 peak  1259 spectrum    1 weight  0.10000E+01 volume  0.54494E-03 ppm1      1.638 ppm2      4.632 CV     1
 ASSI { 1269}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 70   and name HN  ))
      2.100     0.500     0.500 peak  1269 spectrum    1 weight  0.10000E+01 volume  0.31194E-02 ppm1      3.585 ppm2      9.409 CV     1
 ASSI { 1272}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HN  ))
      2.600     0.800     0.800 peak  1272 spectrum    1 weight  0.10000E+01 volume  0.20711E-02 ppm1      3.584 ppm2      8.461 CV     1
 ASSI { 1275}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 69   and name HN  ))
      4.300     2.300     1.700 peak  1275 spectrum    1 weight  0.10000E+01 volume  0.75958E-03 ppm1      3.584 ppm2      8.140 CV     1
 ASSI { 1277}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 70   and name HN  ))
      5.500     3.800     0.500 peak  1277 spectrum    1 weight  0.10000E+01 volume  0.28228E-03 ppm1      1.737 ppm2      9.413 CV     1
 ASSI { 1278}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 70   and name HN  ))
      4.300     2.300     1.700 peak  1278 spectrum    1 weight  0.10000E+01 volume  0.47811E-03 ppm1      1.460 ppm2      9.410 CV     1
 ASSI { 1279}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HN  ))
      3.600     1.600     1.600 peak  1279 spectrum    1 weight  0.10000E+01 volume  0.13246E-02 ppm1      1.465 ppm2      8.458 CV     1
 ASSI { 1281}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 28   and name HN  ))
      2.600     0.800     0.800 peak  1281 spectrum    1 weight  0.10000E+01 volume  0.24008E-02 ppm1      1.736 ppm2      8.460 CV     1
 ASSI { 1283}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 70   and name HA2 ))
      3.000     1.100     1.100 peak  1283 spectrum    1 weight  0.10000E+01 volume  0.93471E-03 ppm1      1.460 ppm2      3.796 CV     1
 ASSI { 1284}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 70   and name HA2 ))
      4.800     2.800     1.200 peak  1284 spectrum    1 weight  0.10000E+01 volume  0.38487E-03 ppm1      1.735 ppm2      3.789 CV     1
 ASSI { 1286}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 28   and name HA  ))
      2.700     0.900     0.900 peak  1286 spectrum    1 weight  0.10000E+01 volume  0.22903E-02 ppm1      1.736 ppm2      3.578 CV     1
 ASSI { 1287}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 70   and name HA1 ))
      4.600     2.600     1.400 peak  1287 spectrum    1 weight  0.10000E+01 volume  0.57106E-03 ppm1      1.736 ppm2      4.007 CV     1
 ASSI { 1296}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 70   and name HA2 ))
      3.100     1.200     1.200 peak  1296 spectrum    1 weight  0.10000E+01 volume  0.11219E-02 ppm1      3.584 ppm2      3.789 CV     1
 ASSI { 1297}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 29   and name HB2 ))
      4.800     2.900     1.200 peak  1297 spectrum    1 weight  0.10000E+01 volume  0.30167E-03 ppm1      3.582 ppm2      2.583 CV     1
 ASSI { 1298}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 69   and name HB  ))
      1.900     0.400     0.400 peak  1298 spectrum    1 weight  0.10000E+01 volume  0.71047E-02 ppm1      3.584 ppm2      2.276 CV     1
 ASSI { 1300}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HB1 ))
      2.400     0.700     0.700 peak  1300 spectrum    1 weight  0.10000E+01 volume  0.48464E-02 ppm1      3.584 ppm2      1.745 CV     1
 OR { 1300}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HG  ))
 ASSI { 1302}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HB2 ))
      2.100     0.600     0.600 peak  1302 spectrum    1 weight  0.10000E+01 volume  0.46116E-02 ppm1      3.584 ppm2      1.464 CV     1
 ASSI { 1306}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 28   and name HD1%)
      2.800     1.000     1.000 peak  1306 spectrum    1 weight  0.10000E+01 volume  0.71267E-02 ppm1      3.584 ppm2      0.808 CV     1
 ASSI { 1308}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 69   and name HG2%)
      3.200     1.300     1.300 peak  1308 spectrum    1 weight  0.10000E+01 volume  0.57148E-02 ppm1      3.584 ppm2      0.646 CV     1
 ASSI { 1310}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 69   and name HG1%)
      3.100     1.200     1.200 peak  1310 spectrum    1 weight  0.10000E+01 volume  0.16153E-02 ppm1      3.583 ppm2      0.442 CV     1
 ASSI { 1313}
   (( segid "    " and resid 28   and name HB1 ))
   (  segid "    " and resid 28   and name HD2%)
      2.400     0.700     0.700 peak  1313 spectrum    1 weight  0.10000E+01 volume  0.58682E-02 ppm1      1.737 ppm2      0.906 CV     1
 ASSI { 1314}
   (( segid "    " and resid 28   and name HB1 ))
   (  segid "    " and resid 28   and name HD1%)
      3.500     1.500     1.500 peak  1314 spectrum    1 weight  0.10000E+01 volume  0.25861E-02 ppm1      1.736 ppm2      0.811 CV     1
 ASSI { 1315}
   (( segid "    " and resid 28   and name HB2 ))
   (  segid "    " and resid 28   and name HD2%)
      2.900     1.100     1.100 peak  1315 spectrum    1 weight  0.10000E+01 volume  0.44926E-02 ppm1      1.469 ppm2      0.909 CV     1
 ASSI { 1320}
   (( segid "    " and resid 28   and name HG  ))
   (( segid "    " and resid 28   and name HA  ))
      3.300     1.300     1.300 peak  1320 spectrum    1 weight  0.10000E+01 volume  0.14162E-02 ppm1      1.769 ppm2      3.585 CV     1
 ASSI { 1322}
   (( segid "    " and resid 28   and name HG  ))
   (( segid "    " and resid 28   and name HN  ))
      2.800     1.000     1.000 peak  1322 spectrum    1 weight  0.10000E+01 volume  0.29426E-02 ppm1      1.768 ppm2      8.464 CV     1
 ASSI { 1323}
   (( segid "    " and resid 28   and name HG  ))
   (( segid "    " and resid 29   and name HB2 ))
      4.300     2.300     1.700 peak  1323 spectrum    1 weight  0.10000E+01 volume  0.24722E-03 ppm1      1.767 ppm2      2.589 CV     1
 ASSI { 1327}
   (( segid "    " and resid 28   and name HG  ))
   (  segid "    " and resid 28   and name HD1%)
      2.700     0.900     0.900 peak  1327 spectrum    1 weight  0.10000E+01 volume  0.24939E-02 ppm1      1.768 ppm2      0.813 CV     1
 ASSI { 1328}
   (( segid "    " and resid 28   and name HG  ))
   (  segid "    " and resid 69   and name HG2%)
      4.900     3.000     1.100 peak  1328 spectrum    1 weight  0.10000E+01 volume  0.52214E-03 ppm1      1.776 ppm2      0.665 CV     1
 ASSI { 1329}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 28   and name HB2 ))
      2.500     0.800     0.800 peak  1329 spectrum    1 weight  0.10000E+01 volume  0.37081E-02 ppm1      0.811 ppm2      1.476 CV     1
 ASSI { 1330}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 28   and name HG  ))
      2.500     0.800     0.800 peak  1330 spectrum    1 weight  0.10000E+01 volume  0.66320E-02 ppm1      0.810 ppm2      1.755 CV     1
 OR { 1330}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 28   and name HB1 ))
 ASSI { 1331}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 70   and name HA1 ))
      2.500     0.800     0.800 peak  1331 spectrum    1 weight  0.10000E+01 volume  0.35274E-02 ppm1      0.811 ppm2      4.011 CV     1
 ASSI { 1332}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 70   and name HA2 ))
      3.000     1.100     1.100 peak  1332 spectrum    1 weight  0.10000E+01 volume  0.57116E-02 ppm1      0.811 ppm2      3.792 CV     1
 ASSI { 1340}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 73   and name HB  ))
      4.100     2.100     1.900 peak  1340 spectrum    1 weight  0.10000E+01 volume  0.18427E-02 ppm1      0.812 ppm2      4.188 CV     1
 ASSI { 1341}
   (  segid "    " and resid 28   and name HD2%)
   (( segid "    " and resid 28   and name HA  ))
      4.600     2.700     1.400 peak  1341 spectrum    1 weight  0.10000E+01 volume  0.52511E-03 ppm1      0.905 ppm2      3.591 CV     1
 ASSI { 1342}
   (  segid "    " and resid 28   and name HD2%)
   (( segid "    " and resid 70   and name HA2 ))
      4.700     2.700     1.300 peak  1342 spectrum    1 weight  0.10000E+01 volume  0.53585E-03 ppm1      0.908 ppm2      3.802 CV     1
 ASSI { 1344}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 30   and name HN  ))
      4.700     2.700     1.300 peak  1344 spectrum    1 weight  0.10000E+01 volume  0.33399E-03 ppm1      0.807 ppm2      7.513 CV     1
 ASSI { 1351}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 69   and name HN  ))
      6.000     4.600     0.000 peak  1351 spectrum    1 weight  0.10000E+01 volume  0.14109E-03 ppm1      0.810 ppm2      8.101 CV     1
 ASSI { 1352}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 74   and name HN  ))
      5.500     3.700     0.500 peak  1352 spectrum    1 weight  0.10000E+01 volume  0.18030E-03 ppm1      0.813 ppm2      8.043 CV     1
 ASSI { 1354}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 73   and name HN  ))
      5.200     3.400     0.800 peak  1354 spectrum    1 weight  0.10000E+01 volume  0.42283E-03 ppm1      0.811 ppm2      8.660 CV     1
 ASSI { 1357}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 28   and name HN  ))
      4.500     2.500     1.500 peak  1357 spectrum    1 weight  0.10000E+01 volume  0.80146E-03 ppm1      0.809 ppm2      8.459 CV     1
 ASSI { 1359}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 70   and name HN  ))
      3.800     1.800     1.800 peak  1359 spectrum    1 weight  0.10000E+01 volume  0.12284E-02 ppm1      0.811 ppm2      9.402 CV     1
 ASSI { 1360}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      5.300     3.600     0.700 peak  1360 spectrum    1 weight  0.10000E+01 volume  0.10748E-03 ppm1      3.589 ppm2      6.355 CV     1
 ASSI { 1363}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 28   and name HG  ))
      5.000     3.100     1.000 peak  1363 spectrum    1 weight  0.10000E+01 volume  0.17971E-03 ppm1      2.788 ppm2      1.765 CV     1
 ASSI { 1364}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 28   and name HB1 ))
      5.100     3.300     0.900 peak  1364 spectrum    1 weight  0.10000E+01 volume  0.26156E-03 ppm1      2.605 ppm2      1.732 CV     1
 ASSI { 1367}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
      2.600     0.900     0.900 peak  1367 spectrum    1 weight  0.10000E+01 volume  0.16739E-02 ppm1      1.382 ppm2      7.500 CV     1
 ASSI { 1369}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 27   and name HN  ))
      2.700     0.900     0.900 peak  1369 spectrum    1 weight  0.10000E+01 volume  0.74875E-03 ppm1      1.387 ppm2      6.352 CV     1
 ASSI { 1371}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
      4.400     2.500     1.600 peak  1371 spectrum    1 weight  0.10000E+01 volume  0.79406E-03 ppm1      4.401 ppm2      3.860 CV     1
 ASSI { 1373}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HE2 ))
      4.800     2.900     1.200 peak  1373 spectrum    1 weight  0.10000E+01 volume  0.49775E-03 ppm1      4.401 ppm2      2.951 CV     1
 ASSI { 1375}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HB1 ))
      2.500     0.800     0.800 peak  1375 spectrum    1 weight  0.10000E+01 volume  0.22825E-02 ppm1      4.403 ppm2      2.055 CV     1
 ASSI { 1376}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HG1 ))
      3.200     1.200     1.200 peak  1376 spectrum    1 weight  0.10000E+01 volume  0.16367E-02 ppm1      4.404 ppm2      1.803 CV     1
 ASSI { 1379}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
      2.600     0.800     0.800 peak  1379 spectrum    1 weight  0.10000E+01 volume  0.46007E-02 ppm1      4.401 ppm2      1.368 CV     1
 OR { 1379}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HG2 ))
 ASSI { 1380}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      2.000     0.500     0.500 peak  1380 spectrum    1 weight  0.10000E+01 volume  0.88291E-02 ppm1      4.401 ppm2     10.163 CV     1
 ASSI { 1384}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 31   and name HA  ))
      5.000     3.100     1.000 peak  1384 spectrum    1 weight  0.10000E+01 volume  0.22159E-03 ppm1      4.403 ppm2      4.923 CV     1
 ASSI { 1397}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HG1 ))
      2.500     0.800     0.800 peak  1397 spectrum    1 weight  0.10000E+01 volume  0.38172E-02 ppm1      1.386 ppm2      1.806 CV     1
 ASSI { 1399}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 30   and name HB2 ))
      1.600     0.300     0.600 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.11213E-01 ppm1      2.055 ppm2      1.373 CV     1
 OR { 1399}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 30   and name HG2 ))
 ASSI { 1400}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 30   and name HG1 ))
      2.200     0.600     0.600 peak  1400 spectrum    1 weight  0.10000E+01 volume  0.38134E-02 ppm1      2.056 ppm2      1.801 CV     1
 ASSI { 1403}
   (( segid "    " and resid 30   and name HB1 ))
   (  segid "    " and resid 69   and name HG1%)
      4.100     2.100     1.900 peak  1403 spectrum    1 weight  0.10000E+01 volume  0.17595E-02 ppm1      2.056 ppm2      0.440 CV     1
 ASSI { 1404}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 31   and name HN  ))
      4.300     2.300     1.700 peak  1404 spectrum    1 weight  0.10000E+01 volume  0.58628E-03 ppm1      2.057 ppm2     10.162 CV     1
 ASSI { 1405}
   (( segid "    " and resid 30   and name HB2 ))
   (  segid "    " and resid 36   and name HD2%)
      3.200     1.300     1.300 peak  1405 spectrum    1 weight  0.10000E+01 volume  0.13827E-02 ppm1      1.379 ppm2      0.767 CV     1
 ASSI { 1407}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 31   and name HN  ))
      4.200     2.200     1.800 peak  1407 spectrum    1 weight  0.10000E+01 volume  0.85354E-03 ppm1      1.385 ppm2     10.159 CV     1
 ASSI { 1426}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 31   and name HN  ))
      5.500     3.800     0.500 peak  1426 spectrum    1 weight  0.10000E+01 volume  0.31340E-03 ppm1      1.349 ppm2     10.162 CV     1
 ASSI { 1427}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 31   and name HN  ))
      3.000     1.100     1.100 peak  1427 spectrum    1 weight  0.10000E+01 volume  0.28164E-02 ppm1      4.099 ppm2     10.168 CV     1
 ASSI { 1428}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HN  ))
      2.400     0.700     0.700 peak  1428 spectrum    1 weight  0.10000E+01 volume  0.42093E-02 ppm1      3.863 ppm2     10.161 CV     1
 ASSI { 1429}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      2.700     0.900     0.900 peak  1429 spectrum    1 weight  0.10000E+01 volume  0.13715E-02 ppm1      4.918 ppm2     10.171 CV     1
 ASSI { 1430}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 68   and name HG2%)
      2.300     0.700     0.700 peak  1430 spectrum    1 weight  0.10000E+01 volume  0.37214E-02 ppm1      4.914 ppm2      1.059 CV     1
 ASSI { 1432}
   (( segid "    " and resid 31   and name HB2 ))
   (  segid "    " and resid 68   and name HG2%)
      3.800     1.800     1.800 peak  1432 spectrum    1 weight  0.10000E+01 volume  0.75770E-03 ppm1      3.862 ppm2      1.062 CV     1
 ASSI { 1435}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 35   and name HB1 ))
      4.500     2.500     1.500 peak  1435 spectrum    1 weight  0.10000E+01 volume  0.84668E-03 ppm1      3.861 ppm2      3.055 CV     1
 ASSI { 1436}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 34   and name HB1 ))
      2.700     0.900     0.900 peak  1436 spectrum    1 weight  0.10000E+01 volume  0.17581E-02 ppm1      3.862 ppm2      2.770 CV     1
 ASSI { 1437}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 34   and name HB2 ))
      3.500     3.500     2.500 peak  1437 spectrum    1 weight  0.10000E+01 volume  0.29126E-02 ppm1      3.863 ppm2      2.445 CV     1
 ASSI { 1439}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 34   and name HB2 ))
      3.500     1.500     1.500 peak  1439 spectrum    1 weight  0.10000E+01 volume  0.19149E-02 ppm1      4.099 ppm2      2.439 CV     1
 ASSI { 1449}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HA  ))
      3.000     1.100     1.100 peak  1449 spectrum    1 weight  0.10000E+01 volume  0.11919E-02 ppm1      3.864 ppm2      4.915 CV     1
 ASSI { 1456}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HB1 ))
      2.200     0.600     0.600 peak  1456 spectrum    1 weight  0.10000E+01 volume  0.64506E-02 ppm1      4.088 ppm2      3.162 CV     1
 OR { 1456}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HB2 ))
 ASSI { 1459}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 68   and name HA  ))
      1.800     0.400     0.400 peak  1459 spectrum    1 weight  0.10000E+01 volume  0.68841E-02 ppm1      4.917 ppm2      5.246 CV     1
 ASSI { 1460}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 32   and name HD% )
      4.300     2.400     1.700 peak  1460 spectrum    1 weight  0.10000E+01 volume  0.68174E-03 ppm1      4.921 ppm2      7.175 CV     1
 ASSI { 1462}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      4.000     2.000     2.000 peak  1462 spectrum    1 weight  0.10000E+01 volume  0.64237E-03 ppm1      4.088 ppm2      7.328 CV     1
 ASSI { 1464}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 32   and name HD% )
      2.500     0.800     0.800 peak  1464 spectrum    1 weight  0.10000E+01 volume  0.42508E-02 ppm1      4.088 ppm2      7.188 CV     1
 ASSI { 1465}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 32   and name HE% )
      4.000     2.000     2.000 peak  1465 spectrum    1 weight  0.10000E+01 volume  0.67562E-03 ppm1      4.089 ppm2      6.989 CV     1
 ASSI { 1467}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      2.100     0.500     0.500 peak  1467 spectrum    1 weight  0.10000E+01 volume  0.54051E-02 ppm1      4.916 ppm2      8.223 CV     1
 ASSI { 1468}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 69   and name HN  ))
      3.400     1.500     1.500 peak  1468 spectrum    1 weight  0.10000E+01 volume  0.12139E-02 ppm1      4.916 ppm2      8.128 CV     1
 ASSI { 1474}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 35   and name HN  ))
      3.000     1.100     1.100 peak  1474 spectrum    1 weight  0.10000E+01 volume  0.18521E-02 ppm1      3.863 ppm2      7.721 CV     1
 ASSI { 1475}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 33   and name HN  ))
      4.500     2.500     1.500 peak  1475 spectrum    1 weight  0.10000E+01 volume  0.30858E-03 ppm1      3.863 ppm2      8.653 CV     1
 ASSI { 1483}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 38   and name HB  ))
      3.600     1.600     1.600 peak  1483 spectrum    1 weight  0.10000E+01 volume  0.69819E-03 ppm1      4.081 ppm2      1.893 CV     1
 ASSI { 1491}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 31   and name HA  ))
      4.900     3.000     1.100 peak  1491 spectrum    1 weight  0.10000E+01 volume  0.39111E-03 ppm1      3.173 ppm2      4.912 CV     1
 OR { 1491}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 31   and name HA  ))
 ASSI { 1494}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 68   and name HA  ))
      4.900     3.000     1.100 peak  1494 spectrum    1 weight  0.10000E+01 volume  0.24977E-03 ppm1      3.164 ppm2      5.250 CV     1
 OR { 1494}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 68   and name HA  ))
 ASSI { 1495}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 37   and name HN  ))
      4.700     2.700     1.300 peak  1495 spectrum    1 weight  0.10000E+01 volume  0.48514E-03 ppm1      3.159 ppm2      7.300 CV     1
 OR { 1495}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 37   and name HN  ))
 ASSI { 1496}
   (( segid "    " and resid 32   and name HB2 ))
   (  segid "    " and resid 32   and name HD% )
      2.100     0.500     0.500 peak  1496 spectrum    1 weight  0.10000E+01 volume  0.75437E-02 ppm1      3.164 ppm2      7.191 CV     1
 OR { 1496}
   (( segid "    " and resid 32   and name HB1 ))
   (  segid "    " and resid 32   and name HD% )
 ASSI { 1523}
   (  segid "    " and resid 32   and name HE% )
   (  segid "    " and resid 32   and name HD% )
      2.200     0.600     0.600 peak  1523 spectrum    1 weight  0.10000E+01 volume  0.39489E-02 ppm1      6.987 ppm2      7.190 CV     1
 ASSI { 1542}
   (( segid "    " and resid 32   and name HZ  ))
   (  segid "    " and resid 32   and name HE% )
      2.200     0.600     0.600 peak  1542 spectrum    1 weight  0.10000E+01 volume  0.50154E-02 ppm1      6.850 ppm2      6.985 CV     1
 ASSI { 1543}
   (( segid "    " and resid 32   and name HZ  ))
   (  segid "    " and resid 32   and name HD% )
      4.100     2.100     1.900 peak  1543 spectrum    1 weight  0.10000E+01 volume  0.60162E-03 ppm1      6.850 ppm2      7.192 CV     1
 ASSI { 1548}
   (( segid "    " and resid 32   and name HZ  ))
   (  segid "    " and resid 69   and name HG1%)
      3.600     1.600     1.600 peak  1548 spectrum    1 weight  0.10000E+01 volume  0.66987E-03 ppm1      6.853 ppm2      0.443 CV     1
 ASSI { 1554}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      3.600     1.600     1.600 peak  1554 spectrum    1 weight  0.10000E+01 volume  0.46432E-03 ppm1      4.493 ppm2      7.982 CV     1
 ASSI { 1556}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      2.900     1.000     1.000 peak  1556 spectrum    1 weight  0.10000E+01 volume  0.22163E-02 ppm1      4.488 ppm2      8.649 CV     1
 ASSI { 1559}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      3.700     1.700     1.700 peak  1559 spectrum    1 weight  0.10000E+01 volume  0.93461E-03 ppm1      4.489 ppm2      7.349 CV     1
 ASSI { 1562}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HB  ))
      2.300     0.700     0.700 peak  1562 spectrum    1 weight  0.10000E+01 volume  0.62469E-02 ppm1      4.488 ppm2      4.167 CV     1
 ASSI { 1563}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 32   and name HB1 ))
      4.100     2.100     1.900 peak  1563 spectrum    1 weight  0.10000E+01 volume  0.10053E-02 ppm1      4.489 ppm2      3.168 CV     1
 OR { 1563}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 32   and name HB2 ))
 ASSI { 1570}
   (( segid "    " and resid 33   and name HB  ))
   (( segid "    " and resid 33   and name HN  ))
      3.200     1.300     1.300 peak  1570 spectrum    1 weight  0.10000E+01 volume  0.29804E-02 ppm1      4.170 ppm2      8.648 CV     1
 ASSI { 1572}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 38   and name HB  ))
      4.000     2.000     2.000 peak  1572 spectrum    1 weight  0.10000E+01 volume  0.11328E-02 ppm1      4.490 ppm2      1.887 CV     1
 ASSI { 1573}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 33   and name HG2%)
      2.500     0.800     0.800 peak  1573 spectrum    1 weight  0.10000E+01 volume  0.85244E-02 ppm1      4.488 ppm2      1.274 CV     1
 ASSI { 1574}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 38   and name HG2%)
      3.200     1.300     1.300 peak  1574 spectrum    1 weight  0.10000E+01 volume  0.88341E-03 ppm1      4.487 ppm2      0.932 CV     1
 OR { 1574}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 38   and name HG1%)
 ASSI { 1575}
   (( segid "    " and resid 33   and name HB  ))
   (  segid "    " and resid 33   and name HG2%)
      2.200     0.600     0.600 peak  1575 spectrum    1 weight  0.10000E+01 volume  0.10759E-01 ppm1      4.169 ppm2      1.275 CV     1
 ASSI { 1576}
   (( segid "    " and resid 33   and name HB  ))
   (  segid "    " and resid 38   and name HG2%)
      4.800     2.900     1.200 peak  1576 spectrum    1 weight  0.10000E+01 volume  0.28513E-03 ppm1      4.161 ppm2      0.902 CV     1
 OR { 1576}
   (( segid "    " and resid 33   and name HB  ))
   (  segid "    " and resid 38   and name HG1%)
 ASSI { 1577}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 38   and name HB  ))
      4.600     2.600     1.400 peak  1577 spectrum    1 weight  0.10000E+01 volume  0.73249E-03 ppm1      1.275 ppm2      1.870 CV     1
 ASSI { 1579}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 40   and name H43A))
      3.000     1.100     1.100 peak  1579 spectrum    1 weight  0.10000E+01 volume  0.16159E-02 ppm1      1.277 ppm2      2.809 CV     1
 OR { 1579}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 40   and name H43B))
 ASSI { 1580}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 40   and name H38A))
      3.800     1.800     1.800 peak  1580 spectrum    1 weight  0.10000E+01 volume  0.77049E-03 ppm1      1.277 ppm2      2.460 CV     1
 OR { 1580}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 40   and name H38B))
 ASSI { 1585}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 40   and name H28A))
      5.700     4.100     0.300 peak  1585 spectrum    1 weight  0.10000E+01 volume  0.11895E-03 ppm1      1.280 ppm2      3.745 CV     1
 ASSI { 1586}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 40   and name H37B))
      4.700     2.700     1.300 peak  1586 spectrum    1 weight  0.10000E+01 volume  0.44806E-03 ppm1      1.278 ppm2      3.477 CV     1
 OR { 1586}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 40   and name H37A))
 ASSI { 1587}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 34   and name HA  ))
      4.400     2.400     1.600 peak  1587 spectrum    1 weight  0.10000E+01 volume  0.75601E-03 ppm1      1.277 ppm2      4.615 CV     1
 ASSI { 1592}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 34   and name HN  ))
      4.700     2.800     1.300 peak  1592 spectrum    1 weight  0.10000E+01 volume  0.47656E-03 ppm1      1.275 ppm2      7.984 CV     1
 ASSI { 1593}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 37   and name HN  ))
      5.900     4.300     0.100 peak  1593 spectrum    1 weight  0.10000E+01 volume  0.19858E-03 ppm1      1.274 ppm2      7.342 CV     1
 ASSI { 1594}
   (  segid "    " and resid 33   and name HG2%)
   (  segid "    " and resid 32   and name HD% )
      5.600     3.900     0.400 peak  1594 spectrum    1 weight  0.10000E+01 volume  0.25310E-03 ppm1      1.279 ppm2      7.191 CV     1
 ASSI { 1596}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HB1 ))
      1.600     0.300     0.600 peak  1596 spectrum    1 weight  0.10000E+01 volume  0.19023E-01 ppm1      2.446 ppm2      2.772 CV     1
 ASSI { 1597}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HB2 ))
      2.700     0.900     0.900 peak  1597 spectrum    1 weight  0.10000E+01 volume  0.38973E-02 ppm1      4.616 ppm2      2.445 CV     1
 ASSI { 1598}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HB1 ))
      2.700     0.900     0.900 peak  1598 spectrum    1 weight  0.10000E+01 volume  0.62245E-02 ppm1      4.616 ppm2      2.772 CV     1
 ASSI { 1599}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 31   and name HB1 ))
      3.200     1.300     1.300 peak  1599 spectrum    1 weight  0.10000E+01 volume  0.82476E-03 ppm1      2.775 ppm2      4.096 CV     1
 ASSI { 1603}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
      5.500     3.800     0.500 peak  1603 spectrum    1 weight  0.10000E+01 volume  0.38393E-03 ppm1      4.624 ppm2      3.842 CV     1
 ASSI { 1604}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 35   and name HA  ))
      5.100     3.300     0.900 peak  1604 spectrum    1 weight  0.10000E+01 volume  0.13790E-03 ppm1      2.783 ppm2      5.023 CV     1
 ASSI { 1605}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 35   and name HA  ))
      5.900     4.300     0.100 peak  1605 spectrum    1 weight  0.10000E+01 volume  0.21466E-03 ppm1      2.446 ppm2      5.013 CV     1
 ASSI { 1609}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 35   and name HN  ))
      3.100     1.200     1.200 peak  1609 spectrum    1 weight  0.10000E+01 volume  0.94284E-03 ppm1      2.774 ppm2      7.723 CV     1
 ASSI { 1611}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 35   and name HN  ))
      3.900     1.900     1.900 peak  1611 spectrum    1 weight  0.10000E+01 volume  0.11059E-02 ppm1      2.447 ppm2      7.721 CV     1
 ASSI { 1612}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      4.000     2.000     2.000 peak  1612 spectrum    1 weight  0.10000E+01 volume  0.61327E-03 ppm1      4.612 ppm2      7.725 CV     1
 ASSI { 1613}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 36   and name HN  ))
      3.200     1.300     1.300 peak  1613 spectrum    1 weight  0.10000E+01 volume  0.12057E-02 ppm1      2.716 ppm2      7.444 CV     1
 ASSI { 1614}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 37   and name HN  ))
      5.800     4.200     0.200 peak  1614 spectrum    1 weight  0.10000E+01 volume  0.22553E-03 ppm1      2.715 ppm2      7.330 CV     1
 ASSI { 1616}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 37   and name HN  ))
      5.400     3.600     0.600 peak  1616 spectrum    1 weight  0.10000E+01 volume  0.27546E-03 ppm1      3.041 ppm2      7.339 CV     1
 ASSI { 1620}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 31   and name HN  ))
      2.600     0.800     0.800 peak  1620 spectrum    1 weight  0.10000E+01 volume  0.16333E-02 ppm1      2.715 ppm2     10.163 CV     1
 ASSI { 1630}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 30   and name HB2 ))
      3.500     1.500     1.500 peak  1630 spectrum    1 weight  0.10000E+01 volume  0.21579E-02 ppm1      3.049 ppm2      1.372 CV     1
 OR { 1630}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 30   and name HG2 ))
 ASSI { 1631}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 30   and name HD1 ))
      3.900     1.900     1.900 peak  1631 spectrum    1 weight  0.10000E+01 volume  0.88661E-03 ppm1      3.043 ppm2      1.562 CV     1
 ASSI { 1634}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 30   and name HB2 ))
      4.100     2.100     1.900 peak  1634 spectrum    1 weight  0.10000E+01 volume  0.20095E-02 ppm1      2.717 ppm2      1.373 CV     1
 OR { 1634}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 30   and name HG2 ))
 ASSI { 1635}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 30   and name HB1 ))
      2.600     0.900     0.900 peak  1635 spectrum    1 weight  0.10000E+01 volume  0.85751E-03 ppm1      3.052 ppm2      2.053 CV     1
 ASSI { 1636}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 30   and name HG1 ))
      3.700     1.700     1.700 peak  1636 spectrum    1 weight  0.10000E+01 volume  0.45063E-03 ppm1      3.049 ppm2      1.797 CV     1
 ASSI { 1637}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 30   and name HB1 ))
      3.900     1.900     1.900 peak  1637 spectrum    1 weight  0.10000E+01 volume  0.75656E-03 ppm1      2.718 ppm2      2.051 CV     1
 ASSI { 1638}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 30   and name HG1 ))
      4.800     2.900     1.200 peak  1638 spectrum    1 weight  0.10000E+01 volume  0.51598E-03 ppm1      2.721 ppm2      1.803 CV     1
 ASSI { 1641}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
      6.000     6.000     0.000 peak  1641 spectrum    1 weight  0.10000E+01 volume  0.35952E-04 ppm1      5.020 ppm2      1.363 CV     1
 OR { 1641}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 30   and name HG2 ))
 ASSI { 1645}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 35   and name HB2 ))
      1.600     0.300     0.600 peak  1645 spectrum    1 weight  0.10000E+01 volume  0.12529E-01 ppm1      3.053 ppm2      2.715 CV     1
 ASSI { 1647}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HB1 ))
      2.700     0.900     0.900 peak  1647 spectrum    1 weight  0.10000E+01 volume  0.32308E-02 ppm1      5.022 ppm2      3.051 CV     1
 ASSI { 1648}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HB2 ))
      2.400     0.700     0.700 peak  1648 spectrum    1 weight  0.10000E+01 volume  0.67658E-02 ppm1      5.025 ppm2      2.716 CV     1
 ASSI { 1650}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 32   and name HA  ))
      4.900     3.000     1.100 peak  1650 spectrum    1 weight  0.10000E+01 volume  0.30910E-03 ppm1      3.052 ppm2      4.085 CV     1
 ASSI { 1652}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 26   and name HA  ))
      5.900     4.400     0.100 peak  1652 spectrum    1 weight  0.10000E+01 volume  0.23369E-03 ppm1      3.044 ppm2      3.521 CV     1
 ASSI { 1655}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 32   and name HA  ))
      4.900     3.000     1.100 peak  1655 spectrum    1 weight  0.10000E+01 volume  0.25004E-03 ppm1      2.718 ppm2      4.085 CV     1
 ASSI { 1656}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 31   and name HB2 ))
      3.500     1.600     1.600 peak  1656 spectrum    1 weight  0.10000E+01 volume  0.41639E-03 ppm1      2.712 ppm2      3.858 CV     1
 ASSI { 1657}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
      5.400     3.700     0.600 peak  1657 spectrum    1 weight  0.10000E+01 volume  0.16746E-03 ppm1      5.030 ppm2      3.862 CV     1
 ASSI { 1662}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      3.700     1.700     1.700 peak  1662 spectrum    1 weight  0.10000E+01 volume  0.91077E-03 ppm1      5.019 ppm2      7.453 CV     1
 ASSI { 1663}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      2.900     1.100     1.100 peak  1663 spectrum    1 weight  0.10000E+01 volume  0.21480E-02 ppm1      5.022 ppm2      7.718 CV     1
 ASSI { 1664}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      5.100     3.300     0.900 peak  1664 spectrum    1 weight  0.10000E+01 volume  0.22853E-03 ppm1      5.022 ppm2      7.339 CV     1
 ASSI { 1668}
   (( segid "    " and resid 36   and name HA  ))
   (  segid "    " and resid 36   and name HD2%)
      2.000     0.500     0.500 peak  1668 spectrum    1 weight  0.10000E+01 volume  0.99358E-02 ppm1      4.391 ppm2      0.773 CV     1
 ASSI { 1671}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 32   and name HA  ))
      3.100     1.200     1.200 peak  1671 spectrum    1 weight  0.10000E+01 volume  0.35648E-02 ppm1      2.302 ppm2      4.090 CV     1
 ASSI { 1672}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 32   and name HA  ))
      2.300     0.700     0.700 peak  1672 spectrum    1 weight  0.10000E+01 volume  0.19874E-02 ppm1      1.622 ppm2      4.088 CV     1
 ASSI { 1674}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      2.700     0.900     0.900 peak  1674 spectrum    1 weight  0.10000E+01 volume  0.25403E-02 ppm1      4.389 ppm2      7.447 CV     1
 ASSI { 1678}
   (( segid "    " and resid 36   and name HB1 ))
   (  segid "    " and resid 32   and name HD% )
      4.200     2.200     1.800 peak  1678 spectrum    1 weight  0.10000E+01 volume  0.52096E-03 ppm1      2.295 ppm2      7.187 CV     1
 ASSI { 1680}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 37   and name HN  ))
      2.400     0.700     0.700 peak  1680 spectrum    1 weight  0.10000E+01 volume  0.51657E-03 ppm1      1.618 ppm2      7.344 CV     1
 ASSI { 1681}
   (( segid "    " and resid 36   and name HB2 ))
   (  segid "    " and resid 32   and name HD% )
      3.800     1.800     1.800 peak  1681 spectrum    1 weight  0.10000E+01 volume  0.41153E-03 ppm1      1.619 ppm2      7.182 CV     1
 ASSI { 1687}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      2.600     0.900     0.900 peak  1687 spectrum    1 weight  0.10000E+01 volume  0.43915E-02 ppm1      4.396 ppm2      8.088 CV     1
 ASSI { 1690}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      2.000     2.000     4.000 peak  1690 spectrum    1 weight  0.10000E+01 volume  0.12498E-01 ppm1      4.396 ppm2      7.347 CV     1
 ASSI { 1691}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 32   and name HB1 ))
      5.300     3.500     0.700 peak  1691 spectrum    1 weight  0.10000E+01 volume  0.38016E-03 ppm1      2.308 ppm2      3.160 CV     1
 OR { 1691}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 32   and name HB2 ))
 ASSI { 1694}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 32   and name HB1 ))
      4.700     2.700     1.300 peak  1694 spectrum    1 weight  0.10000E+01 volume  0.28596E-03 ppm1      1.622 ppm2      3.153 CV     1
 OR { 1694}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 32   and name HB2 ))
 ASSI { 1697}
   (( segid "    " and resid 36   and name HB1 ))
   (  segid "    " and resid 36   and name HD2%)
      2.600     0.800     0.800 peak  1697 spectrum    1 weight  0.10000E+01 volume  0.20897E-02 ppm1      2.301 ppm2      0.773 CV     1
 ASSI { 1698}
   (( segid "    " and resid 36   and name HB1 ))
   (  segid "    " and resid 36   and name HD1%)
      2.300     0.700     0.700 peak  1698 spectrum    1 weight  0.10000E+01 volume  0.36265E-02 ppm1      2.300 ppm2      0.602 CV     1
 ASSI { 1700}
   (( segid "    " and resid 36   and name HB2 ))
   (  segid "    " and resid 36   and name HD1%)
      2.300     0.700     0.700 peak  1700 spectrum    1 weight  0.10000E+01 volume  0.37390E-02 ppm1      1.622 ppm2      0.600 CV     1
 ASSI { 1702}
   (( segid "    " and resid 36   and name HG  ))
   (( segid "    " and resid 32   and name HA  ))
      2.900     1.100     1.100 peak  1702 spectrum    1 weight  0.10000E+01 volume  0.85664E-03 ppm1      1.475 ppm2      4.086 CV     1
 ASSI { 1703}
   (( segid "    " and resid 36   and name HG  ))
   (( segid "    " and resid 36   and name HA  ))
      3.300     1.400     1.400 peak  1703 spectrum    1 weight  0.10000E+01 volume  0.13982E-02 ppm1      1.472 ppm2      4.391 CV     1
 ASSI { 1704}
   (( segid "    " and resid 36   and name HG  ))
   (( segid "    " and resid 35   and name HB1 ))
      3.200     1.300     1.300 peak  1704 spectrum    1 weight  0.10000E+01 volume  0.88135E-03 ppm1      1.473 ppm2      3.044 CV     1
 ASSI { 1708}
   (( segid "    " and resid 36   and name HG  ))
   (( segid "    " and resid 30   and name HB1 ))
      3.200     1.300     1.300 peak  1708 spectrum    1 weight  0.10000E+01 volume  0.36931E-03 ppm1      1.467 ppm2      2.050 CV     1
 ASSI { 1710}
   (( segid "    " and resid 36   and name HG  ))
   (  segid "    " and resid 36   and name HD2%)
      2.400     0.700     0.700 peak  1710 spectrum    1 weight  0.10000E+01 volume  0.25692E-02 ppm1      1.466 ppm2      0.768 CV     1
 ASSI { 1713}
   (( segid "    " and resid 36   and name HG  ))
   (( segid "    " and resid 37   and name HN  ))
      4.800     2.900     1.200 peak  1713 spectrum    1 weight  0.10000E+01 volume  0.36042E-03 ppm1      1.479 ppm2      7.337 CV     1
 ASSI { 1715}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 30   and name HB1 ))
      3.300     1.400     1.400 peak  1715 spectrum    1 weight  0.10000E+01 volume  0.15271E-02 ppm1      0.604 ppm2      2.049 CV     1
 ASSI { 1716}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 30   and name HG1 ))
      4.800     2.900     1.200 peak  1716 spectrum    1 weight  0.10000E+01 volume  0.38893E-03 ppm1      0.606 ppm2      1.808 CV     1
 ASSI { 1722}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 38   and name HB  ))
      4.600     2.600     1.400 peak  1722 spectrum    1 weight  0.10000E+01 volume  0.23233E-03 ppm1      0.598 ppm2      1.890 CV     1
 ASSI { 1730}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 26   and name HA  ))
      2.700     0.900     0.900 peak  1730 spectrum    1 weight  0.10000E+01 volume  0.12783E-02 ppm1      0.606 ppm2      3.547 CV     1
 ASSI { 1731}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 32   and name HB1 ))
      4.600     2.600     1.400 peak  1731 spectrum    1 weight  0.10000E+01 volume  0.33341E-03 ppm1      0.608 ppm2      3.191 CV     1
 OR { 1731}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 32   and name HB2 ))
 ASSI { 1733}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 25   and name HB1 ))
      4.600     2.600     1.400 peak  1733 spectrum    1 weight  0.10000E+01 volume  0.42254E-03 ppm1      0.601 ppm2      2.713 CV     1
 ASSI { 1736}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 32   and name HA  ))
      2.300     0.600     0.600 peak  1736 spectrum    1 weight  0.10000E+01 volume  0.37880E-02 ppm1      0.602 ppm2      4.086 CV     1
 ASSI { 1737}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 36   and name HN  ))
      4.000     2.000     2.000 peak  1737 spectrum    1 weight  0.10000E+01 volume  0.12283E-02 ppm1      0.600 ppm2      7.449 CV     1
 ASSI { 1738}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 37   and name HN  ))
      4.900     3.000     1.100 peak  1738 spectrum    1 weight  0.10000E+01 volume  0.40185E-03 ppm1      0.601 ppm2      7.328 CV     1
 ASSI { 1739}
   (  segid "    " and resid 36   and name HD1%)
   (  segid "    " and resid 32   and name HE% )
      3.100     1.200     1.200 peak  1739 spectrum    1 weight  0.10000E+01 volume  0.79393E-03 ppm1      0.602 ppm2      6.985 CV     1
 ASSI { 1740}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 27   and name HN  ))
      4.400     2.400     1.600 peak  1740 spectrum    1 weight  0.10000E+01 volume  0.46121E-03 ppm1      0.598 ppm2      6.346 CV     1
 ASSI { 1742}
   (  segid "    " and resid 36   and name HD1%)
   (  segid "    " and resid 32   and name HD% )
      2.600     0.800     0.800 peak  1742 spectrum    1 weight  0.10000E+01 volume  0.18150E-02 ppm1      0.601 ppm2      7.193 CV     1
 ASSI { 1747}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 32   and name HA  ))
      4.400     2.400     1.600 peak  1747 spectrum    1 weight  0.10000E+01 volume  0.78374E-03 ppm1      0.772 ppm2      4.085 CV     1
 ASSI { 1748}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 26   and name HA  ))
      2.500     0.800     0.800 peak  1748 spectrum    1 weight  0.10000E+01 volume  0.26405E-02 ppm1      0.774 ppm2      3.538 CV     1
 ASSI { 1749}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 35   and name HB1 ))
      2.900     1.100     1.100 peak  1749 spectrum    1 weight  0.10000E+01 volume  0.15205E-02 ppm1      0.774 ppm2      3.047 CV     1
 ASSI { 1750}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 25   and name HB1 ))
      2.400     0.700     0.700 peak  1750 spectrum    1 weight  0.10000E+01 volume  0.20048E-02 ppm1      0.774 ppm2      2.703 CV     1
 ASSI { 1751}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 30   and name HB1 ))
      2.400     0.700     0.700 peak  1751 spectrum    1 weight  0.10000E+01 volume  0.16148E-02 ppm1      0.773 ppm2      2.054 CV     1
 ASSI { 1753}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 30   and name HG1 ))
      2.900     1.000     1.000 peak  1753 spectrum    1 weight  0.10000E+01 volume  0.17263E-02 ppm1      0.774 ppm2      1.807 CV     1
 ASSI { 1754}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 25   and name HB2 ))
      3.900     1.900     1.900 peak  1754 spectrum    1 weight  0.10000E+01 volume  0.14447E-02 ppm1      0.775 ppm2      2.596 CV     1
 ASSI { 1756}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 36   and name HB2 ))
      2.700     0.900     0.900 peak  1756 spectrum    1 weight  0.10000E+01 volume  0.49282E-02 ppm1      0.774 ppm2      1.605 CV     1
 ASSI { 1759}
   (  segid "    " and resid 36   and name HD2%)
   (  segid "    " and resid 21   and name HG2%)
      2.400     0.700     0.700 peak  1759 spectrum    1 weight  0.10000E+01 volume  0.38116E-02 ppm1      0.774 ppm2      1.032 CV     1
 ASSI { 1762}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 27   and name HN  ))
      3.500     1.500     1.500 peak  1762 spectrum    1 weight  0.10000E+01 volume  0.87268E-03 ppm1      0.774 ppm2      6.349 CV     1
 ASSI { 1763}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 35   and name HA  ))
      3.500     1.500     1.500 peak  1763 spectrum    1 weight  0.10000E+01 volume  0.26483E-03 ppm1      0.775 ppm2      5.034 CV     1
 ASSI { 1767}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 36   and name HN  ))
      3.400     1.400     1.400 peak  1767 spectrum    1 weight  0.10000E+01 volume  0.13737E-02 ppm1      0.774 ppm2      7.455 CV     1
 ASSI { 1768}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 37   and name HN  ))
      3.200     1.300     1.300 peak  1768 spectrum    1 weight  0.10000E+01 volume  0.38811E-03 ppm1      0.776 ppm2      7.342 CV     1
 ASSI { 1769}
   (  segid "    " and resid 36   and name HD2%)
   (  segid "    " and resid 32   and name HD% )
      5.900     4.400     0.100 peak  1769 spectrum    1 weight  0.10000E+01 volume  0.17893E-03 ppm1      0.772 ppm2      7.185 CV     1
 ASSI { 1771}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 37   and name HN  ))
      3.200     1.200     1.200 peak  1771 spectrum    1 weight  0.10000E+01 volume  0.15454E-02 ppm1      2.464 ppm2      7.346 CV     1
 ASSI { 1773}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 38   and name HN  ))
      5.000     3.100     1.000 peak  1773 spectrum    1 weight  0.10000E+01 volume  0.32890E-03 ppm1      2.469 ppm2      8.080 CV     1
 ASSI { 1774}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 37   and name HB2 ))
      2.600     0.800     0.800 peak  1774 spectrum    1 weight  0.10000E+01 volume  0.48469E-02 ppm1      4.396 ppm2      2.462 CV     1
 ASSI { 1777}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 37   and name HA  ))
      2.900     1.100     1.100 peak  1777 spectrum    1 weight  0.10000E+01 volume  0.42936E-02 ppm1      3.090 ppm2      4.394 CV     1
 ASSI { 1779}
   (( segid "    " and resid 37   and name HB2 ))
   (  segid "    " and resid 19   and name HB% )
      5.400     3.600     0.600 peak  1779 spectrum    1 weight  0.10000E+01 volume  0.27995E-03 ppm1      2.463 ppm2      1.544 CV     1
 ASSI { 1780}
   (( segid "    " and resid 37   and name HB1 ))
   (  segid "    " and resid 19   and name HB% )
      4.400     2.400     1.600 peak  1780 spectrum    1 weight  0.10000E+01 volume  0.36889E-03 ppm1      3.097 ppm2      1.528 CV     1
 ASSI { 1782}
   (( segid "    " and resid 37   and name HB2 ))
   (  segid "    " and resid 38   and name HG2%)
      5.100     3.300     0.900 peak  1782 spectrum    1 weight  0.10000E+01 volume  0.39382E-03 ppm1      2.463 ppm2      0.940 CV     1
 OR { 1782}
   (( segid "    " and resid 37   and name HB2 ))
   (  segid "    " and resid 38   and name HG1%)
 ASSI { 1784}
   (( segid "    " and resid 37   and name HB1 ))
   (  segid "    " and resid 21   and name HD1%)
      3.100     1.200     1.200 peak  1784 spectrum    1 weight  0.10000E+01 volume  0.78803E-03 ppm1      3.091 ppm2      0.847 CV     1
 ASSI { 1785}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 32   and name HB1 ))
      2.700     0.900     0.900 peak  1785 spectrum    1 weight  0.10000E+01 volume  0.30561E-02 ppm1      1.894 ppm2      3.160 CV     1
 OR { 1785}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 32   and name HB2 ))
 ASSI { 1788}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 39   and name HN  ))
      4.300     2.300     1.700 peak  1788 spectrum    1 weight  0.10000E+01 volume  0.74035E-03 ppm1      1.894 ppm2      8.222 CV     1
 ASSI { 1790}
   (( segid "    " and resid 38   and name HB  ))
   (  segid "    " and resid 32   and name HD% )
      3.000     1.100     1.100 peak  1790 spectrum    1 weight  0.10000E+01 volume  0.84545E-03 ppm1      1.880 ppm2      7.191 CV     1
 ASSI { 1797}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HB  ))
      2.600     0.800     0.800 peak  1797 spectrum    1 weight  0.10000E+01 volume  0.25187E-02 ppm1      3.959 ppm2      1.893 CV     1
 ASSI { 1798}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
      2.000     0.500     0.500 peak  1798 spectrum    1 weight  0.10000E+01 volume  0.11657E-01 ppm1      3.959 ppm2      8.224 CV     1
 ASSI { 1799}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      2.600     0.800     0.800 peak  1799 spectrum    1 weight  0.10000E+01 volume  0.20516E-02 ppm1      3.956 ppm2      8.085 CV     1
 ASSI { 1800}
   (( segid "    " and resid 38   and name HB  ))
   (  segid "    " and resid 38   and name HG2%)
      2.000     0.500     0.500 peak  1800 spectrum    1 weight  0.10000E+01 volume  0.11620E-01 ppm1      1.894 ppm2      0.932 CV     1
 OR { 1800}
   (( segid "    " and resid 38   and name HB  ))
   (  segid "    " and resid 38   and name HG1%)
 ASSI { 1804}
   (  segid "    " and resid 38   and name HG1%)
   (( segid "    " and resid 19   and name HA  ))
      5.000     3.100     1.000 peak  1804 spectrum    1 weight  0.10000E+01 volume  0.27911E-03 ppm1      0.931 ppm2      4.821 CV     1
 OR { 1804}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 19   and name HA  ))
 ASSI { 1805}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 39   and name HA  ))
      6.000     4.800     0.000 peak  1805 spectrum    1 weight  0.10000E+01 volume  0.66653E-04 ppm1      0.927 ppm2      4.662 CV     1
 OR { 1805}
   (  segid "    " and resid 38   and name HG1%)
   (( segid "    " and resid 39   and name HA  ))
 ASSI { 1806}
   (  segid "    " and resid 38   and name HG1%)
   (( segid "    " and resid 39   and name HN  ))
      2.400     0.700     0.700 peak  1806 spectrum    1 weight  0.10000E+01 volume  0.37315E-02 ppm1      0.931 ppm2      8.224 CV     1
 OR { 1806}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 39   and name HN  ))
 ASSI { 1807}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 40   and name HN  ))
      4.000     4.000     2.000 peak  1807 spectrum    1 weight  0.10000E+01 volume  0.13207E-03 ppm1      0.929 ppm2      8.941 CV     1
 OR { 1807}
   (  segid "    " and resid 38   and name HG1%)
   (( segid "    " and resid 40   and name HN  ))
 ASSI { 1809}
   (  segid "    " and resid 38   and name HG1%)
   (( segid "    " and resid 19   and name HN  ))
      5.100     3.300     0.900 peak  1809 spectrum    1 weight  0.10000E+01 volume  0.29230E-03 ppm1      0.936 ppm2      8.528 CV     1
 OR { 1809}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 19   and name HN  ))
 ASSI { 1814}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 40   and name HN  ))
      3.400     1.500     1.500 peak  1814 spectrum    1 weight  0.10000E+01 volume  0.15423E-02 ppm1      2.768 ppm2      8.922 CV     1
 ASSI { 1815}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
      2.900     1.000     1.000 peak  1815 spectrum    1 weight  0.10000E+01 volume  0.21806E-02 ppm1      4.659 ppm2      8.226 CV     1
 ASSI { 1818}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 40   and name HA  ))
      5.000     3.200     1.000 peak  1818 spectrum    1 weight  0.10000E+01 volume  0.35210E-03 ppm1      2.768 ppm2      4.152 CV     1
 OR { 1818}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 40   and name HB1 ))
 OR { 1818}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 40   and name HB2 ))
 ASSI { 1824}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HB2 ))
      2.700     0.900     0.900 peak  1824 spectrum    1 weight  0.10000E+01 volume  0.61747E-02 ppm1      4.660 ppm2      2.764 CV     1
 ASSI { 1827}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 38   and name HA  ))
      4.300     2.300     1.700 peak  1827 spectrum    1 weight  0.10000E+01 volume  0.56458E-03 ppm1      4.659 ppm2      3.962 CV     1
 ASSI { 1830}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      2.600     0.800     0.800 peak  1830 spectrum    1 weight  0.10000E+01 volume  0.42131E-02 ppm1      4.660 ppm2      8.920 CV     1
 ASSI { 1831}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      2.500     0.800     0.800 peak  1831 spectrum    1 weight  0.10000E+01 volume  0.23573E-02 ppm1      4.147 ppm2      8.920 CV     1
 ASSI { 1837}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name H36A))
      5.200     3.300     0.800 peak  1837 spectrum    1 weight  0.10000E+01 volume  0.22865E-03 ppm1      4.144 ppm2      8.005 CV     1
 OR { 1837}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 40   and name H36A))
 ASSI { 1838}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 40   and name HN  ))
      3.000     1.200     1.200 peak  1838 spectrum    1 weight  0.10000E+01 volume  0.25871E-02 ppm1      4.147 ppm2      8.921 CV     1
 OR { 1838}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HN  ))
 ASSI { 1839}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 44   and name HN  ))
      4.800     2.800     1.200 peak  1839 spectrum    1 weight  0.10000E+01 volume  0.21295E-03 ppm1      4.146 ppm2      7.275 CV     1
 ASSI { 1841}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 43   and name HB1 ))
      3.300     1.400     1.400 peak  1841 spectrum    1 weight  0.10000E+01 volume  0.27550E-02 ppm1      4.146 ppm2      2.021 CV     1
 ASSI { 1842}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 43   and name HB2 ))
      2.500     0.800     0.800 peak  1842 spectrum    1 weight  0.10000E+01 volume  0.24675E-02 ppm1      4.145 ppm2      1.957 CV     1
 ASSI { 1844}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name H28B))
      3.900     1.900     1.900 peak  1844 spectrum    1 weight  0.10000E+01 volume  0.70778E-03 ppm1      4.147 ppm2      3.442 CV     1
 OR { 1844}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name H37B))
 ASSI { 1846}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 39   and name HB1 ))
      4.900     3.000     1.100 peak  1846 spectrum    1 weight  0.10000E+01 volume  0.44378E-03 ppm1      4.144 ppm2      3.099 CV     1
 ASSI { 1847}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name H28A))
      3.500     1.500     1.500 peak  1847 spectrum    1 weight  0.10000E+01 volume  0.10290E-02 ppm1      4.144 ppm2      3.724 CV     1
 ASSI { 1849}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name H28A))
      3.500     1.600     1.600 peak  1849 spectrum    1 weight  0.10000E+01 volume  0.78863E-03 ppm1      4.145 ppm2      3.734 CV     1
 OR { 1849}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 40   and name H28A))
 ASSI { 1850}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name H28B))
      3.300     1.300     1.300 peak  1850 spectrum    1 weight  0.10000E+01 volume  0.16788E-02 ppm1      4.148 ppm2      3.437 CV     1
 OR { 1850}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 40   and name H28B))
 ASSI { 1851}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 39   and name HB1 ))
      4.700     2.800     1.300 peak  1851 spectrum    1 weight  0.10000E+01 volume  0.28291E-03 ppm1      4.138 ppm2      3.090 CV     1
 OR { 1851}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 39   and name HB1 ))
 ASSI { 1855}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 43   and name HB1 ))
      4.600     2.700     1.400 peak  1855 spectrum    1 weight  0.10000E+01 volume  0.66713E-03 ppm1      4.152 ppm2      2.009 CV     1
 OR { 1855}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 43   and name HB1 ))
 ASSI { 1856}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 43   and name HB2 ))
      4.100     2.100     1.900 peak  1856 spectrum    1 weight  0.10000E+01 volume  0.73350E-03 ppm1      4.139 ppm2      1.955 CV     1
 OR { 1856}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 43   and name HB2 ))
 ASSI { 1857}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 41   and name HG  ))
      4.100     2.100     1.900 peak  1857 spectrum    1 weight  0.10000E+01 volume  0.39502E-03 ppm1      4.143 ppm2      1.710 CV     1
 OR { 1857}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 41   and name HG  ))
 ASSI { 1862}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 39   and name HA  ))
      4.800     2.800     1.200 peak  1862 spectrum    1 weight  0.10000E+01 volume  0.47290E-03 ppm1      4.145 ppm2      4.659 CV     1
 ASSI { 1866}
   (( segid "    " and resid 41   and name HB1 ))
   (( segid "    " and resid 42   and name HN  ))
      3.600     1.600     1.600 peak  1866 spectrum    1 weight  0.10000E+01 volume  0.18244E-02 ppm1      1.882 ppm2      8.394 CV     1
 ASSI { 1867}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 42   and name HN  ))
      3.100     1.200     1.200 peak  1867 spectrum    1 weight  0.10000E+01 volume  0.12455E-02 ppm1      1.635 ppm2      8.397 CV     1
 ASSI { 1869}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 41   and name HN  ))
      2.600     0.800     0.800 peak  1869 spectrum    1 weight  0.10000E+01 volume  0.25663E-02 ppm1      1.634 ppm2      8.107 CV     1
 ASSI { 1870}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 42   and name HN  ))
      3.300     1.400     1.400 peak  1870 spectrum    1 weight  0.10000E+01 volume  0.12980E-02 ppm1      4.293 ppm2      8.385 CV     1
 ASSI { 1871}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HN  ))
      2.700     0.900     0.900 peak  1871 spectrum    1 weight  0.10000E+01 volume  0.32584E-02 ppm1      4.293 ppm2      8.108 CV     1
 ASSI { 1872}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 44   and name HN  ))
      3.400     1.400     1.400 peak  1872 spectrum    1 weight  0.10000E+01 volume  0.12214E-02 ppm1      4.293 ppm2      7.267 CV     1
 ASSI { 1873}
   (( segid "    " and resid 41   and name HB1 ))
   (( segid "    " and resid 41   and name HA  ))
      2.600     0.800     0.800 peak  1873 spectrum    1 weight  0.10000E+01 volume  0.30724E-02 ppm1      1.880 ppm2      4.292 CV     1
 ASSI { 1875}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 40   and name H28B))
      4.300     2.300     1.700 peak  1875 spectrum    1 weight  0.10000E+01 volume  0.66324E-03 ppm1      4.294 ppm2      3.437 CV     1
 ASSI { 1878}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HG  ))
      3.000     1.100     1.100 peak  1878 spectrum    1 weight  0.10000E+01 volume  0.18280E-02 ppm1      4.293 ppm2      1.733 CV     1
 ASSI { 1879}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HB2 ))
      2.700     0.900     0.900 peak  1879 spectrum    1 weight  0.10000E+01 volume  0.53603E-02 ppm1      4.293 ppm2      1.633 CV     1
 ASSI { 1884}
   (( segid "    " and resid 41   and name HG  ))
   (( segid "    " and resid 41   and name HB1 ))
      2.600     0.800     0.800 peak  1884 spectrum    1 weight  0.10000E+01 volume  0.61190E-02 ppm1      1.726 ppm2      1.868 CV     1
 ASSI { 1885}
   (( segid "    " and resid 41   and name HG  ))
   (( segid "    " and resid 41   and name HN  ))
      2.700     0.900     0.900 peak  1885 spectrum    1 weight  0.10000E+01 volume  0.22831E-02 ppm1      1.726 ppm2      8.112 CV     1
 ASSI { 1887}
   (  segid "    " and resid 41   and name HD2%)
   (( segid "    " and resid 41   and name HG  ))
      3.400     1.400     1.400 peak  1887 spectrum    1 weight  0.10000E+01 volume  0.84641E-03 ppm1      0.971 ppm2      1.730 CV     1
 ASSI { 1888}
   (  segid "    " and resid 41   and name HD2%)
   (( segid "    " and resid 41   and name HG  ))
      3.200     1.200     1.200 peak  1888 spectrum    1 weight  0.10000E+01 volume  0.16397E-02 ppm1      0.970 ppm2      1.683 CV     1
 OR { 1888}
   (  segid "    " and resid 41   and name HD2%)
   (( segid "    " and resid 41   and name HB2 ))
 ASSI { 1889}
   (  segid "    " and resid 41   and name HD2%)
   (( segid "    " and resid 41   and name HB2 ))
      3.700     1.700     1.700 peak  1889 spectrum    1 weight  0.10000E+01 volume  0.20309E-02 ppm1      0.966 ppm2      1.635 CV     1
 ASSI { 1890}
   (  segid "    " and resid 41   and name HD2%)
   (( segid "    " and resid 41   and name HB1 ))
      2.700     0.900     0.900 peak  1890 spectrum    1 weight  0.10000E+01 volume  0.26179E-02 ppm1      0.969 ppm2      1.885 CV     1
 ASSI { 1892}
   (  segid "    " and resid 41   and name HD2%)
   (( segid "    " and resid 41   and name HA  ))
      3.300     1.400     1.400 peak  1892 spectrum    1 weight  0.10000E+01 volume  0.14388E-02 ppm1      0.970 ppm2      4.290 CV     1
 ASSI { 1893}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 41   and name HA  ))
      3.200     1.300     1.300 peak  1893 spectrum    1 weight  0.10000E+01 volume  0.74217E-02 ppm1      0.906 ppm2      4.291 CV     1
 ASSI { 1896}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 40   and name HB1 ))
      3.000     1.100     1.100 peak  1896 spectrum    1 weight  0.10000E+01 volume  0.58851E-03 ppm1      0.906 ppm2      4.115 CV     1
 OR { 1896}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 40   and name HB2 ))
 OR { 1896}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 40   and name HA  ))
 ASSI { 1897}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 40   and name H28B))
      2.600     2.600     3.400 peak  1897 spectrum    1 weight  0.10000E+01 volume  0.13231E-02 ppm1      0.905 ppm2      3.434 CV     1
 ASSI { 1900}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 47   and name HA  ))
      2.300     0.700     0.700 peak  1900 spectrum    1 weight  0.10000E+01 volume  0.67950E-02 ppm1      0.907 ppm2      3.286 CV     1
 ASSI { 1905}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 41   and name HB1 ))
      3.700     1.700     1.700 peak  1905 spectrum    1 weight  0.10000E+01 volume  0.12034E-02 ppm1      0.904 ppm2      1.873 CV     1
 ASSI { 1908}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 47   and name HN  ))
      2.400     0.700     0.700 peak  1908 spectrum    1 weight  0.10000E+01 volume  0.72075E-02 ppm1      0.908 ppm2      7.998 CV     1
 ASSI { 1911}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 44   and name HN  ))
      3.500     1.500     1.500 peak  1911 spectrum    1 weight  0.10000E+01 volume  0.57358E-03 ppm1      4.294 ppm2      7.274 CV     1
 ASSI { 1912}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
      3.000     1.100     1.100 peak  1912 spectrum    1 weight  0.10000E+01 volume  0.13908E-02 ppm1      4.292 ppm2      6.987 CV     1
 ASSI { 1916}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 42   and name HN  ))
      2.800     1.000     1.000 peak  1916 spectrum    1 weight  0.10000E+01 volume  0.19708E-02 ppm1      3.670 ppm2      8.388 CV     1
 ASSI { 1917}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 39   and name HN  ))
      3.800     1.800     1.800 peak  1917 spectrum    1 weight  0.10000E+01 volume  0.63437E-03 ppm1      3.670 ppm2      8.224 CV     1
 ASSI { 1918}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HB1 ))
      2.300     0.700     0.700 peak  1918 spectrum    1 weight  0.10000E+01 volume  0.44990E-02 ppm1      4.293 ppm2      3.992 CV     1
 ASSI { 1919}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HB2 ))
      2.800     1.000     1.000 peak  1919 spectrum    1 weight  0.10000E+01 volume  0.27649E-02 ppm1      4.292 ppm2      3.667 CV     1
 ASSI { 1923}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 42   and name HB2 ))
      1.600     0.300     0.600 peak  1923 spectrum    1 weight  0.10000E+01 volume  0.12089E-01 ppm1      3.983 ppm2      3.667 CV     1
 ASSI { 1924}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 45   and name HG1 ))
      3.500     1.500     1.500 peak  1924 spectrum    1 weight  0.10000E+01 volume  0.11430E-02 ppm1      4.293 ppm2      2.448 CV     1
 ASSI { 1930}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 18   and name HB  ))
      4.200     2.200     1.800 peak  1930 spectrum    1 weight  0.10000E+01 volume  0.33580E-03 ppm1      3.666 ppm2      1.636 CV     1
 OR { 1930}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 18   and name HG11))
 ASSI { 1931}
   (( segid "    " and resid 42   and name HB2 ))
   (  segid "    " and resid 19   and name HB% )
      3.300     1.400     1.400 peak  1931 spectrum    1 weight  0.10000E+01 volume  0.74290E-03 ppm1      3.668 ppm2      1.540 CV     1
 ASSI { 1938}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
      2.500     0.800     0.800 peak  1938 spectrum    1 weight  0.10000E+01 volume  0.34038E-02 ppm1      3.976 ppm2      8.369 CV     1
 ASSI { 1940}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      2.900     1.000     1.000 peak  1940 spectrum    1 weight  0.10000E+01 volume  0.25738E-02 ppm1      3.976 ppm2      8.082 CV     1
 ASSI { 1941}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      3.700     1.700     1.700 peak  1941 spectrum    1 weight  0.10000E+01 volume  0.94279E-03 ppm1      3.975 ppm2      8.002 CV     1
 ASSI { 1942}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 44   and name HN  ))
      3.100     1.200     1.200 peak  1942 spectrum    1 weight  0.10000E+01 volume  0.12642E-02 ppm1      3.975 ppm2      7.264 CV     1
 ASSI { 1943}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
      4.100     2.100     1.900 peak  1943 spectrum    1 weight  0.10000E+01 volume  0.63223E-03 ppm1      3.975 ppm2      6.992 CV     1
 ASSI { 1953}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 46   and name HA  ))
      4.700     2.700     1.300 peak  1953 spectrum    1 weight  0.10000E+01 volume  0.64584E-03 ppm1      3.978 ppm2      3.426 CV     1
 ASSI { 1954}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HB1 ))
      2.500     0.800     0.800 peak  1954 spectrum    1 weight  0.10000E+01 volume  0.39201E-02 ppm1      3.975 ppm2      2.024 CV     1
 ASSI { 1955}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HB2 ))
      2.400     0.700     0.700 peak  1955 spectrum    1 weight  0.10000E+01 volume  0.39022E-02 ppm1      3.976 ppm2      1.949 CV     1
 ASSI { 1958}
   (( segid "    " and resid 43   and name HB1 ))
   (  segid "    " and resid 43   and name HE% )
      4.100     2.100     1.900 peak  1958 spectrum    1 weight  0.10000E+01 volume  0.12931E-02 ppm1      2.025 ppm2      1.446 CV     1
 ASSI { 1959}
   (( segid "    " and resid 43   and name HB2 ))
   (  segid "    " and resid 43   and name HE% )
      2.800     1.000     1.000 peak  1959 spectrum    1 weight  0.10000E+01 volume  0.12358E-02 ppm1      1.943 ppm2      1.447 CV     1
 ASSI { 1962}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 44   and name HG2%)
      5.100     3.200     0.900 peak  1962 spectrum    1 weight  0.10000E+01 volume  0.34139E-03 ppm1      3.971 ppm2      1.112 CV     1
 ASSI { 1966}
   (( segid "    " and resid 43   and name HG1 ))
   (( segid "    " and resid 43   and name HN  ))
      4.000     2.000     2.000 peak  1966 spectrum    1 weight  0.10000E+01 volume  0.16525E-02 ppm1      2.294 ppm2      8.368 CV     1
 OR { 1966}
   (( segid "    " and resid 43   and name HG2 ))
   (( segid "    " and resid 43   and name HN  ))
 ASSI { 1968}
   (( segid "    " and resid 46   and name HB  ))
   (( segid "    " and resid 47   and name HN  ))
      2.600     0.800     0.800 peak  1968 spectrum    1 weight  0.10000E+01 volume  0.35018E-02 ppm1      2.296 ppm2      7.994 CV     1
 ASSI { 1975}
   (( segid "    " and resid 44   and name HB  ))
   (( segid "    " and resid 44   and name HN  ))
      2.400     0.700     0.700 peak  1975 spectrum    1 weight  0.10000E+01 volume  0.60601E-02 ppm1      2.218 ppm2      7.267 CV     1
 ASSI { 1977}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HN  ))
      2.600     0.800     0.800 peak  1977 spectrum    1 weight  0.10000E+01 volume  0.36809E-02 ppm1      3.581 ppm2      7.269 CV     1
 ASSI { 1978}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 44   and name HA  ))
      2.300     0.700     0.700 peak  1978 spectrum    1 weight  0.10000E+01 volume  0.79384E-02 ppm1      1.122 ppm2      3.582 CV     1
 ASSI { 1979}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 40   and name H37B))
      4.200     2.200     1.800 peak  1979 spectrum    1 weight  0.10000E+01 volume  0.58331E-03 ppm1      1.122 ppm2      3.451 CV     1
 OR { 1979}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 40   and name H37A))
 ASSI { 1980}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 42   and name HA  ))
      3.100     3.100     2.900 peak  1980 spectrum    1 weight  0.10000E+01 volume  0.35939E-02 ppm1      1.121 ppm2      4.289 CV     1
 ASSI { 1983}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 44   and name HN  ))
      2.100     0.600     0.600 peak  1983 spectrum    1 weight  0.10000E+01 volume  0.83536E-02 ppm1      1.121 ppm2      7.268 CV     1
 ASSI { 1986}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 45   and name HN  ))
      3.900     1.900     1.900 peak  1986 spectrum    1 weight  0.10000E+01 volume  0.17460E-02 ppm1      1.121 ppm2      6.987 CV     1
 ASSI { 1987}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 43   and name HN  ))
      4.200     2.200     1.800 peak  1987 spectrum    1 weight  0.10000E+01 volume  0.59262E-03 ppm1      1.124 ppm2      8.378 CV     1
 ASSI { 1991}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 48   and name HN  ))
      2.300     0.600     0.600 peak  1991 spectrum    1 weight  0.10000E+01 volume  0.97504E-02 ppm1      1.115 ppm2      7.899 CV     1
 ASSI { 1993}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 52   and name HN  ))
      4.700     2.700     1.300 peak  1993 spectrum    1 weight  0.10000E+01 volume  0.54553E-03 ppm1      1.117 ppm2      7.713 CV     1
 ASSI { 1996}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 48   and name HA  ))
      2.300     0.700     0.700 peak  1996 spectrum    1 weight  0.10000E+01 volume  0.85673E-02 ppm1      1.115 ppm2      3.956 CV     1
 ASSI { 2001}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
      3.200     1.200     1.200 peak  2001 spectrum    1 weight  0.10000E+01 volume  0.13522E-02 ppm1      3.580 ppm2      6.993 CV     1
 ASSI { 2002}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
      5.000     3.100     1.000 peak  2002 spectrum    1 weight  0.10000E+01 volume  0.23242E-03 ppm1      3.578 ppm2      8.365 CV     1
 ASSI { 2004}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 44   and name HB  ))
      2.100     0.600     0.600 peak  2004 spectrum    1 weight  0.10000E+01 volume  0.11909E-01 ppm1      1.121 ppm2      2.219 CV     1
 ASSI { 2005}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 43   and name HB2 ))
      4.300     2.400     1.700 peak  2005 spectrum    1 weight  0.10000E+01 volume  0.38563E-03 ppm1      1.117 ppm2      1.973 CV     1
 OR { 2005}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 43   and name HB1 ))
 ASSI { 2008}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 44   and name HN  ))
      4.100     2.100     1.900 peak  2008 spectrum    1 weight  0.10000E+01 volume  0.19904E-02 ppm1      0.972 ppm2      7.263 CV     1
 ASSI { 2011}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
      2.700     0.900     0.900 peak  2011 spectrum    1 weight  0.10000E+01 volume  0.32814E-02 ppm1      4.063 ppm2      6.990 CV     1
 ASSI { 2013}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HN  ))
      2.500     0.800     0.800 peak  2013 spectrum    1 weight  0.10000E+01 volume  0.21144E-02 ppm1      2.159 ppm2      6.989 CV     1
 ASSI { 2016}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 44   and name HA  ))
      4.500     2.500     1.500 peak  2016 spectrum    1 weight  0.10000E+01 volume  0.26609E-03 ppm1      4.072 ppm2      3.586 CV     1
 ASSI { 2017}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HG1 ))
      3.600     1.600     1.600 peak  2017 spectrum    1 weight  0.10000E+01 volume  0.18556E-02 ppm1      4.064 ppm2      2.443 CV     1
 ASSI { 2019}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HB2 ))
      2.600     0.900     0.900 peak  2019 spectrum    1 weight  0.10000E+01 volume  0.61638E-02 ppm1      4.061 ppm2      2.161 CV     1
 ASSI { 2020}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 48   and name HB  ))
      2.600     0.800     0.800 peak  2020 spectrum    1 weight  0.10000E+01 volume  0.44014E-02 ppm1      4.061 ppm2      2.060 CV     1
 ASSI { 2026}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 18   and name HD1%)
      2.200     0.600     0.600 peak  2026 spectrum    1 weight  0.10000E+01 volume  0.26248E-02 ppm1      2.157 ppm2      0.780 CV     1
 ASSI { 2035}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      3.400     1.400     1.400 peak  2035 spectrum    1 weight  0.10000E+01 volume  0.12140E-02 ppm1      4.056 ppm2      8.086 CV     1
 ASSI { 2037}
   (( segid "    " and resid 45   and name HG1 ))
   (( segid "    " and resid 45   and name HN  ))
      3.000     1.100     1.100 peak  2037 spectrum    1 weight  0.10000E+01 volume  0.26681E-02 ppm1      2.452 ppm2      6.989 CV     1
 ASSI { 2038}
   (( segid "    " and resid 45   and name HG2 ))
   (( segid "    " and resid 45   and name HN  ))
      2.900     1.000     1.000 peak  2038 spectrum    1 weight  0.10000E+01 volume  0.28414E-02 ppm1      2.282 ppm2      6.990 CV     1
 ASSI { 2039}
   (( segid "    " and resid 45   and name HG1 ))
   (( segid "    " and resid 44   and name HN  ))
      5.200     3.400     0.800 peak  2039 spectrum    1 weight  0.10000E+01 volume  0.25671E-03 ppm1      2.447 ppm2      7.265 CV     1
 ASSI { 2040}
   (( segid "    " and resid 45   and name HG2 ))
   (( segid "    " and resid 44   and name HN  ))
      5.200     3.400     0.800 peak  2040 spectrum    1 weight  0.10000E+01 volume  0.24619E-03 ppm1      2.284 ppm2      7.268 CV     1
 ASSI { 2041}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 44   and name HN  ))
      5.200     3.300     0.800 peak  2041 spectrum    1 weight  0.10000E+01 volume  0.29653E-03 ppm1      4.062 ppm2      7.278 CV     1
 ASSI { 2042}
   (( segid "    " and resid 52   and name HG1 ))
   (( segid "    " and resid 52   and name HN  ))
      4.000     2.000     2.000 peak  2042 spectrum    1 weight  0.10000E+01 volume  0.13598E-02 ppm1      2.442 ppm2      7.726 CV     1
 ASSI { 2052}
   (( segid "    " and resid 52   and name HG1 ))
   (( segid "    " and resid 52   and name HB2 ))
      2.800     1.000     1.000 peak  2052 spectrum    1 weight  0.10000E+01 volume  0.39758E-02 ppm1      2.441 ppm2      2.044 CV     1
 ASSI { 2062}
   (( segid "    " and resid 47   and name HB  ))
   (( segid "    " and resid 47   and name HA  ))
      3.000     1.100     1.100 peak  2062 spectrum    1 weight  0.10000E+01 volume  0.20724E-02 ppm1      2.223 ppm2      3.292 CV     1
 ASSI { 2063}
   (( segid "    " and resid 47   and name HB  ))
   (( segid "    " and resid 47   and name HN  ))
      2.200     0.600     0.600 peak  2063 spectrum    1 weight  0.10000E+01 volume  0.59975E-02 ppm1      2.222 ppm2      7.998 CV     1
 ASSI { 2064}
   (( segid "    " and resid 47   and name HB  ))
   (( segid "    " and resid 48   and name HN  ))
      2.300     0.700     0.700 peak  2064 spectrum    1 weight  0.10000E+01 volume  0.38978E-02 ppm1      2.222 ppm2      7.896 CV     1
 ASSI { 2067}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 49   and name HB% )
      2.400     0.700     0.700 peak  2067 spectrum    1 weight  0.10000E+01 volume  0.41254E-02 ppm1      3.426 ppm2      1.530 CV     1
 ASSI { 2071}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 14   and name HG2%)
      2.000     0.500     0.500 peak  2071 spectrum    1 weight  0.10000E+01 volume  0.68302E-02 ppm1      3.426 ppm2      1.068 CV     1
 OR { 2071}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 14   and name HG12))
 ASSI { 2078}
   (( segid "    " and resid 46   and name HB  ))
   (( segid "    " and resid 47   and name HA  ))
      3.900     1.900     1.900 peak  2078 spectrum    1 weight  0.10000E+01 volume  0.50022E-03 ppm1      2.299 ppm2      3.299 CV     1
 ASSI { 2079}
   (( segid "    " and resid 46   and name HB  ))
   (( segid "    " and resid 45   and name HN  ))
      4.900     3.000     1.100 peak  2079 spectrum    1 weight  0.10000E+01 volume  0.43124E-03 ppm1      2.293 ppm2      6.990 CV     1
 ASSI { 2081}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      2.400     0.700     0.700 peak  2081 spectrum    1 weight  0.10000E+01 volume  0.33963E-02 ppm1      3.430 ppm2      8.081 CV     1
 ASSI { 2084}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 46   and name HA  ))
      2.300     0.700     0.700 peak  2084 spectrum    1 weight  0.10000E+01 volume  0.58554E-02 ppm1      0.671 ppm2      3.424 CV     1
 ASSI { 2087}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 47   and name HA  ))
      5.300     3.500     0.700 peak  2087 spectrum    1 weight  0.10000E+01 volume  0.24991E-03 ppm1      0.982 ppm2      3.306 CV     1
 ASSI { 2088}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 47   and name HA  ))
      3.300     1.300     1.300 peak  2088 spectrum    1 weight  0.10000E+01 volume  0.11773E-02 ppm1      0.673 ppm2      3.296 CV     1
 ASSI { 2089}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 46   and name HN  ))
      3.700     1.700     1.700 peak  2089 spectrum    1 weight  0.10000E+01 volume  0.18032E-02 ppm1      0.671 ppm2      8.077 CV     1
 ASSI { 2090}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 47   and name HN  ))
      3.300     1.400     1.400 peak  2090 spectrum    1 weight  0.10000E+01 volume  0.16669E-02 ppm1      0.670 ppm2      8.000 CV     1
 ASSI { 2096}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 47   and name HN  ))
      4.000     2.000     2.000 peak  2096 spectrum    1 weight  0.10000E+01 volume  0.11881E-02 ppm1      0.982 ppm2      7.984 CV     1
 ASSI { 2108}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      2.700     0.900     0.900 peak  2108 spectrum    1 weight  0.10000E+01 volume  0.29323E-02 ppm1      3.293 ppm2      8.002 CV     1
 ASSI { 2116}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 14   and name HD1%)
      4.900     3.000     1.100 peak  2116 spectrum    1 weight  0.10000E+01 volume  0.23697E-03 ppm1      3.297 ppm2      0.751 CV     1
 ASSI { 2119}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 47   and name HB  ))
      2.100     0.500     0.500 peak  2119 spectrum    1 weight  0.10000E+01 volume  0.10607E-01 ppm1      0.869 ppm2      2.220 CV     1
 ASSI { 2125}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 57   and name HG1 ))
      5.400     3.600     0.600 peak  2125 spectrum    1 weight  0.10000E+01 volume  0.13664E-03 ppm1      0.869 ppm2      1.381 CV     1
 OR { 2125}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 57   and name HG2 ))
 ASSI { 2126}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 51   and name HG1 ))
      2.500     0.800     0.800 peak  2126 spectrum    1 weight  0.10000E+01 volume  0.28489E-02 ppm1      0.869 ppm2      2.825 CV     1
 ASSI { 2127}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 47   and name HA  ))
      2.400     0.700     0.700 peak  2127 spectrum    1 weight  0.10000E+01 volume  0.63922E-02 ppm1      0.869 ppm2      3.294 CV     1
 ASSI { 2130}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 48   and name HA  ))
      3.200     1.200     1.200 peak  2130 spectrum    1 weight  0.10000E+01 volume  0.14595E-02 ppm1      0.868 ppm2      3.952 CV     1
 ASSI { 2131}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 44   and name HA  ))
      4.400     2.400     1.600 peak  2131 spectrum    1 weight  0.10000E+01 volume  0.60528E-03 ppm1      0.871 ppm2      3.573 CV     1
 ASSI { 2132}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 58   and name HA  ))
      5.800     4.200     0.200 peak  2132 spectrum    1 weight  0.10000E+01 volume  0.71148E-04 ppm1      0.866 ppm2      4.536 CV     1
 ASSI { 2134}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 47   and name HN  ))
      3.900     1.900     1.900 peak  2134 spectrum    1 weight  0.10000E+01 volume  0.18331E-02 ppm1      0.869 ppm2      7.998 CV     1
 ASSI { 2137}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 63   and name HN  ))
      3.100     1.200     1.200 peak  2137 spectrum    1 weight  0.10000E+01 volume  0.42810E-02 ppm1      0.903 ppm2      7.585 CV     1
 ASSI { 2146}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 47   and name HG1%)
      3.100     1.200     1.200 peak  2146 spectrum    1 weight  0.10000E+01 volume  0.19764E-02 ppm1      3.952 ppm2      0.873 CV     1
 OR { 2146}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 47   and name HG2%)
 ASSI { 2147}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 47   and name HA  ))
      4.500     2.500     1.500 peak  2147 spectrum    1 weight  0.10000E+01 volume  0.36626E-03 ppm1      3.956 ppm2      3.286 CV     1
 ASSI { 2148}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 51   and name HG1 ))
      3.100     1.200     1.200 peak  2148 spectrum    1 weight  0.10000E+01 volume  0.14833E-02 ppm1      3.953 ppm2      2.820 CV     1
 ASSI { 2149}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 51   and name HB1 ))
      3.500     1.600     1.600 peak  2149 spectrum    1 weight  0.10000E+01 volume  0.35863E-02 ppm1      3.952 ppm2      2.476 CV     1
 ASSI { 2150}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 51   and name HG2 ))
      3.900     1.900     1.900 peak  2150 spectrum    1 weight  0.10000E+01 volume  0.11338E-02 ppm1      3.953 ppm2      2.300 CV     1
 ASSI { 2159}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      5.100     3.200     0.900 peak  2159 spectrum    1 weight  0.10000E+01 volume  0.37676E-03 ppm1      3.959 ppm2      8.005 CV     1
 ASSI { 2161}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      3.800     1.800     1.800 peak  2161 spectrum    1 weight  0.10000E+01 volume  0.81384E-03 ppm1      3.949 ppm2      7.727 CV     1
 ASSI { 2164}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 40   and name H38A))
      3.700     3.700     2.300 peak  2164 spectrum    1 weight  0.10000E+01 volume  0.13990E-02 ppm1      1.117 ppm2      2.455 CV     1
 OR { 2164}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 40   and name H38B))
 ASSI { 2166}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 48   and name HB  ))
      2.200     0.600     0.600 peak  2166 spectrum    1 weight  0.10000E+01 volume  0.99665E-02 ppm1      1.115 ppm2      2.060 CV     1
 ASSI { 2168}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 50   and name HN  ))
      5.700     4.000     0.300 peak  2168 spectrum    1 weight  0.10000E+01 volume  0.26191E-03 ppm1      1.117 ppm2      8.807 CV     1
 ASSI { 2169}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 40   and name H43B))
      4.600     2.700     1.400 peak  2169 spectrum    1 weight  0.10000E+01 volume  0.45019E-03 ppm1      1.120 ppm2      2.812 CV     1
 OR { 2169}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 40   and name H43A))
 ASSI { 2171}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 53   and name HN  ))
      3.800     1.800     1.800 peak  2171 spectrum    1 weight  0.10000E+01 volume  0.83042E-03 ppm1      1.533 ppm2      8.188 CV     1
 ASSI { 2173}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 47   and name HN  ))
      4.000     2.000     2.000 peak  2173 spectrum    1 weight  0.10000E+01 volume  0.70042E-03 ppm1      1.533 ppm2      8.025 CV     1
 ASSI { 2174}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 49   and name HN  ))
      2.100     0.600     0.600 peak  2174 spectrum    1 weight  0.10000E+01 volume  0.10682E-01 ppm1      1.533 ppm2      7.904 CV     1
 ASSI { 2175}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 50   and name HN  ))
      2.600     0.800     0.800 peak  2175 spectrum    1 weight  0.10000E+01 volume  0.48624E-02 ppm1      1.532 ppm2      8.812 CV     1
 ASSI { 2177}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 49   and name HA  ))
      2.100     0.600     0.600 peak  2177 spectrum    1 weight  0.10000E+01 volume  0.12731E-01 ppm1      1.533 ppm2      4.242 CV     1
 ASSI { 2183}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 47   and name HA  ))
      5.000     3.200     1.000 peak  2183 spectrum    1 weight  0.10000E+01 volume  0.25565E-03 ppm1      1.535 ppm2      3.299 CV     1
 ASSI { 2186}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 14   and name HG11))
      4.200     2.200     1.800 peak  2186 spectrum    1 weight  0.10000E+01 volume  0.15237E-02 ppm1      1.532 ppm2      1.988 CV     1
 ASSI { 2187}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 14   and name HG2%)
      2.100     0.500     0.500 peak  2187 spectrum    1 weight  0.10000E+01 volume  0.13183E-01 ppm1      1.533 ppm2      1.064 CV     1
 OR { 2187}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 14   and name HG12))
 ASSI { 2190}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 14   and name HD1%)
      2.200     0.600     0.600 peak  2190 spectrum    1 weight  0.10000E+01 volume  0.86153E-02 ppm1      1.533 ppm2      0.761 CV     1
 ASSI { 2193}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 50   and name HN  ))
      2.100     0.600     0.600 peak  2193 spectrum    1 weight  0.10000E+01 volume  0.87249E-02 ppm1      1.499 ppm2      8.819 CV     1
 ASSI { 2197}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 53   and name HB1 ))
      3.800     1.800     1.800 peak  2197 spectrum    1 weight  0.10000E+01 volume  0.18722E-02 ppm1      3.963 ppm2      1.612 CV     1
 ASSI { 2198}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 50   and name HB% )
      2.000     0.500     0.500 peak  2198 spectrum    1 weight  0.10000E+01 volume  0.95261E-02 ppm1      3.964 ppm2      1.500 CV     1
 ASSI { 2202}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 14   and name HD1%)
      2.300     0.700     0.700 peak  2202 spectrum    1 weight  0.10000E+01 volume  0.52511E-02 ppm1      3.969 ppm2      0.749 CV     1
 ASSI { 2203}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 53   and name HG2 ))
      2.600     0.800     0.800 peak  2203 spectrum    1 weight  0.10000E+01 volume  0.73943E-03 ppm1      3.962 ppm2      0.641 CV     1
 ASSI { 2208}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 40   and name H5A ))
      3.900     1.900     1.900 peak  2208 spectrum    1 weight  0.10000E+01 volume  0.16468E-02 ppm1      1.496 ppm2      0.972 CV     1
 OR { 2208}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 40   and name H5B ))
 ASSI { 2211}
   (  segid "    " and resid 50   and name HB% )
   (  segid "    " and resid 40   and name H6% )
      2.700     0.900     0.900 peak  2211 spectrum    1 weight  0.10000E+01 volume  0.70047E-02 ppm1      1.499 ppm2      0.622 CV     1
 ASSI { 2212}
   (  segid "    " and resid 50   and name HB% )
   (  segid "    " and resid 58   and name HG2%)
      4.800     2.800     1.200 peak  2212 spectrum    1 weight  0.10000E+01 volume  0.33825E-03 ppm1      1.502 ppm2      0.341 CV     1
 ASSI { 2213}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 51   and name HG2 ))
      3.500     1.500     1.500 peak  2213 spectrum    1 weight  0.10000E+01 volume  0.11623E-02 ppm1      1.500 ppm2      2.299 CV     1
 ASSI { 2217}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 47   and name HA  ))
      2.500     0.800     0.800 peak  2217 spectrum    1 weight  0.10000E+01 volume  0.34681E-02 ppm1      1.500 ppm2      3.292 CV     1
 ASSI { 2218}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 51   and name HG1 ))
      3.700     1.700     1.700 peak  2218 spectrum    1 weight  0.10000E+01 volume  0.59715E-03 ppm1      1.500 ppm2      2.814 CV     1
 ASSI { 2220}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 51   and name HB1 ))
      5.000     3.100     1.000 peak  2220 spectrum    1 weight  0.10000E+01 volume  0.46628E-03 ppm1      1.497 ppm2      2.462 CV     1
 ASSI { 2225}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      3.400     1.500     1.500 peak  2225 spectrum    1 weight  0.10000E+01 volume  0.15770E-02 ppm1      3.962 ppm2      8.201 CV     1
 ASSI { 2227}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      4.600     2.600     1.400 peak  2227 spectrum    1 weight  0.10000E+01 volume  0.23679E-03 ppm1      3.960 ppm2      7.729 CV     1
 ASSI { 2228}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 54   and name HD% )
      2.900     1.000     1.000 peak  2228 spectrum    1 weight  0.10000E+01 volume  0.28897E-02 ppm1      3.963 ppm2      7.470 CV     1
 OR { 2228}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 54   and name HZ  ))
 ASSI { 2229}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 54   and name HE% )
      3.400     1.500     1.500 peak  2229 spectrum    1 weight  0.10000E+01 volume  0.94786E-03 ppm1      3.962 ppm2      7.121 CV     1
 ASSI { 2234}
   (  segid "    " and resid 50   and name HB% )
   (  segid "    " and resid 54   and name HE% )
      3.000     1.100     1.100 peak  2234 spectrum    1 weight  0.10000E+01 volume  0.12735E-02 ppm1      1.498 ppm2      7.129 CV     1
 ASSI { 2235}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 49   and name HN  ))
      4.300     2.300     1.700 peak  2235 spectrum    1 weight  0.10000E+01 volume  0.10146E-02 ppm1      1.499 ppm2      7.905 CV     1
 ASSI { 2236}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 54   and name HB1 ))
      5.100     3.300     0.900 peak  2236 spectrum    1 weight  0.10000E+01 volume  0.27673E-03 ppm1      3.959 ppm2      3.433 CV     1
 ASSI { 2239}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HG1 ))
      2.900     1.100     1.100 peak  2239 spectrum    1 weight  0.10000E+01 volume  0.30861E-02 ppm1      4.186 ppm2      2.822 CV     1
 ASSI { 2240}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HB1 ))
      2.400     0.700     0.700 peak  2240 spectrum    1 weight  0.10000E+01 volume  0.39482E-02 ppm1      4.185 ppm2      2.477 CV     1
 ASSI { 2241}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HG2 ))
      2.300     0.700     0.700 peak  2241 spectrum    1 weight  0.10000E+01 volume  0.47998E-02 ppm1      4.186 ppm2      2.298 CV     1
 ASSI { 2242}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HB2 ))
      2.700     0.900     0.900 peak  2242 spectrum    1 weight  0.10000E+01 volume  0.54379E-02 ppm1      4.186 ppm2      2.111 CV     1
 ASSI { 2244}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 57   and name HB2 ))
      4.900     3.000     1.100 peak  2244 spectrum    1 weight  0.10000E+01 volume  0.38864E-03 ppm1      4.183 ppm2      1.693 CV     1
 OR { 2244}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 57   and name HB1 ))
 ASSI { 2252}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 54   and name HB1 ))
      5.300     3.600     0.700 peak  2252 spectrum    1 weight  0.10000E+01 volume  0.25244E-03 ppm1      4.191 ppm2      3.427 CV     1
 ASSI { 2257}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 2    and name HA  ))
      4.400     2.400     1.600 peak  2257 spectrum    1 weight  0.10000E+01 volume  0.50374E-03 ppm1      2.120 ppm2      4.833 CV     1
 ASSI { 2262}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      3.400     1.400     1.400 peak  2262 spectrum    1 weight  0.10000E+01 volume  0.10031E-02 ppm1      4.184 ppm2      7.725 CV     1
 ASSI { 2265}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 55   and name HN  ))
      4.500     2.600     1.500 peak  2265 spectrum    1 weight  0.10000E+01 volume  0.29265E-03 ppm1      2.492 ppm2      7.840 CV     1
 ASSI { 2267}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 47   and name HA  ))
      3.900     1.900     1.900 peak  2267 spectrum    1 weight  0.10000E+01 volume  0.28550E-03 ppm1      2.832 ppm2      3.311 CV     1
 ASSI { 2268}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 47   and name HA  ))
      4.900     3.000     1.100 peak  2268 spectrum    1 weight  0.10000E+01 volume  0.17663E-03 ppm1      2.298 ppm2      3.287 CV     1
 ASSI { 2269}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 57   and name HA  ))
      3.700     1.700     1.700 peak  2269 spectrum    1 weight  0.10000E+01 volume  0.13181E-02 ppm1      2.827 ppm2      4.736 CV     1
 ASSI { 2273}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 57   and name HA  ))
      2.400     0.700     0.700 peak  2273 spectrum    1 weight  0.10000E+01 volume  0.20934E-02 ppm1      2.300 ppm2      4.734 CV     1
 ASSI { 2281}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 51   and name HB1 ))
      2.600     0.900     0.900 peak  2281 spectrum    1 weight  0.10000E+01 volume  0.46509E-02 ppm1      2.824 ppm2      2.475 CV     1
 ASSI { 2290}
   (( segid "    " and resid 51   and name HG1 ))
   (  segid "    " and resid 58   and name HD1%)
      3.900     1.900     1.900 peak  2290 spectrum    1 weight  0.10000E+01 volume  0.11213E-02 ppm1      2.825 ppm2      0.574 CV     1
 ASSI { 2291}
   (( segid "    " and resid 51   and name HG1 ))
   (  segid "    " and resid 58   and name HG2%)
      5.700     4.100     0.300 peak  2291 spectrum    1 weight  0.10000E+01 volume  0.24904E-03 ppm1      2.825 ppm2      0.342 CV     1
 ASSI { 2292}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 58   and name HN  ))
      3.300     1.300     1.300 peak  2292 spectrum    1 weight  0.10000E+01 volume  0.11537E-02 ppm1      2.825 ppm2      9.879 CV     1
 ASSI { 2296}
   (( segid "    " and resid 51   and name HG2 ))
   (  segid "    " and resid 58   and name HG2%)
      5.600     4.000     0.400 peak  2296 spectrum    1 weight  0.10000E+01 volume  0.27970E-03 ppm1      2.289 ppm2      0.340 CV     1
 ASSI { 2302}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 52   and name HN  ))
      4.600     2.700     1.400 peak  2302 spectrum    1 weight  0.10000E+01 volume  0.46189E-03 ppm1      2.826 ppm2      7.727 CV     1
 ASSI { 2306}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 57   and name HN  ))
      4.800     2.800     1.200 peak  2306 spectrum    1 weight  0.10000E+01 volume  0.18844E-03 ppm1      2.294 ppm2      8.196 CV     1
 ASSI { 2310}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 52   and name HN  ))
      2.600     0.800     0.800 peak  2310 spectrum    1 weight  0.10000E+01 volume  0.27983E-02 ppm1      2.047 ppm2      7.725 CV     1
 ASSI { 2311}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 55   and name HN  ))
      5.000     3.200     1.000 peak  2311 spectrum    1 weight  0.10000E+01 volume  0.30515E-03 ppm1      2.140 ppm2      7.838 CV     1
 ASSI { 2312}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 55   and name HN  ))
      5.200     3.300     0.800 peak  2312 spectrum    1 weight  0.10000E+01 volume  0.28686E-03 ppm1      2.042 ppm2      7.838 CV     1
 ASSI { 2314}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      3.600     1.600     1.600 peak  2314 spectrum    1 weight  0.10000E+01 volume  0.83129E-03 ppm1      4.114 ppm2      8.210 CV     1
 ASSI { 2316}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 49   and name HA  ))
      3.200     1.300     1.300 peak  2316 spectrum    1 weight  0.10000E+01 volume  0.17865E-02 ppm1      2.142 ppm2      4.240 CV     1
 ASSI { 2317}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 49   and name HA  ))
      3.100     1.200     1.200 peak  2317 spectrum    1 weight  0.10000E+01 volume  0.13831E-02 ppm1      2.048 ppm2      4.239 CV     1
 ASSI { 2319}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 52   and name HA  ))
      2.700     0.900     0.900 peak  2319 spectrum    1 weight  0.10000E+01 volume  0.33688E-02 ppm1      2.047 ppm2      4.119 CV     1
 ASSI { 2323}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HG2 ))
      3.200     1.300     1.300 peak  2323 spectrum    1 weight  0.10000E+01 volume  0.24429E-02 ppm1      4.120 ppm2      2.242 CV     1
 ASSI { 2324}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 53   and name HB1 ))
      3.700     3.700     2.300 peak  2324 spectrum    1 weight  0.10000E+01 volume  0.18138E-02 ppm1      4.113 ppm2      1.591 CV     1
 ASSI { 2331}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 53   and name HN  ))
      2.500     0.800     0.800 peak  2331 spectrum    1 weight  0.10000E+01 volume  0.41823E-02 ppm1      1.609 ppm2      8.204 CV     1
 ASSI { 2337}
   (( segid "    " and resid 53   and name HB1 ))
   (  segid "    " and resid 54   and name HD% )
      5.100     3.200     0.900 peak  2337 spectrum    1 weight  0.10000E+01 volume  0.45321E-03 ppm1      1.612 ppm2      7.466 CV     1
 OR { 2337}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 54   and name HZ  ))
 ASSI { 2338}
   (( segid "    " and resid 53   and name HB1 ))
   (  segid "    " and resid 54   and name HE% )
      5.500     3.700     0.500 peak  2338 spectrum    1 weight  0.10000E+01 volume  0.27462E-03 ppm1      1.612 ppm2      7.129 CV     1
 ASSI { 2340}
   (( segid "    " and resid 53   and name HB2 ))
   (  segid "    " and resid 54   and name HD% )
      4.000     2.000     2.000 peak  2340 spectrum    1 weight  0.10000E+01 volume  0.81686E-03 ppm1      1.086 ppm2      7.470 CV     1
 OR { 2340}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 54   and name HZ  ))
 ASSI { 2341}
   (( segid "    " and resid 53   and name HB2 ))
   (  segid "    " and resid 54   and name HE% )
      4.600     2.700     1.400 peak  2341 spectrum    1 weight  0.10000E+01 volume  0.32512E-03 ppm1      1.094 ppm2      7.139 CV     1
 ASSI { 2343}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      2.600     0.900     0.900 peak  2343 spectrum    1 weight  0.10000E+01 volume  0.37114E-02 ppm1      3.915 ppm2      8.203 CV     1
 ASSI { 2348}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HD1 ))
      3.600     1.600     1.600 peak  2348 spectrum    1 weight  0.10000E+01 volume  0.80822E-03 ppm1      1.090 ppm2      2.882 CV     1
 ASSI { 2349}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HD2 ))
      3.500     1.500     1.500 peak  2349 spectrum    1 weight  0.10000E+01 volume  0.11347E-02 ppm1      1.087 ppm2      2.711 CV     1
 ASSI { 2352}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HD1 ))
      4.300     2.300     1.700 peak  2352 spectrum    1 weight  0.10000E+01 volume  0.18124E-02 ppm1      3.915 ppm2      2.880 CV     1
 ASSI { 2356}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HB1 ))
      1.700     0.400     0.500 peak  2356 spectrum    1 weight  0.10000E+01 volume  0.10756E-01 ppm1      1.087 ppm2      1.606 CV     1
 ASSI { 2357}
   (( segid "    " and resid 53   and name HB2 ))
   (  segid "    " and resid 50   and name HB% )
      5.000     3.100     1.000 peak  2357 spectrum    1 weight  0.10000E+01 volume  0.68471E-03 ppm1      1.086 ppm2      1.499 CV     1
 ASSI { 2358}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HB2 ))
      2.700     0.900     0.900 peak  2358 spectrum    1 weight  0.10000E+01 volume  0.34880E-02 ppm1      3.913 ppm2      1.087 CV     1
 ASSI { 2359}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HG2 ))
      3.500     1.500     1.500 peak  2359 spectrum    1 weight  0.10000E+01 volume  0.20395E-02 ppm1      3.916 ppm2      0.680 CV     1
 ASSI { 2360}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 53   and name HG1 ))
      2.900     1.000     1.000 peak  2360 spectrum    1 weight  0.10000E+01 volume  0.38460E-02 ppm1      1.609 ppm2      0.861 CV     1
 ASSI { 2362}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HG1 ))
      2.200     0.600     0.600 peak  2362 spectrum    1 weight  0.10000E+01 volume  0.53429E-02 ppm1      1.087 ppm2      0.863 CV     1
 ASSI { 2365}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 54   and name HA  ))
      4.900     3.000     1.100 peak  2365 spectrum    1 weight  0.10000E+01 volume  0.16230E-03 ppm1      1.091 ppm2      4.859 CV     1
 ASSI { 2367}
   (( segid "    " and resid 53   and name HD1 ))
   (( segid "    " and resid 53   and name HN  ))
      5.200     3.400     0.800 peak  2367 spectrum    1 weight  0.10000E+01 volume  0.40699E-03 ppm1      2.880 ppm2      8.195 CV     1
 ASSI { 2368}
   (( segid "    " and resid 53   and name HD2 ))
   (( segid "    " and resid 53   and name HN  ))
      4.800     2.900     1.200 peak  2368 spectrum    1 weight  0.10000E+01 volume  0.41149E-03 ppm1      2.711 ppm2      8.191 CV     1
 ASSI { 2369}
   (( segid "    " and resid 53   and name HD1 ))
   (( segid "    " and resid 54   and name HZ  ))
      3.700     1.800     1.800 peak  2369 spectrum    1 weight  0.10000E+01 volume  0.37324E-03 ppm1      2.873 ppm2      7.463 CV     1
 OR { 2369}
   (( segid "    " and resid 53   and name HD1 ))
   (  segid "    " and resid 54   and name HD% )
 ASSI { 2370}
   (( segid "    " and resid 53   and name HD2 ))
   (( segid "    " and resid 54   and name HZ  ))
      4.400     2.400     1.600 peak  2370 spectrum    1 weight  0.10000E+01 volume  0.45576E-03 ppm1      2.713 ppm2      7.473 CV     1
 OR { 2370}
   (( segid "    " and resid 53   and name HD2 ))
   (  segid "    " and resid 54   and name HD% )
 ASSI { 2374}
   (( segid "    " and resid 53   and name HD1 ))
   (  segid "    " and resid 54   and name HE% )
      3.200     1.300     1.300 peak  2374 spectrum    1 weight  0.10000E+01 volume  0.63570E-03 ppm1      2.875 ppm2      7.142 CV     1
 ASSI { 2375}
   (( segid "    " and resid 53   and name HD2 ))
   (  segid "    " and resid 54   and name HE% )
      3.800     1.800     1.800 peak  2375 spectrum    1 weight  0.10000E+01 volume  0.72472E-03 ppm1      2.708 ppm2      7.136 CV     1
 ASSI { 2380}
   (( segid "    " and resid 53   and name HD2 ))
   (( segid "    " and resid 10   and name HA1 ))
      4.200     2.200     1.800 peak  2380 spectrum    1 weight  0.10000E+01 volume  0.34106E-03 ppm1      2.709 ppm2      4.062 CV     1
 ASSI { 2383}
   (( segid "    " and resid 53   and name HD2 ))
   (( segid "    " and resid 53   and name HB1 ))
      3.000     1.100     1.100 peak  2383 spectrum    1 weight  0.10000E+01 volume  0.14197E-02 ppm1      2.710 ppm2      1.608 CV     1
 ASSI { 2384}
   (( segid "    " and resid 53   and name HD1 ))
   (( segid "    " and resid 53   and name HB1 ))
      3.500     1.500     1.500 peak  2384 spectrum    1 weight  0.10000E+01 volume  0.16221E-02 ppm1      2.880 ppm2      1.603 CV     1
 ASSI { 2385}
   (( segid "    " and resid 53   and name HD2 ))
   (  segid "    " and resid 50   and name HB% )
      4.700     2.800     1.300 peak  2385 spectrum    1 weight  0.10000E+01 volume  0.24788E-03 ppm1      2.704 ppm2      1.499 CV     1
 ASSI { 2386}
   (( segid "    " and resid 53   and name HD1 ))
   (( segid "    " and resid 53   and name HG2 ))
      2.700     0.900     0.900 peak  2386 spectrum    1 weight  0.10000E+01 volume  0.24599E-02 ppm1      2.878 ppm2      0.663 CV     1
 ASSI { 2387}
   (( segid "    " and resid 53   and name HD2 ))
   (( segid "    " and resid 53   and name HG2 ))
      2.400     0.700     0.700 peak  2387 spectrum    1 weight  0.10000E+01 volume  0.27685E-02 ppm1      2.706 ppm2      0.669 CV     1
 ASSI { 2392}
   (( segid "    " and resid 53   and name HD1 ))
   (  segid "    " and resid 14   and name HD1%)
      3.100     1.200     1.200 peak  2392 spectrum    1 weight  0.10000E+01 volume  0.22569E-02 ppm1      2.880 ppm2      0.737 CV     1
 ASSI { 2393}
   (( segid "    " and resid 53   and name HD2 ))
   (  segid "    " and resid 14   and name HD1%)
      2.500     0.800     0.800 peak  2393 spectrum    1 weight  0.10000E+01 volume  0.20497E-02 ppm1      2.706 ppm2      0.731 CV     1
 ASSI { 2394}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 53   and name HN  ))
      2.700     0.900     0.900 peak  2394 spectrum    1 weight  0.10000E+01 volume  0.74222E-03 ppm1      0.677 ppm2      8.197 CV     1
 ASSI { 2395}
   (( segid "    " and resid 53   and name HG2 ))
   (  segid "    " and resid 54   and name HD% )
      3.900     1.900     1.900 peak  2395 spectrum    1 weight  0.10000E+01 volume  0.62565E-03 ppm1      0.676 ppm2      7.463 CV     1
 OR { 2395}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 54   and name HZ  ))
 ASSI { 2396}
   (( segid "    " and resid 53   and name HG2 ))
   (  segid "    " and resid 54   and name HE% )
      4.000     2.000     2.000 peak  2396 spectrum    1 weight  0.10000E+01 volume  0.62346E-03 ppm1      0.680 ppm2      7.143 CV     1
 ASSI { 2398}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 54   and name HA  ))
      5.800     4.100     0.200 peak  2398 spectrum    1 weight  0.10000E+01 volume  0.15715E-03 ppm1      0.668 ppm2      4.833 CV     1
 ASSI { 2407}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 53   and name HB1 ))
      2.500     0.800     0.800 peak  2407 spectrum    1 weight  0.10000E+01 volume  0.23736E-02 ppm1      0.677 ppm2      1.608 CV     1
 ASSI { 2408}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 53   and name HB2 ))
      2.700     0.900     0.900 peak  2408 spectrum    1 weight  0.10000E+01 volume  0.42873E-02 ppm1      0.678 ppm2      1.081 CV     1
 ASSI { 2410}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 54   and name HN  ))
      3.600     1.600     1.600 peak  2410 spectrum    1 weight  0.10000E+01 volume  0.17649E-02 ppm1      3.438 ppm2      8.130 CV     1
 ASSI { 2411}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HN  ))
      2.400     0.700     0.700 peak  2411 spectrum    1 weight  0.10000E+01 volume  0.22867E-02 ppm1      2.746 ppm2      8.131 CV     1
 ASSI { 2414}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 55   and name HN  ))
      3.300     1.400     1.400 peak  2414 spectrum    1 weight  0.10000E+01 volume  0.91927E-03 ppm1      2.745 ppm2      7.839 CV     1
 ASSI { 2415}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 52   and name HN  ))
      3.300     3.300     2.700 peak  2415 spectrum    1 weight  0.10000E+01 volume  0.26854E-02 ppm1      2.744 ppm2      7.734 CV     1
 ASSI { 2416}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 63   and name HN  ))
      5.000     3.100     1.000 peak  2416 spectrum    1 weight  0.10000E+01 volume  0.26260E-03 ppm1      2.751 ppm2      7.574 CV     1
 ASSI { 2418}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 55   and name HN  ))
      4.200     2.200     1.800 peak  2418 spectrum    1 weight  0.10000E+01 volume  0.75770E-03 ppm1      3.439 ppm2      7.835 CV     1
 ASSI { 2420}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 80   and name HE21))
      4.100     2.100     1.900 peak  2420 spectrum    1 weight  0.10000E+01 volume  0.41989E-03 ppm1      3.439 ppm2      7.653 CV     1
 ASSI { 2421}
   (( segid "    " and resid 54   and name HB1 ))
   (  segid "    " and resid 54   and name HD% )
      2.500     0.800     0.800 peak  2421 spectrum    1 weight  0.10000E+01 volume  0.54475E-02 ppm1      3.440 ppm2      7.470 CV     1
 ASSI { 2422}
   (( segid "    " and resid 54   and name HB1 ))
   (  segid "    " and resid 54   and name HE% )
      4.600     2.700     1.400 peak  2422 spectrum    1 weight  0.10000E+01 volume  0.50479E-03 ppm1      3.437 ppm2      7.128 CV     1
 ASSI { 2424}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 54   and name HA  ))
      2.500     0.800     0.800 peak  2424 spectrum    1 weight  0.10000E+01 volume  0.33917E-02 ppm1      3.439 ppm2      4.846 CV     1
 ASSI { 2428}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HB1 ))
      1.600     0.300     0.600 peak  2428 spectrum    1 weight  0.10000E+01 volume  0.14213E-01 ppm1      2.746 ppm2      3.437 CV     1
 ASSI { 2435}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 56   and name HB  ))
      3.300     1.400     1.400 peak  2435 spectrum    1 weight  0.10000E+01 volume  0.67845E-03 ppm1      3.441 ppm2      2.009 CV     1
 ASSI { 2441}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HB2 ))
      3.500     1.500     1.500 peak  2441 spectrum    1 weight  0.10000E+01 volume  0.12815E-02 ppm1      4.858 ppm2      2.749 CV     1
 ASSI { 2442}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 55   and name HB2 ))
      4.100     2.100     1.900 peak  2442 spectrum    1 weight  0.10000E+01 volume  0.59500E-03 ppm1      3.444 ppm2      2.547 CV     1
 ASSI { 2452}
   (( segid "    " and resid 56   and name HB  ))
   (( segid "    " and resid 56   and name HN  ))
      2.900     1.000     1.000 peak  2452 spectrum    1 weight  0.10000E+01 volume  0.14045E-02 ppm1      2.010 ppm2      7.827 CV     1
 ASSI { 2454}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HB  ))
      2.500     0.800     0.800 peak  2454 spectrum    1 weight  0.10000E+01 volume  0.47816E-02 ppm1      4.677 ppm2      1.998 CV     1
 ASSI { 2457}
   (( segid "    " and resid 56   and name HB  ))
   (( segid "    " and resid 51   and name HA  ))
      4.800     2.900     1.200 peak  2457 spectrum    1 weight  0.10000E+01 volume  0.30148E-03 ppm1      2.017 ppm2      4.180 CV     1
 ASSI { 2464}
   (( segid "    " and resid 56   and name HA  ))
   (  segid "    " and resid 56   and name HG2%)
      2.700     0.900     0.900 peak  2464 spectrum    1 weight  0.10000E+01 volume  0.42723E-02 ppm1      4.679 ppm2      0.959 CV     1
 OR { 2464}
   (( segid "    " and resid 56   and name HA  ))
   (  segid "    " and resid 56   and name HG1%)
 ASSI { 2467}
   (( segid "    " and resid 56   and name HB  ))
   (  segid "    " and resid 56   and name HG1%)
      2.200     0.600     0.600 peak  2467 spectrum    1 weight  0.10000E+01 volume  0.88145E-02 ppm1      2.011 ppm2      0.952 CV     1
 OR { 2467}
   (( segid "    " and resid 56   and name HB  ))
   (  segid "    " and resid 56   and name HG2%)
 ASSI { 2472}
   (( segid "    " and resid 56   and name HB  ))
   (( segid "    " and resid 81   and name HN  ))
      4.200     2.200     1.800 peak  2472 spectrum    1 weight  0.10000E+01 volume  0.28492E-03 ppm1      2.005 ppm2      8.301 CV     1
 ASSI { 2473}
   (( segid "    " and resid 56   and name HB  ))
   (( segid "    " and resid 57   and name HN  ))
      2.900     1.100     1.100 peak  2473 spectrum    1 weight  0.10000E+01 volume  0.37743E-02 ppm1      2.012 ppm2      8.189 CV     1
 ASSI { 2498}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 76   and name HA  ))
      2.800     1.000     1.000 peak  2498 spectrum    1 weight  0.10000E+01 volume  0.22368E-02 ppm1      0.976 ppm2      3.506 CV     1
 ASSI { 2504}
   (  segid "    " and resid 56   and name HG1%)
   (( segid "    " and resid 56   and name HA  ))
      3.300     1.300     1.300 peak  2504 spectrum    1 weight  0.10000E+01 volume  0.17021E-02 ppm1      0.931 ppm2      4.681 CV     1
 ASSI { 2506}
   (  segid "    " and resid 56   and name HG1%)
   (( segid "    " and resid 80   and name HA  ))
      3.200     1.200     1.200 peak  2506 spectrum    1 weight  0.10000E+01 volume  0.20135E-02 ppm1      0.931 ppm2      4.413 CV     1
 ASSI { 2508}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 80   and name HA  ))
      2.800     1.000     1.000 peak  2508 spectrum    1 weight  0.10000E+01 volume  0.25526E-02 ppm1      0.981 ppm2      4.420 CV     1
 ASSI { 2511}
   (  segid "    " and resid 56   and name HG1%)
   (( segid "    " and resid 54   and name HA  ))
      5.300     3.500     0.700 peak  2511 spectrum    1 weight  0.10000E+01 volume  0.28319E-03 ppm1      0.932 ppm2      4.824 CV     1
 ASSI { 2512}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 57   and name HA  ))
      6.000     5.300     0.000 peak  2512 spectrum    1 weight  0.10000E+01 volume  0.60336E-04 ppm1      0.973 ppm2      4.754 CV     1
 ASSI { 2515}
   (  segid "    " and resid 56   and name HG1%)
   (  segid "    " and resid 75   and name HE% )
      3.900     1.900     1.900 peak  2515 spectrum    1 weight  0.10000E+01 volume  0.73423E-03 ppm1      0.931 ppm2      6.543 CV     1
 ASSI { 2516}
   (  segid "    " and resid 56   and name HG2%)
   (  segid "    " and resid 75   and name HD% )
      4.200     2.200     1.800 peak  2516 spectrum    1 weight  0.10000E+01 volume  0.59450E-03 ppm1      0.975 ppm2      6.802 CV     1
 ASSI { 2518}
   (  segid "    " and resid 56   and name HG2%)
   (  segid "    " and resid 75   and name HE% )
      3.700     1.700     1.700 peak  2518 spectrum    1 weight  0.10000E+01 volume  0.79580E-03 ppm1      0.978 ppm2      6.542 CV     1
 ASSI { 2519}
   (  segid "    " and resid 56   and name HG1%)
   (( segid "    " and resid 55   and name HN  ))
      3.500     1.500     1.500 peak  2519 spectrum    1 weight  0.10000E+01 volume  0.27362E-02 ppm1      0.930 ppm2      7.834 CV     1
 ASSI { 2522}
   (  segid "    " and resid 56   and name HG1%)
   (( segid "    " and resid 80   and name HE21))
      5.000     3.100     1.000 peak  2522 spectrum    1 weight  0.10000E+01 volume  0.25615E-03 ppm1      0.929 ppm2      7.636 CV     1
 ASSI { 2530}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 81   and name HN  ))
      3.700     1.800     1.800 peak  2530 spectrum    1 weight  0.10000E+01 volume  0.58906E-03 ppm1      0.978 ppm2      8.308 CV     1
 ASSI { 2531}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 57   and name HN  ))
      3.600     1.600     1.600 peak  2531 spectrum    1 weight  0.10000E+01 volume  0.15034E-02 ppm1      0.978 ppm2      8.189 CV     1
 ASSI { 2537}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 57   and name HN  ))
      2.600     0.800     0.800 peak  2537 spectrum    1 weight  0.10000E+01 volume  0.48062E-02 ppm1      1.691 ppm2      8.187 CV     1
 OR { 2537}
   (( segid "    " and resid 57   and name HB1 ))
   (( segid "    " and resid 57   and name HN  ))
 ASSI { 2540}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 57   and name HA  ))
      2.400     0.700     0.700 peak  2540 spectrum    1 weight  0.10000E+01 volume  0.39090E-02 ppm1      1.695 ppm2      4.731 CV     1
 OR { 2540}
   (( segid "    " and resid 57   and name HB1 ))
   (( segid "    " and resid 57   and name HA  ))
 ASSI { 2541}
   (( segid "    " and resid 57   and name HB1 ))
   (( segid "    " and resid 58   and name HA  ))
      4.900     3.000     1.100 peak  2541 spectrum    1 weight  0.10000E+01 volume  0.22093E-03 ppm1      1.683 ppm2      4.544 CV     1
 OR { 2541}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 58   and name HA  ))
 ASSI { 2542}
   (( segid "    " and resid 57   and name HB1 ))
   (( segid "    " and resid 59   and name HD1 ))
      4.100     2.100     1.900 peak  2542 spectrum    1 weight  0.10000E+01 volume  0.73706E-03 ppm1      1.692 ppm2      3.791 CV     1
 OR { 2542}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 59   and name HD1 ))
 OR { 2542}
   (( segid "    " and resid 57   and name HB1 ))
   (( segid "    " and resid 59   and name HD2 ))
 OR { 2542}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 59   and name HD2 ))
 ASSI { 2543}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 57   and name HE1 ))
      4.400     2.400     1.600 peak  2543 spectrum    1 weight  0.10000E+01 volume  0.47943E-03 ppm1      1.696 ppm2      2.949 CV     1
 OR { 2543}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 57   and name HE2 ))
 OR { 2543}
   (( segid "    " and resid 57   and name HB1 ))
   (( segid "    " and resid 57   and name HE2 ))
 OR { 2543}
   (( segid "    " and resid 57   and name HB1 ))
   (( segid "    " and resid 57   and name HE1 ))
 ASSI { 2546}
   (( segid "    " and resid 57   and name HB1 ))
   (( segid "    " and resid 57   and name HG2 ))
      2.100     0.600     0.600 peak  2546 spectrum    1 weight  0.10000E+01 volume  0.12349E-01 ppm1      1.690 ppm2      1.363 CV     1
 OR { 2546}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 57   and name HG2 ))
 OR { 2546}
   (( segid "    " and resid 57   and name HB1 ))
   (( segid "    " and resid 57   and name HG1 ))
 OR { 2546}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 57   and name HG1 ))
 ASSI { 2550}
   (( segid "    " and resid 57   and name HB1 ))
   (( segid "    " and resid 58   and name HN  ))
      3.700     1.800     1.800 peak  2550 spectrum    1 weight  0.10000E+01 volume  0.15142E-02 ppm1      1.689 ppm2      9.883 CV     1
 OR { 2550}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 58   and name HN  ))
 ASSI { 2552}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 51   and name HA  ))
      2.500     0.800     0.800 peak  2552 spectrum    1 weight  0.10000E+01 volume  0.75761E-02 ppm1      4.726 ppm2      4.176 CV     1
 ASSI { 2553}
   (( segid "    " and resid 57   and name HD2 ))
   (( segid "    " and resid 57   and name HA  ))
      3.200     1.300     1.300 peak  2553 spectrum    1 weight  0.10000E+01 volume  0.20203E-02 ppm1      1.665 ppm2      4.734 CV     1
 OR { 2553}
   (( segid "    " and resid 57   and name HD1 ))
   (( segid "    " and resid 57   and name HA  ))
 ASSI { 2554}
   (( segid "    " and resid 57   and name HD2 ))
   (( segid "    " and resid 57   and name HE1 ))
      2.800     1.000     1.000 peak  2554 spectrum    1 weight  0.10000E+01 volume  0.23567E-02 ppm1      1.663 ppm2      2.946 CV     1
 OR { 2554}
   (( segid "    " and resid 57   and name HD2 ))
   (( segid "    " and resid 57   and name HE2 ))
 OR { 2554}
   (( segid "    " and resid 57   and name HD1 ))
   (( segid "    " and resid 57   and name HE1 ))
 OR { 2554}
   (( segid "    " and resid 57   and name HD1 ))
   (( segid "    " and resid 57   and name HE2 ))
 ASSI { 2555}
   (( segid "    " and resid 57   and name HD1 ))
   (( segid "    " and resid 57   and name HG2 ))
      2.200     0.600     0.600 peak  2555 spectrum    1 weight  0.10000E+01 volume  0.93082E-02 ppm1      1.666 ppm2      1.376 CV     1
 OR { 2555}
   (( segid "    " and resid 57   and name HD2 ))
   (( segid "    " and resid 57   and name HG2 ))
 OR { 2555}
   (( segid "    " and resid 57   and name HD1 ))
   (( segid "    " and resid 57   and name HG1 ))
 OR { 2555}
   (( segid "    " and resid 57   and name HD2 ))
   (( segid "    " and resid 57   and name HG1 ))
 ASSI { 2557}
   (( segid "    " and resid 57   and name HD2 ))
   (( segid "    " and resid 58   and name HN  ))
      4.700     2.700     1.300 peak  2557 spectrum    1 weight  0.10000E+01 volume  0.48601E-03 ppm1      1.674 ppm2      9.878 CV     1
 OR { 2557}
   (( segid "    " and resid 57   and name HD1 ))
   (( segid "    " and resid 58   and name HN  ))
 ASSI { 2558}
   (( segid "    " and resid 57   and name HG1 ))
   (( segid "    " and resid 57   and name HA  ))
      3.100     1.200     1.200 peak  2558 spectrum    1 weight  0.10000E+01 volume  0.88816E-03 ppm1      1.380 ppm2      4.737 CV     1
 OR { 2558}
   (( segid "    " and resid 57   and name HG2 ))
   (( segid "    " and resid 57   and name HA  ))
 ASSI { 2559}
   (( segid "    " and resid 57   and name HG2 ))
   (( segid "    " and resid 57   and name HA  ))
      3.800     1.800     1.800 peak  2559 spectrum    1 weight  0.10000E+01 volume  0.98742E-03 ppm1      1.339 ppm2      4.736 CV     1
 ASSI { 2560}
   (( segid "    " and resid 57   and name HG1 ))
   (( segid "    " and resid 57   and name HN  ))
      4.500     2.500     1.500 peak  2560 spectrum    1 weight  0.10000E+01 volume  0.78443E-03 ppm1      1.351 ppm2      8.190 CV     1
 OR { 2560}
   (( segid "    " and resid 57   and name HG2 ))
   (( segid "    " and resid 57   and name HN  ))
 ASSI { 2562}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HN  ))
      2.700     0.900     0.900 peak  2562 spectrum    1 weight  0.10000E+01 volume  0.28964E-02 ppm1      4.483 ppm2      8.209 CV     1
 ASSI { 2567}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 59   and name HG2 ))
      4.500     2.500     1.500 peak  2567 spectrum    1 weight  0.10000E+01 volume  0.11412E-02 ppm1      4.529 ppm2      1.956 CV     1
 OR { 2567}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 59   and name HG1 ))
 OR { 2567}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 59   and name HB2 ))
 ASSI { 2570}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 59   and name HD2 ))
      2.000     0.500     0.500 peak  2570 spectrum    1 weight  0.10000E+01 volume  0.10642E-01 ppm1      4.522 ppm2      3.804 CV     1
 OR { 2570}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 59   and name HD1 ))
 ASSI { 2572}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 57   and name HA  ))
      5.300     3.500     0.700 peak  2572 spectrum    1 weight  0.10000E+01 volume  0.28308E-03 ppm1      1.679 ppm2      4.753 CV     1
 ASSI { 2573}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 58   and name HA  ))
      3.200     1.300     1.300 peak  2573 spectrum    1 weight  0.10000E+01 volume  0.10887E-02 ppm1      1.686 ppm2      4.520 CV     1
 ASSI { 2574}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 57   and name HA  ))
      4.000     2.000     2.000 peak  2574 spectrum    1 weight  0.10000E+01 volume  0.59285E-03 ppm1      4.526 ppm2      4.738 CV     1
 ASSI { 2579}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 59   and name HD2 ))
      5.300     3.500     0.700 peak  2579 spectrum    1 weight  0.10000E+01 volume  0.20249E-03 ppm1      1.679 ppm2      3.799 CV     1
 OR { 2579}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 59   and name HD1 ))
 ASSI { 2583}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 75   and name HE% )
      2.700     0.900     0.900 peak  2583 spectrum    1 weight  0.10000E+01 volume  0.23406E-02 ppm1      4.531 ppm2      6.548 CV     1
 ASSI { 2586}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 62   and name HB1 ))
      4.900     3.000     1.100 peak  2586 spectrum    1 weight  0.10000E+01 volume  0.24846E-03 ppm1      1.681 ppm2      2.456 CV     1
 OR { 2586}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 62   and name HB2 ))
 ASSI { 2591}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 51   and name HG1 ))
      4.200     2.200     1.800 peak  2591 spectrum    1 weight  0.10000E+01 volume  0.59701E-03 ppm1      1.688 ppm2      2.828 CV     1
 ASSI { 2593}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 58   and name HG2%)
      2.200     0.600     0.600 peak  2593 spectrum    1 weight  0.10000E+01 volume  0.55334E-02 ppm1      1.682 ppm2      0.336 CV     1
 ASSI { 2598}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 58   and name HG2%)
      2.300     0.600     0.600 peak  2598 spectrum    1 weight  0.10000E+01 volume  0.49200E-02 ppm1      4.528 ppm2      0.336 CV     1
 ASSI { 2600}
   (( segid "    " and resid 58   and name HG11))
   (( segid "    " and resid 57   and name HA  ))
      3.700     1.700     1.700 peak  2600 spectrum    1 weight  0.10000E+01 volume  0.74121E-03 ppm1      1.540 ppm2      4.735 CV     1
 ASSI { 2601}
   (( segid "    " and resid 58   and name HG11))
   (( segid "    " and resid 58   and name HA  ))
      2.600     0.800     0.800 peak  2601 spectrum    1 weight  0.10000E+01 volume  0.18066E-02 ppm1      1.538 ppm2      4.523 CV     1
 ASSI { 2605}
   (( segid "    " and resid 58   and name HG11))
   (( segid "    " and resid 59   and name HD2 ))
      4.200     2.200     1.800 peak  2605 spectrum    1 weight  0.10000E+01 volume  0.72929E-03 ppm1      1.537 ppm2      3.815 CV     1
 OR { 2605}
   (( segid "    " and resid 58   and name HG11))
   (( segid "    " and resid 59   and name HD1 ))
 ASSI { 2606}
   (( segid "    " and resid 58   and name HG11))
   (  segid "    " and resid 75   and name HD% )
      3.900     1.900     1.900 peak  2606 spectrum    1 weight  0.10000E+01 volume  0.58892E-03 ppm1      1.540 ppm2      6.819 CV     1
 ASSI { 2610}
   (( segid "    " and resid 58   and name HG11))
   (( segid "    " and resid 51   and name HG1 ))
      4.400     2.500     1.600 peak  2610 spectrum    1 weight  0.10000E+01 volume  0.94489E-03 ppm1      1.537 ppm2      2.815 CV     1
 ASSI { 2611}
   (( segid "    " and resid 58   and name HG11))
   (( segid "    " and resid 62   and name HB2 ))
      4.200     2.200     1.800 peak  2611 spectrum    1 weight  0.10000E+01 volume  0.51867E-03 ppm1      1.533 ppm2      2.445 CV     1
 OR { 2611}
   (( segid "    " and resid 58   and name HG11))
   (( segid "    " and resid 62   and name HB1 ))
 ASSI { 2612}
   (( segid "    " and resid 58   and name HG11))
   (( segid "    " and resid 51   and name HG2 ))
      3.600     1.600     1.600 peak  2612 spectrum    1 weight  0.10000E+01 volume  0.16589E-02 ppm1      1.536 ppm2      2.296 CV     1
 ASSI { 2618}
   (( segid "    " and resid 58   and name HG11))
   (( segid "    " and resid 58   and name HN  ))
      2.600     0.800     0.800 peak  2618 spectrum    1 weight  0.10000E+01 volume  0.21949E-02 ppm1      1.538 ppm2      9.879 CV     1
 ASSI { 2619}
   (( segid "    " and resid 58   and name HG11))
   (  segid "    " and resid 58   and name HG2%)
      3.000     1.100     1.100 peak  2619 spectrum    1 weight  0.10000E+01 volume  0.23978E-02 ppm1      1.538 ppm2      0.339 CV     1
 ASSI { 2621}
   (( segid "    " and resid 58   and name HG11))
   (( segid "    " and resid 58   and name HG12))
      1.500     0.300     0.700 peak  2621 spectrum    1 weight  0.10000E+01 volume  0.13630E-01 ppm1      1.538 ppm2      0.854 CV     1
 ASSI { 2626}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 66   and name HB1 ))
      5.700     4.100     0.300 peak  2626 spectrum    1 weight  0.10000E+01 volume  0.24430E-03 ppm1      0.340 ppm2      2.163 CV     1
 ASSI { 2628}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 59   and name HB2 ))
      5.000     3.100     1.000 peak  2628 spectrum    1 weight  0.10000E+01 volume  0.31005E-03 ppm1      0.343 ppm2      1.915 CV     1
 OR { 2628}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 59   and name HG2 ))
 ASSI { 2634}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 63   and name HA  ))
      3.000     1.100     1.100 peak  2634 spectrum    1 weight  0.10000E+01 volume  0.14450E-02 ppm1      0.341 ppm2      3.206 CV     1
 ASSI { 2646}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 72   and name HA  ))
      6.000     5.900     0.000 peak  2646 spectrum    1 weight  0.10000E+01 volume  0.80991E-04 ppm1      0.339 ppm2      4.098 CV     1
 ASSI { 2652}
   (  segid "    " and resid 58   and name HG2%)
   (  segid "    " and resid 75   and name HD% )
      3.500     1.600     1.600 peak  2652 spectrum    1 weight  0.10000E+01 volume  0.54325E-03 ppm1      0.341 ppm2      6.820 CV     1
 ASSI { 2655}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 58   and name HA  ))
      3.700     1.700     1.700 peak  2655 spectrum    1 weight  0.10000E+01 volume  0.12030E-02 ppm1      0.573 ppm2      4.523 CV     1
 ASSI { 2656}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 57   and name HA  ))
      4.400     2.400     1.600 peak  2656 spectrum    1 weight  0.10000E+01 volume  0.30609E-03 ppm1      0.576 ppm2      4.735 CV     1
 ASSI { 2657}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 59   and name HD2 ))
      4.500     2.600     1.500 peak  2657 spectrum    1 weight  0.10000E+01 volume  0.37767E-03 ppm1      0.574 ppm2      3.807 CV     1
 ASSI { 2661}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 75   and name HB1 ))
      5.300     3.500     0.700 peak  2661 spectrum    1 weight  0.10000E+01 volume  0.43396E-03 ppm1      0.581 ppm2      3.114 CV     1
 OR { 2661}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 75   and name HB2 ))
 ASSI { 2667}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 76   and name HA  ))
      5.100     3.300     0.900 peak  2667 spectrum    1 weight  0.10000E+01 volume  0.30011E-03 ppm1      0.571 ppm2      3.496 CV     1
 ASSI { 2669}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 58   and name HB  ))
      2.300     0.700     0.700 peak  2669 spectrum    1 weight  0.10000E+01 volume  0.51168E-02 ppm1      0.573 ppm2      1.680 CV     1
 ASSI { 2672}
   (  segid "    " and resid 58   and name HD1%)
   (  segid "    " and resid 58   and name HG2%)
      2.900     1.000     1.000 peak  2672 spectrum    1 weight  0.10000E+01 volume  0.89250E-02 ppm1      0.573 ppm2      0.342 CV     1
 ASSI { 2673}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 51   and name HN  ))
      3.900     1.900     1.900 peak  2673 spectrum    1 weight  0.10000E+01 volume  0.53512E-03 ppm1      0.569 ppm2      8.850 CV     1
 ASSI { 2675}
   (  segid "    " and resid 58   and name HD1%)
   (  segid "    " and resid 75   and name HD% )
      4.300     2.300     1.700 peak  2675 spectrum    1 weight  0.10000E+01 volume  0.11462E-02 ppm1      0.574 ppm2      6.820 CV     1
 ASSI { 2676}
   (  segid "    " and resid 58   and name HD1%)
   (  segid "    " and resid 75   and name HE% )
      4.400     2.400     1.600 peak  2676 spectrum    1 weight  0.10000E+01 volume  0.11736E-02 ppm1      0.571 ppm2      6.556 CV     1
 ASSI { 2685}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 62   and name HN  ))
      2.700     0.900     0.900 peak  2685 spectrum    1 weight  0.10000E+01 volume  0.14573E-02 ppm1      1.937 ppm2      7.523 CV     1
 ASSI { 2686}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 62   and name HN  ))
      4.800     2.900     1.200 peak  2686 spectrum    1 weight  0.10000E+01 volume  0.55394E-03 ppm1      2.385 ppm2      7.518 CV     1
 ASSI { 2688}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      6.000     4.600     0.000 peak  2688 spectrum    1 weight  0.10000E+01 volume  0.87482E-04 ppm1      4.404 ppm2      7.525 CV     1
 ASSI { 2689}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 58   and name HA  ))
      5.500     3.800     0.500 peak  2689 spectrum    1 weight  0.10000E+01 volume  0.39636E-03 ppm1      2.391 ppm2      4.525 CV     1
 ASSI { 2691}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 60   and name HA  ))
      5.800     4.200     0.200 peak  2691 spectrum    1 weight  0.10000E+01 volume  0.15243E-03 ppm1      2.382 ppm2      4.192 CV     1
 ASSI { 2692}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 59   and name HD1 ))
      3.700     1.700     1.700 peak  2692 spectrum    1 weight  0.10000E+01 volume  0.18157E-02 ppm1      2.387 ppm2      3.807 CV     1
 OR { 2692}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 59   and name HD2 ))
 ASSI { 2693}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HA  ))
      3.000     1.100     1.100 peak  2693 spectrum    1 weight  0.10000E+01 volume  0.26463E-02 ppm1      1.935 ppm2      4.401 CV     1
 ASSI { 2694}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HD2 ))
      3.200     1.300     1.300 peak  2694 spectrum    1 weight  0.10000E+01 volume  0.25710E-02 ppm1      1.935 ppm2      3.819 CV     1
 OR { 2694}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HD1 ))
 ASSI { 2695}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HD1 ))
      3.300     1.400     1.400 peak  2695 spectrum    1 weight  0.10000E+01 volume  0.12866E-02 ppm1      4.401 ppm2      3.806 CV     1
 OR { 2695}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HD2 ))
 ASSI { 2698}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 61   and name HB2 ))
      6.000     4.700     0.000 peak  2698 spectrum    1 weight  0.10000E+01 volume  0.96737E-04 ppm1      4.405 ppm2      2.499 CV     1
 ASSI { 2699}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HB1 ))
      2.100     0.500     0.500 peak  2699 spectrum    1 weight  0.10000E+01 volume  0.81512E-02 ppm1      4.402 ppm2      2.383 CV     1
 ASSI { 2701}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HB2 ))
      2.800     1.000     1.000 peak  2701 spectrum    1 weight  0.10000E+01 volume  0.57033E-02 ppm1      4.403 ppm2      1.934 CV     1
 OR { 2701}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HG2 ))
 ASSI { 2705}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 61   and name HB2 ))
      3.400     1.400     1.400 peak  2705 spectrum    1 weight  0.10000E+01 volume  0.83668E-03 ppm1      1.935 ppm2      2.496 CV     1
 ASSI { 2710}
   (( segid "    " and resid 59   and name HA  ))
   (  segid "    " and resid 58   and name HG2%)
      4.300     2.300     1.700 peak  2710 spectrum    1 weight  0.10000E+01 volume  0.40018E-03 ppm1      4.402 ppm2      0.332 CV     1
 ASSI { 2711}
   (( segid "    " and resid 59   and name HA  ))
   (  segid "    " and resid 47   and name HG1%)
      3.600     1.600     1.600 peak  2711 spectrum    1 weight  0.10000E+01 volume  0.52877E-03 ppm1      4.404 ppm2      0.892 CV     1
 OR { 2711}
   (( segid "    " and resid 59   and name HA  ))
   (  segid "    " and resid 47   and name HG2%)
 ASSI { 2712}
   (( segid "    " and resid 59   and name HB1 ))
   (  segid "    " and resid 58   and name HG2%)
      6.000     5.000     0.000 peak  2712 spectrum    1 weight  0.10000E+01 volume  0.10871E-03 ppm1      2.381 ppm2      0.335 CV     1
 ASSI { 2713}
   (( segid "    " and resid 59   and name HB2 ))
   (  segid "    " and resid 58   and name HG2%)
      4.700     2.800     1.300 peak  2713 spectrum    1 weight  0.10000E+01 volume  0.29215E-03 ppm1      1.931 ppm2      0.332 CV     1
 ASSI { 2715}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 59   and name HG2 ))
      2.300     0.700     0.700 peak  2715 spectrum    1 weight  0.10000E+01 volume  0.68786E-02 ppm1      3.812 ppm2      1.939 CV     1
 OR { 2715}
   (( segid "    " and resid 59   and name HD1 ))
   (( segid "    " and resid 59   and name HG2 ))
 OR { 2715}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 59   and name HB2 ))
 OR { 2715}
   (( segid "    " and resid 59   and name HD1 ))
   (( segid "    " and resid 59   and name HB2 ))
 ASSI { 2719}
   (( segid "    " and resid 59   and name HD1 ))
   (( segid "    " and resid 57   and name HG1 ))
      3.900     1.900     1.900 peak  2719 spectrum    1 weight  0.10000E+01 volume  0.27036E-03 ppm1      3.801 ppm2      1.350 CV     1
 OR { 2719}
   (( segid "    " and resid 59   and name HD1 ))
   (( segid "    " and resid 57   and name HG2 ))
 OR { 2719}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 57   and name HG1 ))
 OR { 2719}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 57   and name HG2 ))
 ASSI { 2722}
   (( segid "    " and resid 59   and name HD1 ))
   (  segid "    " and resid 58   and name HD1%)
      5.000     3.100     1.000 peak  2722 spectrum    1 weight  0.10000E+01 volume  0.40841E-03 ppm1      3.807 ppm2      0.580 CV     1
 OR { 2722}
   (( segid "    " and resid 59   and name HD2 ))
   (  segid "    " and resid 58   and name HD1%)
 ASSI { 2723}
   (( segid "    " and resid 59   and name HD2 ))
   (  segid "    " and resid 58   and name HG2%)
      3.500     1.600     1.600 peak  2723 spectrum    1 weight  0.10000E+01 volume  0.21522E-02 ppm1      3.814 ppm2      0.342 CV     1
 OR { 2723}
   (( segid "    " and resid 59   and name HD1 ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI { 2730}
   (( segid "    " and resid 59   and name HD2 ))
   (  segid "    " and resid 75   and name HE% )
      4.300     2.300     1.700 peak  2730 spectrum    1 weight  0.10000E+01 volume  0.74829E-03 ppm1      3.806 ppm2      6.551 CV     1
 OR { 2730}
   (( segid "    " and resid 59   and name HD1 ))
   (  segid "    " and resid 75   and name HE% )
 ASSI { 2732}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 62   and name HN  ))
      4.800     2.900     1.200 peak  2732 spectrum    1 weight  0.10000E+01 volume  0.30273E-03 ppm1      3.795 ppm2      7.517 CV     1
 OR { 2732}
   (( segid "    " and resid 59   and name HD1 ))
   (( segid "    " and resid 62   and name HN  ))
 ASSI { 2734}
   (( segid "    " and resid 59   and name HG1 ))
   (( segid "    " and resid 59   and name HD1 ))
      2.400     0.700     0.700 peak  2734 spectrum    1 weight  0.10000E+01 volume  0.48898E-02 ppm1      1.994 ppm2      3.807 CV     1
 OR { 2734}
   (( segid "    " and resid 59   and name HG1 ))
   (( segid "    " and resid 59   and name HD2 ))
 ASSI { 2735}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 59   and name HD2 ))
      2.400     0.700     0.700 peak  2735 spectrum    1 weight  0.10000E+01 volume  0.49679E-02 ppm1      1.926 ppm2      3.807 CV     1
 OR { 2735}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 59   and name HD1 ))
 ASSI { 2736}
   (( segid "    " and resid 59   and name HG1 ))
   (( segid "    " and resid 58   and name HA  ))
      5.000     3.100     1.000 peak  2736 spectrum    1 weight  0.10000E+01 volume  0.78680E-03 ppm1      1.994 ppm2      4.525 CV     1
 ASSI { 2737}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 58   and name HA  ))
      4.800     2.900     1.200 peak  2737 spectrum    1 weight  0.10000E+01 volume  0.65831E-03 ppm1      1.926 ppm2      4.522 CV     1
 ASSI { 2738}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 59   and name HA  ))
      3.900     1.900     1.900 peak  2738 spectrum    1 weight  0.10000E+01 volume  0.13731E-02 ppm1      1.925 ppm2      4.402 CV     1
 ASSI { 2739}
   (( segid "    " and resid 59   and name HG1 ))
   (( segid "    " and resid 59   and name HA  ))
      3.300     1.400     1.400 peak  2739 spectrum    1 weight  0.10000E+01 volume  0.13352E-02 ppm1      1.993 ppm2      4.400 CV     1
 ASSI { 2744}
   (( segid "    " and resid 59   and name HG1 ))
   (( segid "    " and resid 61   and name HB2 ))
      5.000     3.100     1.000 peak  2744 spectrum    1 weight  0.10000E+01 volume  0.36290E-03 ppm1      1.993 ppm2      2.489 CV     1
 ASSI { 2745}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 61   and name HB2 ))
      4.300     2.300     1.700 peak  2745 spectrum    1 weight  0.10000E+01 volume  0.56472E-03 ppm1      1.923 ppm2      2.489 CV     1
 ASSI { 2748}
   (( segid "    " and resid 59   and name HG1 ))
   (  segid "    " and resid 58   and name HG2%)
      5.800     4.200     0.200 peak  2748 spectrum    1 weight  0.10000E+01 volume  0.29955E-03 ppm1      1.995 ppm2      0.334 CV     1
 ASSI { 2749}
   (( segid "    " and resid 59   and name HG2 ))
   (  segid "    " and resid 58   and name HG2%)
      5.600     3.900     0.400 peak  2749 spectrum    1 weight  0.10000E+01 volume  0.22367E-03 ppm1      1.922 ppm2      0.327 CV     1
 ASSI { 2751}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HB1 ))
      2.000     0.500     0.500 peak  2751 spectrum    1 weight  0.10000E+01 volume  0.10741E-01 ppm1      4.199 ppm2      2.611 CV     1
 OR { 2751}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HB2 ))
 ASSI { 2754}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 63   and name HB  ))
      2.400     0.700     0.700 peak  2754 spectrum    1 weight  0.10000E+01 volume  0.23521E-02 ppm1      4.198 ppm2      2.024 CV     1
 ASSI { 2755}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 63   and name HG2%)
      3.100     1.200     1.200 peak  2755 spectrum    1 weight  0.10000E+01 volume  0.38580E-02 ppm1      4.198 ppm2      0.898 CV     1
 ASSI { 2756}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 63   and name HG1%)
      2.600     0.900     0.900 peak  2756 spectrum    1 weight  0.10000E+01 volume  0.27349E-02 ppm1      4.199 ppm2      0.811 CV     1
 ASSI { 2757}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 58   and name HG2%)
      4.500     2.600     1.500 peak  2757 spectrum    1 weight  0.10000E+01 volume  0.45276E-03 ppm1      4.201 ppm2      0.337 CV     1
 ASSI { 2759}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 63   and name HB  ))
      5.000     3.100     1.000 peak  2759 spectrum    1 weight  0.10000E+01 volume  0.45243E-03 ppm1      2.609 ppm2      2.023 CV     1
 OR { 2759}
   (( segid "    " and resid 60   and name HB1 ))
   (( segid "    " and resid 63   and name HB  ))
 ASSI { 2761}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 64   and name HE1 ))
      4.400     2.400     1.600 peak  2761 spectrum    1 weight  0.10000E+01 volume  0.51287E-03 ppm1      2.616 ppm2      3.008 CV     1
 OR { 2761}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 64   and name HE2 ))
 OR { 2761}
   (( segid "    " and resid 60   and name HB1 ))
   (( segid "    " and resid 64   and name HE1 ))
 OR { 2761}
   (( segid "    " and resid 60   and name HB1 ))
   (( segid "    " and resid 64   and name HE2 ))
 ASSI { 2764}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 59   and name HA  ))
      3.800     1.800     1.800 peak  2764 spectrum    1 weight  0.10000E+01 volume  0.14007E-02 ppm1      4.203 ppm2      4.398 CV     1
 ASSI { 2768}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 63   and name HN  ))
      3.100     1.200     1.200 peak  2768 spectrum    1 weight  0.10000E+01 volume  0.14907E-02 ppm1      4.200 ppm2      7.579 CV     1
 ASSI { 2770}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      4.900     2.900     1.100 peak  2770 spectrum    1 weight  0.10000E+01 volume  0.27655E-03 ppm1      4.206 ppm2      7.178 CV     1
 ASSI { 2772}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      3.300     1.400     1.400 peak  2772 spectrum    1 weight  0.10000E+01 volume  0.12978E-02 ppm1      4.324 ppm2      7.520 CV     1
 ASSI { 2773}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      3.800     1.800     1.800 peak  2773 spectrum    1 weight  0.10000E+01 volume  0.61012E-03 ppm1      4.327 ppm2      7.175 CV     1
 ASSI { 2775}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 62   and name HN  ))
      3.700     1.700     1.700 peak  2775 spectrum    1 weight  0.10000E+01 volume  0.61473E-03 ppm1      2.487 ppm2      7.523 CV     1
 ASSI { 2777}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 61   and name HN  ))
      3.400     1.500     1.500 peak  2777 spectrum    1 weight  0.10000E+01 volume  0.23606E-02 ppm1      2.642 ppm2      8.665 CV     1
 ASSI { 2778}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 61   and name HA  ))
      2.900     1.000     1.000 peak  2778 spectrum    1 weight  0.10000E+01 volume  0.39174E-02 ppm1      2.488 ppm2      4.322 CV     1
 ASSI { 2780}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 64   and name HE1 ))
      5.300     3.500     0.700 peak  2780 spectrum    1 weight  0.10000E+01 volume  0.22907E-03 ppm1      2.496 ppm2      3.001 CV     1
 OR { 2780}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 64   and name HE2 ))
 ASSI { 2782}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 59   and name HB2 ))
      3.700     1.700     1.700 peak  2782 spectrum    1 weight  0.10000E+01 volume  0.48702E-03 ppm1      2.492 ppm2      1.934 CV     1
 OR { 2782}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 59   and name HG2 ))
 ASSI { 2786}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 64   and name HB1 ))
      4.200     2.200     1.800 peak  2786 spectrum    1 weight  0.10000E+01 volume  0.60258E-03 ppm1      4.317 ppm2      1.784 CV     1
 OR { 2786}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 64   and name HB2 ))
 ASSI { 2787}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 64   and name HD2 ))
      4.300     2.300     1.700 peak  2787 spectrum    1 weight  0.10000E+01 volume  0.11683E-02 ppm1      4.325 ppm2      1.674 CV     1
 OR { 2787}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 64   and name HD1 ))
 ASSI { 2789}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 64   and name HG1 ))
      3.500     1.500     1.500 peak  2789 spectrum    1 weight  0.10000E+01 volume  0.12793E-02 ppm1      4.323 ppm2      1.398 CV     1
 OR { 2789}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 64   and name HG2 ))
 ASSI { 2790}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HB1 ))
      2.300     0.700     0.700 peak  2790 spectrum    1 weight  0.10000E+01 volume  0.83020E-02 ppm1      4.323 ppm2      2.645 CV     1
 ASSI { 2792}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 64   and name HE1 ))
      3.300     1.300     1.300 peak  2792 spectrum    1 weight  0.10000E+01 volume  0.88615E-03 ppm1      4.324 ppm2      3.003 CV     1
 OR { 2792}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 64   and name HE2 ))
 ASSI { 2793}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 62   and name HN  ))
      2.500     0.800     0.800 peak  2793 spectrum    1 weight  0.10000E+01 volume  0.42691E-02 ppm1      2.418 ppm2      7.521 CV     1
 OR { 2793}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 62   and name HN  ))
 ASSI { 2794}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      2.700     0.900     0.900 peak  2794 spectrum    1 weight  0.10000E+01 volume  0.26547E-02 ppm1      4.667 ppm2      7.530 CV     1
 ASSI { 2797}
   (( segid "    " and resid 62   and name HB2 ))
   (  segid "    " and resid 75   and name HE% )
      3.200     1.200     1.200 peak  2797 spectrum    1 weight  0.10000E+01 volume  0.23460E-02 ppm1      2.420 ppm2      6.549 CV     1
 OR { 2797}
   (( segid "    " and resid 62   and name HB1 ))
   (  segid "    " and resid 75   and name HE% )
 ASSI { 2801}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 58   and name HA  ))
      3.900     1.900     1.900 peak  2801 spectrum    1 weight  0.10000E+01 volume  0.56060E-03 ppm1      2.416 ppm2      4.527 CV     1
 OR { 2801}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 58   and name HA  ))
 ASSI { 2803}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 59   and name HB2 ))
      3.200     1.300     1.300 peak  2803 spectrum    1 weight  0.10000E+01 volume  0.17558E-02 ppm1      2.415 ppm2      1.951 CV     1
 OR { 2803}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 59   and name HG2 ))
 OR { 2803}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 59   and name HG2 ))
 OR { 2803}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 59   and name HB2 ))
 OR { 2803}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 59   and name HG1 ))
 OR { 2803}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 59   and name HG1 ))
 ASSI { 2807}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 64   and name HG1 ))
      5.300     3.500     0.700 peak  2807 spectrum    1 weight  0.10000E+01 volume  0.24581E-03 ppm1      2.425 ppm2      1.404 CV     1
 OR { 2807}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 64   and name HG1 ))
 OR { 2807}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 64   and name HG2 ))
 OR { 2807}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 64   and name HG2 ))
 ASSI { 2808}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HB2 ))
      2.500     0.800     0.800 peak  2808 spectrum    1 weight  0.10000E+01 volume  0.62026E-02 ppm1      4.669 ppm2      2.420 CV     1
 OR { 2808}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HB1 ))
 ASSI { 2810}
   (( segid "    " and resid 62   and name HB2 ))
   (  segid "    " and resid 58   and name HG2%)
      2.800     1.000     1.000 peak  2810 spectrum    1 weight  0.10000E+01 volume  0.25809E-02 ppm1      2.418 ppm2      0.333 CV     1
 OR { 2810}
   (( segid "    " and resid 62   and name HB1 ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI { 2813}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HN  ))
      2.400     0.700     0.700 peak  2813 spectrum    1 weight  0.10000E+01 volume  0.36265E-02 ppm1      3.211 ppm2      7.579 CV     1
 ASSI { 2814}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      4.900     3.000     1.100 peak  2814 spectrum    1 weight  0.10000E+01 volume  0.34053E-03 ppm1      3.213 ppm2      7.470 CV     1
 ASSI { 2816}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      3.000     1.100     1.100 peak  2816 spectrum    1 weight  0.10000E+01 volume  0.11311E-02 ppm1      3.211 ppm2      7.176 CV     1
 ASSI { 2817}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 64   and name HG1 ))
      5.100     3.300     0.900 peak  2817 spectrum    1 weight  0.10000E+01 volume  0.20238E-03 ppm1      3.208 ppm2      1.434 CV     1
 OR { 2817}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 64   and name HG2 ))
 ASSI { 2818}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 40   and name H3A ))
      5.700     4.100     0.300 peak  2818 spectrum    1 weight  0.10000E+01 volume  0.21223E-03 ppm1      3.213 ppm2      1.199 CV     1
 ASSI { 2821}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 66   and name HB1 ))
      4.000     2.000     2.000 peak  2821 spectrum    1 weight  0.10000E+01 volume  0.14444E-02 ppm1      3.211 ppm2      2.154 CV     1
 ASSI { 2824}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 66   and name HG  ))
      2.200     0.600     0.600 peak  2824 spectrum    1 weight  0.10000E+01 volume  0.47190E-02 ppm1      3.211 ppm2      1.796 CV     1
 ASSI { 2826}
   (( segid "    " and resid 63   and name HA  ))
   (  segid "    " and resid 66   and name HD2%)
      4.100     2.100     1.900 peak  2826 spectrum    1 weight  0.10000E+01 volume  0.18901E-02 ppm1      3.211 ppm2      0.590 CV     1
 ASSI { 2827}
   (( segid "    " and resid 63   and name HA  ))
   (  segid "    " and resid 66   and name HD1%)
      2.100     0.500     0.500 peak  2827 spectrum    1 weight  0.10000E+01 volume  0.52804E-02 ppm1      3.211 ppm2      0.404 CV     1
 ASSI { 2834}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 64   and name HA  ))
      4.200     2.200     1.800 peak  2834 spectrum    1 weight  0.10000E+01 volume  0.32134E-03 ppm1      3.211 ppm2      3.966 CV     1
 ASSI { 2837}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 63   and name HA  ))
      2.200     0.600     0.600 peak  2837 spectrum    1 weight  0.10000E+01 volume  0.58742E-02 ppm1      0.901 ppm2      3.213 CV     1
 ASSI { 2838}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 63   and name HA  ))
      2.700     0.900     0.900 peak  2838 spectrum    1 weight  0.10000E+01 volume  0.51091E-02 ppm1      0.817 ppm2      3.204 CV     1
 ASSI { 2839}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 44   and name HA  ))
      3.300     1.400     1.400 peak  2839 spectrum    1 weight  0.10000E+01 volume  0.33964E-03 ppm1      0.815 ppm2      3.569 CV     1
 ASSI { 2840}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 40   and name H37B))
      4.300     2.300     1.700 peak  2840 spectrum    1 weight  0.10000E+01 volume  0.21654E-03 ppm1      0.815 ppm2      3.511 CV     1
 OR { 2840}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 40   and name H37A))
 ASSI { 2846}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 64   and name HN  ))
      2.900     1.000     1.000 peak  2846 spectrum    1 weight  0.10000E+01 volume  0.15968E-02 ppm1      0.817 ppm2      7.172 CV     1
 ASSI { 2849}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 63   and name HN  ))
      2.900     1.100     1.100 peak  2849 spectrum    1 weight  0.10000E+01 volume  0.22942E-02 ppm1      0.818 ppm2      7.579 CV     1
 ASSI { 2850}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 40   and name H41A))
      3.800     1.800     1.800 peak  2850 spectrum    1 weight  0.10000E+01 volume  0.30592E-03 ppm1      0.815 ppm2      8.049 CV     1
 ASSI { 2851}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 40   and name H36A))
      4.500     2.600     1.500 peak  2851 spectrum    1 weight  0.10000E+01 volume  0.17507E-03 ppm1      0.813 ppm2      7.992 CV     1
 ASSI { 2859}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 62   and name HB1 ))
      5.000     3.200     1.000 peak  2859 spectrum    1 weight  0.10000E+01 volume  0.43748E-03 ppm1      0.819 ppm2      2.431 CV     1
 OR { 2859}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 62   and name HB2 ))
 ASSI { 2862}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 64   and name HE2 ))
      5.800     4.200     0.200 peak  2862 spectrum    1 weight  0.10000E+01 volume  0.15502E-03 ppm1      0.823 ppm2      3.000 CV     1
 OR { 2862}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 64   and name HE1 ))
 ASSI { 2865}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 63   and name HB  ))
      2.200     0.600     0.600 peak  2865 spectrum    1 weight  0.10000E+01 volume  0.55448E-02 ppm1      0.816 ppm2      2.018 CV     1
 ASSI { 2866}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 66   and name HG  ))
      4.600     2.700     1.400 peak  2866 spectrum    1 weight  0.10000E+01 volume  0.52470E-03 ppm1      0.816 ppm2      1.792 CV     1
 ASSI { 2868}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 64   and name HG1 ))
      3.600     1.600     1.600 peak  2868 spectrum    1 weight  0.10000E+01 volume  0.15641E-02 ppm1      0.814 ppm2      1.428 CV     1
 OR { 2868}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 64   and name HG2 ))
 ASSI { 2870}
   (  segid "    " and resid 63   and name HG1%)
   (  segid "    " and resid 66   and name HD1%)
      4.400     2.400     1.600 peak  2870 spectrum    1 weight  0.10000E+01 volume  0.89012E-03 ppm1      0.812 ppm2      0.406 CV     1
 ASSI { 2872}
   (  segid "    " and resid 63   and name HG1%)
   (  segid "    " and resid 58   and name HG2%)
      4.500     2.500     1.500 peak  2872 spectrum    1 weight  0.10000E+01 volume  0.74756E-03 ppm1      0.814 ppm2      0.312 CV     1
 ASSI { 2873}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      2.400     0.700     0.700 peak  2873 spectrum    1 weight  0.10000E+01 volume  0.44256E-02 ppm1      3.976 ppm2      7.174 CV     1
 ASSI { 2876}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 63   and name HN  ))
      5.200     3.400     0.800 peak  2876 spectrum    1 weight  0.10000E+01 volume  0.24053E-03 ppm1      3.972 ppm2      7.585 CV     1
 ASSI { 2877}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 65   and name HN  ))
      4.100     2.100     1.900 peak  2877 spectrum    1 weight  0.10000E+01 volume  0.62633E-03 ppm1      1.825 ppm2      7.280 CV     1
 ASSI { 2878}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 65   and name HN  ))
      4.300     2.300     1.700 peak  2878 spectrum    1 weight  0.10000E+01 volume  0.43936E-03 ppm1      1.761 ppm2      7.279 CV     1
 ASSI { 2879}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 64   and name HN  ))
      2.500     0.800     0.800 peak  2879 spectrum    1 weight  0.10000E+01 volume  0.25225E-02 ppm1      1.818 ppm2      7.175 CV     1
 ASSI { 2885}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 64   and name HE2 ))
      3.500     1.500     1.500 peak  2885 spectrum    1 weight  0.10000E+01 volume  0.42710E-03 ppm1      1.774 ppm2      3.004 CV     1
 OR { 2885}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 64   and name HE1 ))
 OR { 2885}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 64   and name HE2 ))
 OR { 2885}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 64   and name HE1 ))
 ASSI { 2886}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 40   and name H38B))
      4.300     2.300     1.700 peak  2886 spectrum    1 weight  0.10000E+01 volume  0.22211E-03 ppm1      1.817 ppm2      2.465 CV     1
 OR { 2886}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 40   and name H38B))
 OR { 2886}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 40   and name H38A))
 OR { 2886}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 40   and name H38A))
 ASSI { 2887}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 64   and name HG1 ))
      2.200     0.600     0.600 peak  2887 spectrum    1 weight  0.10000E+01 volume  0.57719E-02 ppm1      1.822 ppm2      1.400 CV     1
 OR { 2887}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 64   and name HG2 ))
 ASSI { 2888}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 64   and name HG1 ))
      2.300     0.700     0.700 peak  2888 spectrum    1 weight  0.10000E+01 volume  0.46308E-02 ppm1      1.766 ppm2      1.403 CV     1
 OR { 2888}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 64   and name HG2 ))
 OR { 2888}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 64   and name HG2 ))
 OR { 2888}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 64   and name HG1 ))
 ASSI { 2889}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 40   and name H37B))
      4.000     2.000     2.000 peak  2889 spectrum    1 weight  0.10000E+01 volume  0.63606E-03 ppm1      3.980 ppm2      3.472 CV     1
 OR { 2889}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 40   and name H37A))
 ASSI { 2892}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HE2 ))
      6.000     6.000     0.000 peak  2892 spectrum    1 weight  0.10000E+01 volume  0.84728E-04 ppm1      3.980 ppm2      2.982 CV     1
 OR { 2892}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HE1 ))
 ASSI { 2893}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 40   and name H43B))
      4.300     2.300     1.700 peak  2893 spectrum    1 weight  0.10000E+01 volume  0.44213E-03 ppm1      3.978 ppm2      2.818 CV     1
 OR { 2893}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 40   and name H43A))
 ASSI { 2895}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 40   and name H38B))
      3.400     1.400     1.400 peak  2895 spectrum    1 weight  0.10000E+01 volume  0.10928E-02 ppm1      3.977 ppm2      2.464 CV     1
 OR { 2895}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 40   and name H38A))
 ASSI { 2896}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HG2 ))
      3.000     1.100     1.100 peak  2896 spectrum    1 weight  0.10000E+01 volume  0.40683E-02 ppm1      3.976 ppm2      1.401 CV     1
 OR { 2896}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HG1 ))
 ASSI { 2897}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HB1 ))
      2.100     0.500     0.500 peak  2897 spectrum    1 weight  0.10000E+01 volume  0.88779E-02 ppm1      3.976 ppm2      1.803 CV     1
 OR { 2897}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HB2 ))
 ASSI { 2898}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HD1 ))
      4.600     2.600     1.400 peak  2898 spectrum    1 weight  0.10000E+01 volume  0.11655E-02 ppm1      3.978 ppm2      1.680 CV     1
 OR { 2898}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HD2 ))
 ASSI { 2899}
   (( segid "    " and resid 64   and name HA  ))
   (  segid "    " and resid 63   and name HG1%)
      3.100     1.200     1.200 peak  2899 spectrum    1 weight  0.10000E+01 volume  0.18388E-02 ppm1      3.976 ppm2      0.814 CV     1
 ASSI { 2900}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 65   and name HA  ))
      4.900     3.000     1.100 peak  2900 spectrum    1 weight  0.10000E+01 volume  0.18348E-03 ppm1      3.974 ppm2      4.870 CV     1
 ASSI { 2901}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 64   and name HG1 ))
      2.500     0.800     0.800 peak  2901 spectrum    1 weight  0.10000E+01 volume  0.50310E-02 ppm1      3.003 ppm2      1.397 CV     1
 OR { 2901}
   (( segid "    " and resid 64   and name HE2 ))
   (( segid "    " and resid 64   and name HG1 ))
 OR { 2901}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 64   and name HG2 ))
 OR { 2901}
   (( segid "    " and resid 64   and name HE2 ))
   (( segid "    " and resid 64   and name HG2 ))
 ASSI { 2902}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 64   and name HD2 ))
      2.300     0.700     0.700 peak  2902 spectrum    1 weight  0.10000E+01 volume  0.68731E-02 ppm1      3.002 ppm2      1.669 CV     1
 OR { 2902}
   (( segid "    " and resid 64   and name HE2 ))
   (( segid "    " and resid 64   and name HD1 ))
 OR { 2902}
   (( segid "    " and resid 64   and name HE2 ))
   (( segid "    " and resid 64   and name HD2 ))
 OR { 2902}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 64   and name HD1 ))
 ASSI { 2916}
   (( segid "    " and resid 65   and name HB1 ))
   (( segid "    " and resid 65   and name HN  ))
      3.700     1.700     1.700 peak  2916 spectrum    1 weight  0.10000E+01 volume  0.17735E-02 ppm1      3.055 ppm2      7.264 CV     1
 ASSI { 2920}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HN  ))
      2.800     1.000     1.000 peak  2920 spectrum    1 weight  0.10000E+01 volume  0.21419E-02 ppm1      4.885 ppm2      7.269 CV     1
 ASSI { 2921}
   (( segid "    " and resid 65   and name HB1 ))
   (( segid "    " and resid 65   and name HA  ))
      2.700     0.900     0.900 peak  2921 spectrum    1 weight  0.10000E+01 volume  0.31261E-02 ppm1      3.057 ppm2      4.879 CV     1
 ASSI { 2923}
   (( segid "    " and resid 65   and name HB1 ))
   (( segid "    " and resid 62   and name HA  ))
      6.000     4.700     0.000 peak  2923 spectrum    1 weight  0.10000E+01 volume  0.24145E-03 ppm1      3.065 ppm2      4.668 CV     1
 ASSI { 2924}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 65   and name HB1 ))
      1.600     0.300     0.600 peak  2924 spectrum    1 weight  0.10000E+01 volume  0.20512E-01 ppm1      2.743 ppm2      3.049 CV     1
 ASSI { 2927}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 66   and name HN  ))
      2.700     0.900     0.900 peak  2927 spectrum    1 weight  0.10000E+01 volume  0.15546E-02 ppm1      0.974 ppm2      7.716 CV     1
 ASSI { 2935}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 72   and name HA  ))
      4.200     2.200     1.800 peak  2935 spectrum    1 weight  0.10000E+01 volume  0.78991E-03 ppm1      0.971 ppm2      4.113 CV     1
 ASSI { 2937}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 71   and name HB2 ))
      5.100     3.200     0.900 peak  2937 spectrum    1 weight  0.10000E+01 volume  0.35544E-03 ppm1      2.167 ppm2      2.927 CV     1
 ASSI { 2941}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 63   and name HA  ))
      3.300     1.300     1.300 peak  2941 spectrum    1 weight  0.10000E+01 volume  0.73477E-03 ppm1      0.970 ppm2      3.198 CV     1
 ASSI { 2944}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 71   and name HB2 ))
      5.800     4.200     0.200 peak  2944 spectrum    1 weight  0.10000E+01 volume  0.51406E-03 ppm1      0.975 ppm2      2.928 CV     1
 ASSI { 2945}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 66   and name HG  ))
      2.800     1.000     1.000 peak  2945 spectrum    1 weight  0.10000E+01 volume  0.25840E-02 ppm1      2.165 ppm2      1.803 CV     1
 ASSI { 2946}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 66   and name HG  ))
      2.700     0.900     0.900 peak  2946 spectrum    1 weight  0.10000E+01 volume  0.12841E-02 ppm1      0.975 ppm2      1.831 CV     1
 ASSI { 2948}
   (( segid "    " and resid 66   and name HB1 ))
   (  segid "    " and resid 66   and name HD1%)
      2.400     0.700     0.700 peak  2948 spectrum    1 weight  0.10000E+01 volume  0.35831E-02 ppm1      2.164 ppm2      0.408 CV     1
 ASSI { 2951}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 66   and name HD1%)
      2.300     0.700     0.700 peak  2951 spectrum    1 weight  0.10000E+01 volume  0.36299E-02 ppm1      0.972 ppm2      0.406 CV     1
 ASSI { 2952}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HB1 ))
      2.500     0.800     0.800 peak  2952 spectrum    1 weight  0.10000E+01 volume  0.91415E-02 ppm1      4.487 ppm2      2.782 CV     1
 ASSI { 2953}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 72   and name HA  ))
      5.200     3.300     0.800 peak  2953 spectrum    1 weight  0.10000E+01 volume  0.33868E-03 ppm1      4.475 ppm2      4.119 CV     1
 ASSI { 2954}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 67   and name HG2 ))
      4.300     2.300     1.700 peak  2954 spectrum    1 weight  0.10000E+01 volume  0.53630E-03 ppm1      2.165 ppm2      1.446 CV     1
 ASSI { 2955}
   (( segid "    " and resid 66   and name HB1 ))
   (  segid "    " and resid 72   and name HB% )
      2.900     1.100     1.100 peak  2955 spectrum    1 weight  0.10000E+01 volume  0.85171E-03 ppm1      2.156 ppm2      1.592 CV     1
 ASSI { 2956}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 40   and name H3A ))
      4.200     2.200     1.800 peak  2956 spectrum    1 weight  0.10000E+01 volume  0.33138E-03 ppm1      2.159 ppm2      1.171 CV     1
 OR { 2956}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 40   and name H3B ))
 ASSI { 2958}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 74   and name HN  ))
      5.700     4.100     0.300 peak  2958 spectrum    1 weight  0.10000E+01 volume  0.15985E-03 ppm1      0.409 ppm2      8.069 CV     1
 ASSI { 2960}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 66   and name HN  ))
      3.600     1.600     1.600 peak  2960 spectrum    1 weight  0.10000E+01 volume  0.21371E-02 ppm1      0.411 ppm2      7.717 CV     1
 ASSI { 2961}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 65   and name HN  ))
      3.300     1.400     1.400 peak  2961 spectrum    1 weight  0.10000E+01 volume  0.35796E-03 ppm1      0.410 ppm2      7.273 CV     1
 ASSI { 2965}
   (( segid "    " and resid 66   and name HG  ))
   (( segid "    " and resid 66   and name HN  ))
      2.600     0.800     0.800 peak  2965 spectrum    1 weight  0.10000E+01 volume  0.25741E-02 ppm1      1.798 ppm2      7.715 CV     1
 ASSI { 2966}
   (( segid "    " and resid 30   and name HG1 ))
   (( segid "    " and resid 30   and name HG2 ))
      1.700     0.400     0.500 peak  2966 spectrum    1 weight  0.10000E+01 volume  0.95558E-02 ppm1      1.805 ppm2      1.352 CV     1
 OR { 2966}
   (( segid "    " and resid 30   and name HG1 ))
   (( segid "    " and resid 30   and name HB2 ))
 ASSI { 2969}
   (  segid "    " and resid 66   and name HD1%)
   (  segid "    " and resid 75   and name HE% )
      5.200     3.300     0.800 peak  2969 spectrum    1 weight  0.10000E+01 volume  0.32098E-03 ppm1      0.410 ppm2      6.552 CV     1
 ASSI { 2972}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 71   and name HB2 ))
      6.000     4.700     0.000 peak  2972 spectrum    1 weight  0.10000E+01 volume  0.32994E-03 ppm1      0.419 ppm2      2.928 CV     1
 ASSI { 2975}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 65   and name HB2 ))
      4.900     3.000     1.100 peak  2975 spectrum    1 weight  0.10000E+01 volume  0.20784E-03 ppm1      0.408 ppm2      2.743 CV     1
 ASSI { 2976}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 62   and name HB2 ))
      3.900     1.900     1.900 peak  2976 spectrum    1 weight  0.10000E+01 volume  0.31869E-03 ppm1      0.416 ppm2      2.449 CV     1
 OR { 2976}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 62   and name HB1 ))
 ASSI { 2979}
   (  segid "    " and resid 66   and name HD1%)
   (  segid "    " and resid 72   and name HB% )
      2.900     1.000     1.000 peak  2979 spectrum    1 weight  0.10000E+01 volume  0.16301E-02 ppm1      0.412 ppm2      1.589 CV     1
 ASSI { 2981}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 66   and name HG  ))
      1.900     0.400     0.400 peak  2981 spectrum    1 weight  0.10000E+01 volume  0.13389E-01 ppm1      0.411 ppm2      1.795 CV     1
 ASSI { 2984}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 40   and name H3A ))
      4.400     2.500     1.600 peak  2984 spectrum    1 weight  0.10000E+01 volume  0.67379E-03 ppm1      0.410 ppm2      1.150 CV     1
 OR { 2984}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 40   and name H3B ))
 ASSI { 2993}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 71   and name HN  ))
      5.500     3.800     0.500 peak  2993 spectrum    1 weight  0.10000E+01 volume  0.30540E-03 ppm1      0.600 ppm2      8.333 CV     1
 ASSI { 2995}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 74   and name HN  ))
      5.400     3.700     0.600 peak  2995 spectrum    1 weight  0.10000E+01 volume  0.12571E-03 ppm1      0.601 ppm2      8.063 CV     1
 ASSI { 2996}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 75   and name HN  ))
      3.700     1.700     1.700 peak  2996 spectrum    1 weight  0.10000E+01 volume  0.90483E-03 ppm1      0.601 ppm2      7.943 CV     1
 ASSI { 2998}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 63   and name HN  ))
      3.200     3.200     2.800 peak  2998 spectrum    1 weight  0.10000E+01 volume  0.41455E-03 ppm1      0.599 ppm2      7.594 CV     1
 ASSI { 3000}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 65   and name HN  ))
      4.700     2.800     1.300 peak  3000 spectrum    1 weight  0.10000E+01 volume  0.24961E-03 ppm1      0.603 ppm2      7.272 CV     1
 ASSI { 3003}
   (  segid "    " and resid 66   and name HD2%)
   (  segid "    " and resid 75   and name HD% )
      3.300     1.400     1.400 peak  3003 spectrum    1 weight  0.10000E+01 volume  0.23726E-02 ppm1      0.603 ppm2      6.820 CV     1
 ASSI { 3004}
   (  segid "    " and resid 66   and name HD2%)
   (  segid "    " and resid 75   and name HE% )
      4.400     2.500     1.600 peak  3004 spectrum    1 weight  0.10000E+01 volume  0.72285E-03 ppm1      0.605 ppm2      6.548 CV     1
 ASSI { 3007}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 75   and name HA  ))
      4.900     3.000     1.100 peak  3007 spectrum    1 weight  0.10000E+01 volume  0.61619E-03 ppm1      0.600 ppm2      4.226 CV     1
 ASSI { 3008}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 72   and name HA  ))
      2.200     0.600     0.600 peak  3008 spectrum    1 weight  0.10000E+01 volume  0.39742E-02 ppm1      0.602 ppm2      4.113 CV     1
 ASSI { 3010}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 71   and name HB2 ))
      3.700     1.700     1.700 peak  3010 spectrum    1 weight  0.10000E+01 volume  0.28891E-02 ppm1      0.602 ppm2      2.922 CV     1
 ASSI { 3011}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 65   and name HB2 ))
      3.400     1.500     1.500 peak  3011 spectrum    1 weight  0.10000E+01 volume  0.67827E-03 ppm1      0.602 ppm2      2.741 CV     1
 ASSI { 3012}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 62   and name HB2 ))
      4.000     2.000     2.000 peak  3012 spectrum    1 weight  0.10000E+01 volume  0.27961E-03 ppm1      0.604 ppm2      2.415 CV     1
 OR { 3012}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 62   and name HB1 ))
 ASSI { 3014}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 40   and name H2B ))
      5.500     3.800     0.500 peak  3014 spectrum    1 weight  0.10000E+01 volume  0.35217E-03 ppm1      0.606 ppm2      2.259 CV     1
 OR { 3014}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 40   and name H2A ))
 ASSI { 3015}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 66   and name HB1 ))
      2.600     0.900     0.900 peak  3015 spectrum    1 weight  0.10000E+01 volume  0.21666E-02 ppm1      0.603 ppm2      2.161 CV     1
 ASSI { 3017}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 66   and name HG  ))
      2.200     0.600     0.600 peak  3017 spectrum    1 weight  0.10000E+01 volume  0.55183E-02 ppm1      0.601 ppm2      1.796 CV     1
 ASSI { 3018}
   (  segid "    " and resid 66   and name HD2%)
   (  segid "    " and resid 72   and name HB% )
      4.000     2.000     2.000 peak  3018 spectrum    1 weight  0.10000E+01 volume  0.15967E-02 ppm1      0.601 ppm2      1.584 CV     1
 ASSI { 3024}
   (  segid "    " and resid 66   and name HD2%)
   (  segid "    " and resid 66   and name HD1%)
      2.200     0.600     0.600 peak  3024 spectrum    1 weight  0.10000E+01 volume  0.93343E-02 ppm1      0.602 ppm2      0.407 CV     1
 ASSI { 3026}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HD1 ))
      2.900     1.000     1.000 peak  3026 spectrum    1 weight  0.10000E+01 volume  0.28461E-02 ppm1      2.063 ppm2      1.767 CV     1
 OR { 3026}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HD1 ))
 OR { 3026}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HD2 ))
 OR { 3026}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HD2 ))
 ASSI { 3027}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HG1 ))
      2.600     0.900     0.900 peak  3027 spectrum    1 weight  0.10000E+01 volume  0.37706E-02 ppm1      2.064 ppm2      1.576 CV     1
 OR { 3027}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HG1 ))
 ASSI { 3028}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HG2 ))
      2.700     0.900     0.900 peak  3028 spectrum    1 weight  0.10000E+01 volume  0.34462E-02 ppm1      2.063 ppm2      1.464 CV     1
 OR { 3028}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HG2 ))
 ASSI { 3029}
   (( segid "    " and resid 67   and name HB2 ))
   (  segid "    " and resid 68   and name HG2%)
      2.900     1.100     1.100 peak  3029 spectrum    1 weight  0.10000E+01 volume  0.26585E-02 ppm1      2.062 ppm2      1.061 CV     1
 OR { 3029}
   (( segid "    " and resid 67   and name HB1 ))
   (  segid "    " and resid 68   and name HG2%)
 ASSI { 3031}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HG2 ))
      3.200     1.300     1.300 peak  3031 spectrum    1 weight  0.10000E+01 volume  0.26417E-02 ppm1      4.484 ppm2      1.460 CV     1
 ASSI { 3034}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HB1 ))
      2.300     0.700     0.700 peak  3034 spectrum    1 weight  0.10000E+01 volume  0.75099E-02 ppm1      4.486 ppm2      2.061 CV     1
 OR { 3034}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HB2 ))
 ASSI { 3035}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HE1 ))
      4.100     2.100     1.900 peak  3035 spectrum    1 weight  0.10000E+01 volume  0.62067E-03 ppm1      2.062 ppm2      3.111 CV     1
 OR { 3035}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HE2 ))
 OR { 3035}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HE1 ))
 OR { 3035}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HE2 ))
 ASSI { 3038}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 68   and name HA  ))
      4.400     2.400     1.600 peak  3038 spectrum    1 weight  0.10000E+01 volume  0.25418E-03 ppm1      2.058 ppm2      5.251 CV     1
 OR { 3038}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 68   and name HA  ))
 ASSI { 3041}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 68   and name HA  ))
      3.900     1.900     1.900 peak  3041 spectrum    1 weight  0.10000E+01 volume  0.39107E-03 ppm1      4.478 ppm2      5.249 CV     1
 ASSI { 3044}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 68   and name HN  ))
      3.500     1.500     1.500 peak  3044 spectrum    1 weight  0.10000E+01 volume  0.89437E-03 ppm1      4.484 ppm2      8.609 CV     1
 ASSI { 3048}
   (( segid "    " and resid 67   and name HE1 ))
   (( segid "    " and resid 67   and name HD1 ))
      2.600     0.800     0.800 peak  3048 spectrum    1 weight  0.10000E+01 volume  0.45200E-02 ppm1      3.098 ppm2      1.768 CV     1
 OR { 3048}
   (( segid "    " and resid 67   and name HE2 ))
   (( segid "    " and resid 67   and name HD2 ))
 OR { 3048}
   (( segid "    " and resid 67   and name HE1 ))
   (( segid "    " and resid 67   and name HD2 ))
 OR { 3048}
   (( segid "    " and resid 67   and name HE2 ))
   (( segid "    " and resid 67   and name HD1 ))
 ASSI { 3049}
   (( segid "    " and resid 67   and name HE2 ))
   (( segid "    " and resid 67   and name HG1 ))
      3.400     1.400     1.400 peak  3049 spectrum    1 weight  0.10000E+01 volume  0.14484E-02 ppm1      3.097 ppm2      1.577 CV     1
 OR { 3049}
   (( segid "    " and resid 67   and name HE1 ))
   (( segid "    " and resid 67   and name HG1 ))
 ASSI { 3050}
   (( segid "    " and resid 67   and name HE2 ))
   (( segid "    " and resid 67   and name HG2 ))
      3.100     1.200     1.200 peak  3050 spectrum    1 weight  0.10000E+01 volume  0.15590E-02 ppm1      3.098 ppm2      1.464 CV     1
 OR { 3050}
   (( segid "    " and resid 67   and name HE1 ))
   (( segid "    " and resid 67   and name HG2 ))
 ASSI { 3055}
   (( segid "    " and resid 67   and name HD2 ))
   (( segid "    " and resid 68   and name HN  ))
      5.400     3.600     0.600 peak  3055 spectrum    1 weight  0.10000E+01 volume  0.20120E-03 ppm1      1.765 ppm2      8.613 CV     1
 OR { 3055}
   (( segid "    " and resid 67   and name HD1 ))
   (( segid "    " and resid 68   and name HN  ))
 ASSI { 3056}
   (( segid "    " and resid 27   and name HD1 ))
   (( segid "    " and resid 29   and name HN  ))
      5.400     3.700     0.600 peak  3056 spectrum    1 weight  0.10000E+01 volume  0.18991E-03 ppm1      1.760 ppm2      8.391 CV     1
 ASSI { 3057}
   (( segid "    " and resid 67   and name HD1 ))
   (( segid "    " and resid 67   and name HN  ))
      4.700     2.700     1.300 peak  3057 spectrum    1 weight  0.10000E+01 volume  0.67270E-03 ppm1      1.768 ppm2      8.211 CV     1
 OR { 3057}
   (( segid "    " and resid 67   and name HD2 ))
   (( segid "    " and resid 67   and name HN  ))
 ASSI { 3058}
   (( segid "    " and resid 74   and name HD1 ))
   (( segid "    " and resid 74   and name HN  ))
      4.800     2.800     1.200 peak  3058 spectrum    1 weight  0.10000E+01 volume  0.32040E-03 ppm1      1.770 ppm2      8.042 CV     1
 ASSI { 3063}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HN  ))
      2.900     1.000     1.000 peak  3063 spectrum    1 weight  0.10000E+01 volume  0.11643E-02 ppm1      1.464 ppm2      8.205 CV     1
 ASSI { 3069}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HD1 ))
      2.200     0.600     0.600 peak  3069 spectrum    1 weight  0.10000E+01 volume  0.93736E-02 ppm1      1.577 ppm2      1.764 CV     1
 OR { 3069}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HD2 ))
 ASSI { 3071}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HD2 ))
      2.300     0.700     0.700 peak  3071 spectrum    1 weight  0.10000E+01 volume  0.77474E-02 ppm1      1.461 ppm2      1.760 CV     1
 OR { 3071}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HD1 ))
 ASSI { 3074}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HN  ))
      2.700     0.900     0.900 peak  3074 spectrum    1 weight  0.10000E+01 volume  0.18448E-02 ppm1      5.247 ppm2      8.600 CV     1
 ASSI { 3075}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      2.500     0.800     0.800 peak  3075 spectrum    1 weight  0.10000E+01 volume  0.31810E-02 ppm1      5.247 ppm2      8.221 CV     1
 ASSI { 3076}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 69   and name HN  ))
      2.100     0.500     0.500 peak  3076 spectrum    1 weight  0.10000E+01 volume  0.62369E-02 ppm1      5.248 ppm2      8.138 CV     1
 ASSI { 3078}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      4.700     2.800     1.300 peak  3078 spectrum    1 weight  0.10000E+01 volume  0.29676E-03 ppm1      5.241 ppm2      7.507 CV     1
 ASSI { 3079}
   (( segid "    " and resid 68   and name HA  ))
   (  segid "    " and resid 32   and name HD% )
      3.300     1.300     1.300 peak  3079 spectrum    1 weight  0.10000E+01 volume  0.72148E-03 ppm1      5.245 ppm2      7.191 CV     1
 ASSI { 3080}
   (( segid "    " and resid 68   and name HA  ))
   (  segid "    " and resid 32   and name HE% )
      4.500     2.500     1.500 peak  3080 spectrum    1 weight  0.10000E+01 volume  0.41222E-03 ppm1      5.255 ppm2      6.971 CV     1
 ASSI { 3081}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 70   and name HN  ))
      4.300     2.300     1.700 peak  3081 spectrum    1 weight  0.10000E+01 volume  0.61450E-03 ppm1      5.250 ppm2      9.415 CV     1
 ASSI { 3082}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 68   and name HN  ))
      3.700     1.700     1.700 peak  3082 spectrum    1 weight  0.10000E+01 volume  0.90223E-03 ppm1      4.352 ppm2      8.602 CV     1
 ASSI { 3083}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 70   and name HN  ))
      2.500     0.800     0.800 peak  3083 spectrum    1 weight  0.10000E+01 volume  0.30850E-02 ppm1      4.354 ppm2      9.410 CV     1
 ASSI { 3084}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 30   and name HN  ))
      3.900     1.900     1.900 peak  3084 spectrum    1 weight  0.10000E+01 volume  0.44808E-03 ppm1      4.355 ppm2      7.501 CV     1
 ASSI { 3085}
   (( segid "    " and resid 68   and name HB  ))
   (  segid "    " and resid 32   and name HE% )
      6.000     5.700     0.000 peak  3085 spectrum    1 weight  0.10000E+01 volume  0.95211E-04 ppm1      4.350 ppm2      6.992 CV     1
 ASSI { 3086}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 71   and name HN  ))
      3.300     1.300     1.300 peak  3086 spectrum    1 weight  0.10000E+01 volume  0.95745E-03 ppm1      4.350 ppm2      8.343 CV     1
 ASSI { 3087}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 32   and name HN  ))
      4.500     2.600     1.500 peak  3087 spectrum    1 weight  0.10000E+01 volume  0.88903E-03 ppm1      4.356 ppm2      8.244 CV     1
 ASSI { 3088}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 69   and name HN  ))
      2.100     0.500     0.500 peak  3088 spectrum    1 weight  0.10000E+01 volume  0.67229E-02 ppm1      4.352 ppm2      8.138 CV     1
 ASSI { 3090}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 68   and name HG1 ))
      3.300     1.400     1.400 peak  3090 spectrum    1 weight  0.10000E+01 volume  0.70015E-03 ppm1      4.352 ppm2      5.363 CV     1
 ASSI { 3091}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 68   and name HA  ))
      2.300     0.600     0.600 peak  3091 spectrum    1 weight  0.10000E+01 volume  0.53964E-02 ppm1      4.353 ppm2      5.248 CV     1
 ASSI { 3092}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 31   and name HA  ))
      3.800     1.800     1.800 peak  3092 spectrum    1 weight  0.10000E+01 volume  0.90725E-03 ppm1      4.351 ppm2      4.905 CV     1
 ASSI { 3093}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 70   and name HA1 ))
      3.800     1.800     1.800 peak  3093 spectrum    1 weight  0.10000E+01 volume  0.74313E-03 ppm1      4.351 ppm2      4.008 CV     1
 ASSI { 3096}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 28   and name HA  ))
      4.700     2.700     1.300 peak  3096 spectrum    1 weight  0.10000E+01 volume  0.62702E-03 ppm1      4.353 ppm2      3.587 CV     1
 ASSI { 3097}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 69   and name HA  ))
      4.400     2.400     1.600 peak  3097 spectrum    1 weight  0.10000E+01 volume  0.43748E-03 ppm1      4.344 ppm2      3.384 CV     1
 ASSI { 3100}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
      4.900     2.900     1.100 peak  3100 spectrum    1 weight  0.10000E+01 volume  0.54873E-03 ppm1      5.241 ppm2      3.863 CV     1
 ASSI { 3101}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 69   and name HA  ))
      3.800     1.800     1.800 peak  3101 spectrum    1 weight  0.10000E+01 volume  0.60596E-03 ppm1      5.249 ppm2      3.380 CV     1
 ASSI { 3104}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HG1 ))
      4.100     2.100     1.900 peak  3104 spectrum    1 weight  0.10000E+01 volume  0.70586E-03 ppm1      5.249 ppm2      5.365 CV     1
 ASSI { 3106}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 66   and name HB1 ))
      5.100     3.200     0.900 peak  3106 spectrum    1 weight  0.10000E+01 volume  0.14315E-03 ppm1      5.259 ppm2      2.182 CV     1
 ASSI { 3111}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 40   and name H3A ))
      4.000     2.000     2.000 peak  3111 spectrum    1 weight  0.10000E+01 volume  0.24705E-03 ppm1      5.251 ppm2      1.175 CV     1
 ASSI { 3112}
   (( segid "    " and resid 68   and name HA  ))
   (  segid "    " and resid 68   and name HG2%)
      2.500     0.800     0.800 peak  3112 spectrum    1 weight  0.10000E+01 volume  0.57184E-02 ppm1      5.248 ppm2      1.058 CV     1
 ASSI { 3114}
   (( segid "    " and resid 68   and name HA  ))
   (  segid "    " and resid 69   and name HG1%)
      4.300     2.300     1.700 peak  3114 spectrum    1 weight  0.10000E+01 volume  0.13966E-02 ppm1      5.248 ppm2      0.438 CV     1
 ASSI { 3115}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      5.100     3.300     0.900 peak  3115 spectrum    1 weight  0.10000E+01 volume  0.29190E-03 ppm1      5.248 ppm2     10.155 CV     1
 ASSI { 3116}
   (( segid "    " and resid 68   and name HB  ))
   (  segid "    " and resid 69   and name HG1%)
      4.400     2.400     1.600 peak  3116 spectrum    1 weight  0.10000E+01 volume  0.15277E-02 ppm1      4.353 ppm2      0.442 CV     1
 ASSI { 3117}
   (( segid "    " and resid 68   and name HB  ))
   (  segid "    " and resid 69   and name HG2%)
      5.100     3.200     0.900 peak  3117 spectrum    1 weight  0.10000E+01 volume  0.52484E-03 ppm1      4.351 ppm2      0.636 CV     1
 ASSI { 3118}
   (( segid "    " and resid 68   and name HB  ))
   (  segid "    " and resid 68   and name HG2%)
      2.100     0.600     0.600 peak  3118 spectrum    1 weight  0.10000E+01 volume  0.10121E-01 ppm1      4.353 ppm2      1.060 CV     1
 ASSI { 3121}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 69   and name HB  ))
      3.700     1.700     1.700 peak  3121 spectrum    1 weight  0.10000E+01 volume  0.15919E-02 ppm1      4.352 ppm2      2.277 CV     1
 ASSI { 3123}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 40   and name H3A ))
      4.800     2.800     1.200 peak  3123 spectrum    1 weight  0.10000E+01 volume  0.22592E-03 ppm1      4.348 ppm2      1.177 CV     1
 ASSI { 3124}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 68   and name HG1 ))
      3.200     1.300     1.300 peak  3124 spectrum    1 weight  0.10000E+01 volume  0.11756E-02 ppm1      1.063 ppm2      5.361 CV     1
 ASSI { 3128}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 66   and name HA  ))
      3.900     1.900     1.900 peak  3128 spectrum    1 weight  0.10000E+01 volume  0.23594E-02 ppm1      1.062 ppm2      4.485 CV     1
 ASSI { 3134}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 70   and name HN  ))
      4.200     2.200     1.800 peak  3134 spectrum    1 weight  0.10000E+01 volume  0.76963E-03 ppm1      1.063 ppm2      9.409 CV     1
 ASSI { 3135}
   (  segid "    " and resid 68   and name HG2%)
   (  segid "    " and resid 32   and name HE% )
      5.900     4.300     0.100 peak  3135 spectrum    1 weight  0.10000E+01 volume  0.17973E-03 ppm1      1.071 ppm2      6.991 CV     1
 ASSI { 3143}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 31   and name HN  ))
      3.800     1.800     1.800 peak  3143 spectrum    1 weight  0.10000E+01 volume  0.52342E-03 ppm1      1.063 ppm2     10.157 CV     1
 ASSI { 3144}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 69   and name HA  ))
      2.100     0.600     0.600 peak  3144 spectrum    1 weight  0.10000E+01 volume  0.70138E-02 ppm1      0.443 ppm2      3.385 CV     1
 ASSI { 3155}
   (  segid "    " and resid 69   and name HG1%)
   (  segid "    " and resid 26   and name HG1%)
      2.100     0.600     0.600 peak  3155 spectrum    1 weight  0.10000E+01 volume  0.91566E-02 ppm1      0.442 ppm2      0.717 CV     1
 ASSI { 3162}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 30   and name HB2 ))
      3.300     1.300     1.300 peak  3162 spectrum    1 weight  0.10000E+01 volume  0.17874E-02 ppm1      0.443 ppm2      1.379 CV     1
 ASSI { 3163}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 11   and name HB2 ))
      3.400     1.400     1.400 peak  3163 spectrum    1 weight  0.10000E+01 volume  0.68343E-03 ppm1      0.440 ppm2      1.282 CV     1
 ASSI { 3164}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 40   and name H3A ))
      5.500     3.800     0.500 peak  3164 spectrum    1 weight  0.10000E+01 volume  0.10136E-03 ppm1      0.443 ppm2      1.172 CV     1
 OR { 3164}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 40   and name H3B ))
 ASSI { 3166}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 69   and name HB  ))
      2.000     0.500     0.500 peak  3166 spectrum    1 weight  0.10000E+01 volume  0.91232E-02 ppm1      0.444 ppm2      2.275 CV     1
 ASSI { 3172}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 11   and name HB2 ))
      3.700     1.700     1.700 peak  3172 spectrum    1 weight  0.10000E+01 volume  0.12118E-02 ppm1      0.649 ppm2      1.274 CV     1
 ASSI { 3174}
   (  segid "    " and resid 69   and name HG2%)
   (  segid "    " and resid 69   and name HG1%)
      2.100     0.500     0.500 peak  3174 spectrum    1 weight  0.10000E+01 volume  0.12405E-01 ppm1      0.649 ppm2      0.444 CV     1
 ASSI { 3181}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 70   and name HA2 ))
      4.300     2.300     1.700 peak  3181 spectrum    1 weight  0.10000E+01 volume  0.25615E-03 ppm1      0.440 ppm2      3.822 CV     1
 ASSI { 3185}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 70   and name HA2 ))
      4.100     2.100     1.900 peak  3185 spectrum    1 weight  0.10000E+01 volume  0.84084E-03 ppm1      0.652 ppm2      3.793 CV     1
 ASSI { 3192}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 70   and name HA2 ))
      4.800     2.800     1.200 peak  3192 spectrum    1 weight  0.10000E+01 volume  0.18247E-03 ppm1      3.380 ppm2      3.753 CV     1
 ASSI { 3206}
   (( segid "    " and resid 69   and name HB  ))
   (( segid "    " and resid 68   and name HA  ))
      4.700     2.800     1.300 peak  3206 spectrum    1 weight  0.10000E+01 volume  0.48026E-03 ppm1      2.276 ppm2      5.249 CV     1
 ASSI { 3208}
   (  segid "    " and resid 69   and name HG2%)
   (  segid "    " and resid 32   and name HD% )
      3.600     1.600     1.600 peak  3208 spectrum    1 weight  0.10000E+01 volume  0.60272E-03 ppm1      0.665 ppm2      7.190 CV     1
 ASSI { 3209}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 30   and name HN  ))
      3.800     1.800     1.800 peak  3209 spectrum    1 weight  0.10000E+01 volume  0.97344E-03 ppm1      0.443 ppm2      7.494 CV     1
 ASSI { 3210}
   (  segid "    " and resid 69   and name HG1%)
   (  segid "    " and resid 32   and name HD% )
      4.400     2.400     1.600 peak  3210 spectrum    1 weight  0.10000E+01 volume  0.80274E-03 ppm1      0.443 ppm2      7.195 CV     1
 ASSI { 3212}
   (  segid "    " and resid 69   and name HG1%)
   (  segid "    " and resid 32   and name HE% )
      3.000     1.200     1.200 peak  3212 spectrum    1 weight  0.10000E+01 volume  0.23013E-02 ppm1      0.443 ppm2      6.987 CV     1
 ASSI { 3214}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 27   and name HN  ))
      3.400     1.500     1.500 peak  3214 spectrum    1 weight  0.10000E+01 volume  0.99395E-03 ppm1      0.442 ppm2      6.351 CV     1
 ASSI { 3215}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 32   and name HD% )
      3.900     1.900     1.900 peak  3215 spectrum    1 weight  0.10000E+01 volume  0.50903E-03 ppm1      3.390 ppm2      7.195 CV     1
 ASSI { 3217}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 32   and name HE% )
      2.000     0.500     0.500 peak  3217 spectrum    1 weight  0.10000E+01 volume  0.34734E-02 ppm1      3.387 ppm2      6.986 CV     1
 ASSI { 3218}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 32   and name HZ  ))
      3.200     1.300     1.300 peak  3218 spectrum    1 weight  0.10000E+01 volume  0.45371E-02 ppm1      3.386 ppm2      6.849 CV     1
 ASSI { 3220}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HN  ))
      2.400     0.700     0.700 peak  3220 spectrum    1 weight  0.10000E+01 volume  0.30719E-02 ppm1      3.387 ppm2      8.148 CV     1
 ASSI { 3221}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 70   and name HN  ))
      3.300     1.400     1.400 peak  3221 spectrum    1 weight  0.10000E+01 volume  0.80909E-03 ppm1      3.385 ppm2      9.410 CV     1
 ASSI { 3223}
   (( segid "    " and resid 69   and name HB  ))
   (( segid "    " and resid 70   and name HN  ))
      2.300     0.700     0.700 peak  3223 spectrum    1 weight  0.10000E+01 volume  0.26773E-02 ppm1      2.278 ppm2      9.409 CV     1
 ASSI { 3225}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 70   and name HN  ))
      4.100     2.100     1.900 peak  3225 spectrum    1 weight  0.10000E+01 volume  0.12041E-02 ppm1      0.651 ppm2      9.407 CV     1
 ASSI { 3226}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 11   and name HN  ))
      5.300     3.600     0.700 peak  3226 spectrum    1 weight  0.10000E+01 volume  0.20175E-03 ppm1      0.647 ppm2      9.237 CV     1
 ASSI { 3227}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 70   and name HN  ))
      3.800     1.800     1.800 peak  3227 spectrum    1 weight  0.10000E+01 volume  0.10565E-02 ppm1      0.443 ppm2      9.408 CV     1
 ASSI { 3230}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 32   and name HN  ))
      4.900     2.900     1.100 peak  3230 spectrum    1 weight  0.10000E+01 volume  0.48679E-03 ppm1      0.444 ppm2      8.255 CV     1
 ASSI { 3231}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 69   and name HN  ))
      3.000     1.100     1.100 peak  3231 spectrum    1 weight  0.10000E+01 volume  0.80014E-02 ppm1      0.443 ppm2      8.140 CV     1
 ASSI { 3232}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 74   and name HN  ))
      4.500     2.600     1.500 peak  3232 spectrum    1 weight  0.10000E+01 volume  0.41482E-03 ppm1      0.442 ppm2      8.017 CV     1
 ASSI { 3243}
   (( segid "    " and resid 70   and name HA1 ))
   (( segid "    " and resid 73   and name HB  ))
      4.100     2.100     1.900 peak  3243 spectrum    1 weight  0.10000E+01 volume  0.16196E-02 ppm1      4.009 ppm2      4.194 CV     1
 ASSI { 3244}
   (( segid "    " and resid 70   and name HA2 ))
   (( segid "    " and resid 73   and name HB  ))
      2.400     0.700     0.700 peak  3244 spectrum    1 weight  0.10000E+01 volume  0.27423E-02 ppm1      3.795 ppm2      4.190 CV     1
 ASSI { 3247}
   (( segid "    " and resid 70   and name HA1 ))
   (( segid "    " and resid 28   and name HA  ))
      3.300     1.300     1.300 peak  3247 spectrum    1 weight  0.10000E+01 volume  0.11572E-02 ppm1      4.012 ppm2      3.596 CV     1
 ASSI { 3249}
   (( segid "    " and resid 70   and name HA1 ))
   (( segid "    " and resid 69   and name HB  ))
      4.900     3.000     1.100 peak  3249 spectrum    1 weight  0.10000E+01 volume  0.54950E-03 ppm1      4.017 ppm2      2.280 CV     1
 ASSI { 3251}
   (( segid "    " and resid 70   and name HA1 ))
   (( segid "    " and resid 28   and name HB1 ))
      4.400     2.400     1.600 peak  3251 spectrum    1 weight  0.10000E+01 volume  0.70353E-03 ppm1      4.013 ppm2      1.752 CV     1
 OR { 3251}
   (( segid "    " and resid 70   and name HA1 ))
   (( segid "    " and resid 28   and name HG  ))
 ASSI { 3254}
   (( segid "    " and resid 70   and name HA1 ))
   (( segid "    " and resid 28   and name HB2 ))
      3.000     1.100     1.100 peak  3254 spectrum    1 weight  0.10000E+01 volume  0.13054E-02 ppm1      4.010 ppm2      1.461 CV     1
 ASSI { 3257}
   (( segid "    " and resid 70   and name HA1 ))
   (  segid "    " and resid 28   and name HD2%)
      4.500     2.500     1.500 peak  3257 spectrum    1 weight  0.10000E+01 volume  0.70609E-03 ppm1      4.009 ppm2      0.912 CV     1
 ASSI { 3271}
   (( segid "    " and resid 70   and name HA1 ))
   (( segid "    " and resid 74   and name HN  ))
      4.500     2.600     1.500 peak  3271 spectrum    1 weight  0.10000E+01 volume  0.42257E-03 ppm1      4.016 ppm2      8.043 CV     1
 ASSI { 3272}
   (( segid "    " and resid 70   and name HA2 ))
   (( segid "    " and resid 73   and name HN  ))
      3.500     1.500     1.500 peak  3272 spectrum    1 weight  0.10000E+01 volume  0.75460E-03 ppm1      3.793 ppm2      8.644 CV     1
 ASSI { 3273}
   (( segid "    " and resid 70   and name HA2 ))
   (( segid "    " and resid 71   and name HN  ))
      3.500     1.500     1.500 peak  3273 spectrum    1 weight  0.10000E+01 volume  0.97038E-03 ppm1      3.796 ppm2      8.341 CV     1
 ASSI { 3275}
   (( segid "    " and resid 70   and name HA2 ))
   (( segid "    " and resid 74   and name HN  ))
      3.800     1.800     1.800 peak  3275 spectrum    1 weight  0.10000E+01 volume  0.63835E-03 ppm1      3.795 ppm2      8.043 CV     1
 ASSI { 3276}
   (( segid "    " and resid 70   and name HA2 ))
   (( segid "    " and resid 70   and name HN  ))
      2.700     0.900     0.900 peak  3276 spectrum    1 weight  0.10000E+01 volume  0.32652E-02 ppm1      3.797 ppm2      9.409 CV     1
 ASSI { 3278}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HN  ))
      2.800     1.000     1.000 peak  3278 spectrum    1 weight  0.10000E+01 volume  0.29784E-02 ppm1      4.507 ppm2      8.344 CV     1
 ASSI { 3284}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
      3.300     1.300     1.300 peak  3284 spectrum    1 weight  0.10000E+01 volume  0.12104E-02 ppm1      4.507 ppm2      8.041 CV     1
 ASSI { 3285}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
      4.900     2.900     1.100 peak  3285 spectrum    1 weight  0.10000E+01 volume  0.20628E-03 ppm1      4.505 ppm2      7.946 CV     1
 ASSI { 3289}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HB2 ))
      2.300     0.700     0.700 peak  3289 spectrum    1 weight  0.10000E+01 volume  0.60254E-02 ppm1      4.507 ppm2      2.923 CV     1
 ASSI { 3295}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 72   and name HB% )
      4.800     2.900     1.200 peak  3295 spectrum    1 weight  0.10000E+01 volume  0.47062E-03 ppm1      2.924 ppm2      1.596 CV     1
 ASSI { 3296}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 66   and name HG  ))
      6.000     6.000     0.000 peak  3296 spectrum    1 weight  0.10000E+01 volume  0.37601E-04 ppm1      3.125 ppm2      1.810 CV     1
 ASSI { 3298}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 74   and name HB1 ))
      2.900     1.000     1.000 peak  3298 spectrum    1 weight  0.10000E+01 volume  0.24442E-02 ppm1      4.506 ppm2      1.970 CV     1
 ASSI { 3304}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 72   and name HN  ))
      2.200     0.600     0.600 peak  3304 spectrum    1 weight  0.10000E+01 volume  0.52319E-02 ppm1      1.589 ppm2      8.191 CV     1
 ASSI { 3308}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 74   and name HN  ))
      4.600     2.600     1.400 peak  3308 spectrum    1 weight  0.10000E+01 volume  0.41682E-03 ppm1      1.594 ppm2      8.066 CV     1
 ASSI { 3310}
   (  segid "    " and resid 72   and name HB% )
   (  segid "    " and resid 32   and name HD% )
      3.000     3.000     3.000 peak  3310 spectrum    1 weight  0.10000E+01 volume  0.58783E-03 ppm1      1.590 ppm2      7.198 CV     1
 ASSI { 3311}
   (  segid "    " and resid 72   and name HB% )
   (  segid "    " and resid 54   and name HE% )
      5.800     4.200     0.200 peak  3311 spectrum    1 weight  0.10000E+01 volume  0.16485E-03 ppm1      1.592 ppm2      7.107 CV     1
 ASSI { 3312}
   (  segid "    " and resid 72   and name HB% )
   (  segid "    " and resid 32   and name HE% )
      2.600     0.900     0.900 peak  3312 spectrum    1 weight  0.10000E+01 volume  0.37296E-02 ppm1      1.590 ppm2      6.986 CV     1
 ASSI { 3314}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HN  ))
      2.500     0.800     0.800 peak  3314 spectrum    1 weight  0.10000E+01 volume  0.26817E-02 ppm1      4.115 ppm2      8.181 CV     1
 ASSI { 3315}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 73   and name HN  ))
      3.200     1.300     1.300 peak  3315 spectrum    1 weight  0.10000E+01 volume  0.93694E-03 ppm1      4.112 ppm2      8.645 CV     1
 ASSI { 3318}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 71   and name HN  ))
      5.200     3.300     0.800 peak  3318 spectrum    1 weight  0.10000E+01 volume  0.23192E-03 ppm1      4.123 ppm2      8.316 CV     1
 ASSI { 3319}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
      3.600     1.600     1.600 peak  3319 spectrum    1 weight  0.10000E+01 volume  0.49063E-03 ppm1      4.112 ppm2      8.045 CV     1
 ASSI { 3323}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 75   and name HD% )
      4.000     2.000     2.000 peak  3323 spectrum    1 weight  0.10000E+01 volume  0.72340E-03 ppm1      4.114 ppm2      6.825 CV     1
 ASSI { 3326}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 72   and name HA  ))
      2.000     0.500     0.500 peak  3326 spectrum    1 weight  0.10000E+01 volume  0.69321E-02 ppm1      1.591 ppm2      4.114 CV     1
 ASSI { 3327}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 73   and name HA  ))
      3.400     1.400     1.400 peak  3327 spectrum    1 weight  0.10000E+01 volume  0.11425E-02 ppm1      1.593 ppm2      3.663 CV     1
 ASSI { 3329}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 71   and name HB1 ))
      2.800     1.000     1.000 peak  3329 spectrum    1 weight  0.10000E+01 volume  0.39042E-02 ppm1      4.115 ppm2      3.123 CV     1
 ASSI { 3330}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 71   and name HB2 ))
      3.100     3.100     2.900 peak  3330 spectrum    1 weight  0.10000E+01 volume  0.50798E-03 ppm1      4.131 ppm2      2.935 CV     1
 ASSI { 3336}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 73   and name HA  ))
      4.000     2.000     2.000 peak  3336 spectrum    1 weight  0.10000E+01 volume  0.32833E-03 ppm1      4.118 ppm2      3.672 CV     1
 ASSI { 3338}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 66   and name HB1 ))
      2.900     1.100     1.100 peak  3338 spectrum    1 weight  0.10000E+01 volume  0.81078E-03 ppm1      4.113 ppm2      2.158 CV     1
 ASSI { 3349}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 66   and name HD1%)
      2.000     0.500     0.500 peak  3349 spectrum    1 weight  0.10000E+01 volume  0.36867E-02 ppm1      4.115 ppm2      0.410 CV     1
 ASSI { 3350}
   (  segid "    " and resid 72   and name HB% )
   (  segid "    " and resid 40   and name H6% )
      2.500     0.800     0.800 peak  3350 spectrum    1 weight  0.10000E+01 volume  0.50305E-02 ppm1      1.590 ppm2      0.625 CV     1
 ASSI { 3352}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 40   and name H5A ))
      3.200     1.300     1.300 peak  3352 spectrum    1 weight  0.10000E+01 volume  0.21626E-02 ppm1      1.589 ppm2      0.967 CV     1
 OR { 3352}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 40   and name H5B ))
 ASSI { 3353}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 40   and name H4B ))
      2.100     0.600     0.600 peak  3353 spectrum    1 weight  0.10000E+01 volume  0.62428E-02 ppm1      1.591 ppm2      0.857 CV     1
 OR { 3353}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 40   and name H4A ))
 ASSI { 3355}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 58   and name HB  ))
      5.800     4.300     0.200 peak  3355 spectrum    1 weight  0.10000E+01 volume  0.20850E-03 ppm1      4.111 ppm2      1.721 CV     1
 ASSI { 3360}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HN  ))
      2.800     1.000     1.000 peak  3360 spectrum    1 weight  0.10000E+01 volume  0.18674E-02 ppm1      3.678 ppm2      8.645 CV     1
 ASSI { 3362}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
      3.800     1.800     1.800 peak  3362 spectrum    1 weight  0.10000E+01 volume  0.38833E-03 ppm1      3.688 ppm2      8.040 CV     1
 ASSI { 3363}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 72   and name HN  ))
      4.500     2.500     1.500 peak  3363 spectrum    1 weight  0.10000E+01 volume  0.50698E-03 ppm1      4.190 ppm2      8.158 CV     1
 ASSI { 3364}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 74   and name HN  ))
      2.600     0.800     0.800 peak  3364 spectrum    1 weight  0.10000E+01 volume  0.35613E-02 ppm1      4.188 ppm2      8.040 CV     1
 ASSI { 3365}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 75   and name HN  ))
      4.900     3.000     1.100 peak  3365 spectrum    1 weight  0.10000E+01 volume  0.40881E-03 ppm1      4.180 ppm2      7.927 CV     1
 ASSI { 3368}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 73   and name HN  ))
      2.400     0.700     0.700 peak  3368 spectrum    1 weight  0.10000E+01 volume  0.40293E-02 ppm1      4.189 ppm2      8.643 CV     1
 ASSI { 3370}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 70   and name HA2 ))
      4.100     2.100     1.900 peak  3370 spectrum    1 weight  0.10000E+01 volume  0.10757E-02 ppm1      3.675 ppm2      3.791 CV     1
 ASSI { 3371}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 28   and name HA  ))
      5.200     3.400     0.800 peak  3371 spectrum    1 weight  0.10000E+01 volume  0.23944E-03 ppm1      4.189 ppm2      3.534 CV     1
 ASSI { 3374}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 73   and name HG2%)
      2.300     0.700     0.700 peak  3374 spectrum    1 weight  0.10000E+01 volume  0.51447E-02 ppm1      3.679 ppm2      1.106 CV     1
 ASSI { 3378}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 4    and name HG1 ))
      5.300     3.500     0.700 peak  3378 spectrum    1 weight  0.10000E+01 volume  0.22579E-03 ppm1      4.200 ppm2      2.215 CV     1
 ASSI { 3379}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 74   and name HB1 ))
      4.100     2.100     1.900 peak  3379 spectrum    1 weight  0.10000E+01 volume  0.48250E-03 ppm1      4.193 ppm2      1.929 CV     1
 OR { 3379}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 74   and name HB2 ))
 ASSI { 3388}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 72   and name HN  ))
      4.400     2.400     1.600 peak  3388 spectrum    1 weight  0.10000E+01 volume  0.45375E-03 ppm1      1.974 ppm2      8.161 CV     1
 ASSI { 3390}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 74   and name HN  ))
      2.300     0.600     0.600 peak  3390 spectrum    1 weight  0.10000E+01 volume  0.46806E-02 ppm1      1.906 ppm2      8.045 CV     1
 ASSI { 3391}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 75   and name HN  ))
      2.900     1.100     1.100 peak  3391 spectrum    1 weight  0.10000E+01 volume  0.13001E-02 ppm1      1.976 ppm2      7.941 CV     1
 ASSI { 3398}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 74   and name HA  ))
      2.400     0.700     0.700 peak  3398 spectrum    1 weight  0.10000E+01 volume  0.44587E-02 ppm1      1.906 ppm2      3.944 CV     1
 ASSI { 3399}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HG2 ))
      2.900     1.100     1.100 peak  3399 spectrum    1 weight  0.10000E+01 volume  0.29245E-02 ppm1      3.941 ppm2      1.476 CV     1
 OR { 3399}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HG1 ))
 ASSI { 3400}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HB1 ))
      2.600     0.900     0.900 peak  3400 spectrum    1 weight  0.10000E+01 volume  0.51872E-02 ppm1      3.942 ppm2      1.976 CV     1
 ASSI { 3411}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 73   and name HN  ))
      5.200     3.400     0.800 peak  3411 spectrum    1 weight  0.10000E+01 volume  0.28543E-03 ppm1      3.945 ppm2      8.632 CV     1
 ASSI { 3412}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
      3.800     1.800     1.800 peak  3412 spectrum    1 weight  0.10000E+01 volume  0.50017E-03 ppm1      3.947 ppm2      8.278 CV     1
 ASSI { 3416}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 74   and name HG1 ))
      2.600     0.800     0.800 peak  3416 spectrum    1 weight  0.10000E+01 volume  0.31076E-02 ppm1      1.976 ppm2      1.468 CV     1
 OR { 3416}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 74   and name HG2 ))
 ASSI { 3417}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 74   and name HG1 ))
      2.700     0.900     0.900 peak  3417 spectrum    1 weight  0.10000E+01 volume  0.33757E-02 ppm1      1.906 ppm2      1.466 CV     1
 OR { 3417}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 74   and name HG2 ))
 ASSI { 3421}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 75   and name HN  ))
      5.000     3.100     1.000 peak  3421 spectrum    1 weight  0.10000E+01 volume  0.28069E-03 ppm1      1.481 ppm2      7.941 CV     1
 OR { 3421}
   (( segid "    " and resid 74   and name HG1 ))
   (( segid "    " and resid 75   and name HN  ))
 ASSI { 3424}
   (( segid "    " and resid 74   and name HG1 ))
   (( segid "    " and resid 74   and name HE2 ))
      3.700     1.700     1.700 peak  3424 spectrum    1 weight  0.10000E+01 volume  0.99235E-03 ppm1      1.469 ppm2      3.026 CV     1
 OR { 3424}
   (( segid "    " and resid 74   and name HG1 ))
   (( segid "    " and resid 74   and name HE1 ))
 OR { 3424}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 74   and name HE2 ))
 OR { 3424}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 74   and name HE1 ))
 ASSI { 3429}
   (( segid "    " and resid 74   and name HD1 ))
   (( segid "    " and resid 74   and name HA  ))
      3.200     1.300     1.300 peak  3429 spectrum    1 weight  0.10000E+01 volume  0.64273E-03 ppm1      1.785 ppm2      3.937 CV     1
 ASSI { 3432}
   (( segid "    " and resid 74   and name HD2 ))
   (( segid "    " and resid 74   and name HG2 ))
      2.100     0.600     0.600 peak  3432 spectrum    1 weight  0.10000E+01 volume  0.10747E-01 ppm1      1.668 ppm2      1.469 CV     1
 OR { 3432}
   (( segid "    " and resid 74   and name HD2 ))
   (( segid "    " and resid 74   and name HG1 ))
 ASSI { 3436}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
      2.600     0.900     0.900 peak  3436 spectrum    1 weight  0.10000E+01 volume  0.35768E-02 ppm1      4.223 ppm2      7.946 CV     1
 ASSI { 3437}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 75   and name HN  ))
      2.400     0.700     0.700 peak  3437 spectrum    1 weight  0.10000E+01 volume  0.38849E-02 ppm1      3.146 ppm2      7.945 CV     1
 OR { 3437}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 75   and name HN  ))
 ASSI { 3441}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
      3.600     1.600     1.600 peak  3441 spectrum    1 weight  0.10000E+01 volume  0.86267E-03 ppm1      4.218 ppm2      8.278 CV     1
 ASSI { 3442}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
      4.500     2.500     1.500 peak  3442 spectrum    1 weight  0.10000E+01 volume  0.82791E-03 ppm1      4.222 ppm2      8.060 CV     1
 ASSI { 3444}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 79   and name HN  ))
      4.800     2.800     1.200 peak  3444 spectrum    1 weight  0.10000E+01 volume  0.18908E-03 ppm1      4.230 ppm2      7.750 CV     1
 ASSI { 3450}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 79   and name HD2 ))
      3.400     1.500     1.500 peak  3450 spectrum    1 weight  0.10000E+01 volume  0.72865E-03 ppm1      4.218 ppm2      7.012 CV     1
 ASSI { 3451}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 75   and name HD% )
      2.700     0.900     0.900 peak  3451 spectrum    1 weight  0.10000E+01 volume  0.28694E-02 ppm1      4.222 ppm2      6.820 CV     1
 ASSI { 3453}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 75   and name HE% )
      4.800     2.900     1.200 peak  3453 spectrum    1 weight  0.10000E+01 volume  0.45021E-03 ppm1      4.226 ppm2      6.558 CV     1
 ASSI { 3456}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 72   and name HA  ))
      2.700     0.900     0.900 peak  3456 spectrum    1 weight  0.10000E+01 volume  0.20567E-02 ppm1      3.103 ppm2      4.116 CV     1
 OR { 3456}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 72   and name HA  ))
 ASSI { 3460}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 78   and name HB2 ))
      4.200     2.200     1.800 peak  3460 spectrum    1 weight  0.10000E+01 volume  0.99007E-03 ppm1      4.223 ppm2      2.219 CV     1
 ASSI { 3462}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 74   and name HB2 ))
      3.300     1.400     1.400 peak  3462 spectrum    1 weight  0.10000E+01 volume  0.32609E-03 ppm1      4.223 ppm2      1.912 CV     1
 ASSI { 3464}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 74   and name HG2 ))
      3.500     1.500     1.500 peak  3464 spectrum    1 weight  0.10000E+01 volume  0.56549E-03 ppm1      4.225 ppm2      1.452 CV     1
 OR { 3464}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 74   and name HG1 ))
 ASSI { 3467}
   (( segid "    " and resid 75   and name HB1 ))
   (  segid "    " and resid 66   and name HD1%)
      3.500     1.500     1.500 peak  3467 spectrum    1 weight  0.10000E+01 volume  0.88885E-03 ppm1      3.096 ppm2      0.408 CV     1
 OR { 3467}
   (( segid "    " and resid 75   and name HB2 ))
   (  segid "    " and resid 66   and name HD1%)
 ASSI { 3469}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HB2 ))
      2.400     0.700     0.700 peak  3469 spectrum    1 weight  0.10000E+01 volume  0.54256E-02 ppm1      4.225 ppm2      3.109 CV     1
 OR { 3469}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HB1 ))
 ASSI { 3473}
   (( segid "    " and resid 76   and name HB  ))
   (( segid "    " and resid 73   and name HN  ))
      3.200     3.200     2.800 peak  3473 spectrum    1 weight  0.10000E+01 volume  0.42196E-03 ppm1      1.787 ppm2      8.627 CV     1
 ASSI { 3475}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
      4.900     3.000     1.100 peak  3475 spectrum    1 weight  0.10000E+01 volume  0.23238E-03 ppm1      3.504 ppm2      8.296 CV     1
 ASSI { 3479}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 75   and name HD% )
      3.000     1.200     1.200 peak  3479 spectrum    1 weight  0.10000E+01 volume  0.18859E-02 ppm1      3.506 ppm2      6.821 CV     1
 ASSI { 3480}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 75   and name HE% )
      4.200     2.200     1.800 peak  3480 spectrum    1 weight  0.10000E+01 volume  0.48962E-03 ppm1      3.502 ppm2      6.547 CV     1
 ASSI { 3481}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 72   and name HA  ))
      5.200     3.400     0.800 peak  3481 spectrum    1 weight  0.10000E+01 volume  0.17110E-03 ppm1      3.506 ppm2      4.095 CV     1
 ASSI { 3483}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 75   and name HB2 ))
      5.000     3.100     1.000 peak  3483 spectrum    1 weight  0.10000E+01 volume  0.40776E-03 ppm1      3.503 ppm2      3.076 CV     1
 ASSI { 3499}
   (( segid "    " and resid 76   and name HG11))
   (( segid "    " and resid 75   and name HB1 ))
      3.500     1.500     1.500 peak  3499 spectrum    1 weight  0.10000E+01 volume  0.65694E-03 ppm1      1.996 ppm2      3.142 CV     1
 OR { 3499}
   (( segid "    " and resid 76   and name HG11))
   (( segid "    " and resid 75   and name HB2 ))
 ASSI { 3500}
   (( segid "    " and resid 76   and name HG11))
   (( segid "    " and resid 76   and name HA  ))
      2.600     0.900     0.900 peak  3500 spectrum    1 weight  0.10000E+01 volume  0.24905E-02 ppm1      1.997 ppm2      3.505 CV     1
 ASSI { 3501}
   (( segid "    " and resid 76   and name HG12))
   (( segid "    " and resid 76   and name HA  ))
      2.400     0.700     0.700 peak  3501 spectrum    1 weight  0.10000E+01 volume  0.26725E-02 ppm1      0.916 ppm2      3.503 CV     1
 ASSI { 3504}
   (( segid "    " and resid 76   and name HG12))
   (( segid "    " and resid 75   and name HB1 ))
      4.700     2.700     1.300 peak  3504 spectrum    1 weight  0.10000E+01 volume  0.34162E-03 ppm1      0.915 ppm2      3.135 CV     1
 ASSI { 3511}
   (( segid "    " and resid 76   and name HG11))
   (( segid "    " and resid 73   and name HA  ))
      4.900     3.000     1.100 peak  3511 spectrum    1 weight  0.10000E+01 volume  0.19731E-03 ppm1      2.007 ppm2      3.667 CV     1
 ASSI { 3512}
   (( segid "    " and resid 76   and name HG12))
   (( segid "    " and resid 73   and name HA  ))
      5.800     4.300     0.200 peak  3512 spectrum    1 weight  0.10000E+01 volume  0.17429E-03 ppm1      0.905 ppm2      3.690 CV     1
 ASSI { 3513}
   (( segid "    " and resid 76   and name HG11))
   (  segid "    " and resid 75   and name HD% )
      2.800     1.000     1.000 peak  3513 spectrum    1 weight  0.10000E+01 volume  0.97819E-03 ppm1      1.997 ppm2      6.821 CV     1
 ASSI { 3514}
   (( segid "    " and resid 76   and name HG11))
   (  segid "    " and resid 75   and name HE% )
      5.600     3.900     0.400 peak  3514 spectrum    1 weight  0.10000E+01 volume  0.16938E-03 ppm1      1.998 ppm2      6.545 CV     1
 ASSI { 3515}
   (( segid "    " and resid 76   and name HG12))
   (  segid "    " and resid 75   and name HD% )
      3.800     1.800     1.800 peak  3515 spectrum    1 weight  0.10000E+01 volume  0.67247E-03 ppm1      0.915 ppm2      6.831 CV     1
 ASSI { 3516}
   (( segid "    " and resid 76   and name HG12))
   (  segid "    " and resid 75   and name HE% )
      6.000     4.500     0.000 peak  3516 spectrum    1 weight  0.10000E+01 volume  0.11149E-03 ppm1      0.899 ppm2      6.558 CV     1
 ASSI { 3517}
   (( segid "    " and resid 76   and name HG12))
   (  segid "    " and resid 54   and name HD% )
      4.100     2.100     1.900 peak  3517 spectrum    1 weight  0.10000E+01 volume  0.30975E-03 ppm1      0.924 ppm2      7.490 CV     1
 ASSI { 3519}
   (( segid "    " and resid 76   and name HG12))
   (( segid "    " and resid 75   and name HN  ))
      6.000     4.500     0.000 peak  3519 spectrum    1 weight  0.10000E+01 volume  0.24941E-03 ppm1      0.903 ppm2      7.971 CV     1
 ASSI { 3520}
   (( segid "    " and resid 76   and name HG11))
   (( segid "    " and resid 75   and name HN  ))
      5.200     3.300     0.800 peak  3520 spectrum    1 weight  0.10000E+01 volume  0.15256E-03 ppm1      2.005 ppm2      7.951 CV     1
 ASSI { 3523}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 7    and name HG12))
      3.400     1.500     1.500 peak  3523 spectrum    1 weight  0.10000E+01 volume  0.31851E-03 ppm1      0.534 ppm2      0.247 CV     1
 ASSI { 3528}
   (  segid "    " and resid 76   and name HG2%)
   (  segid "    " and resid 73   and name HG2%)
      6.000     5.000     0.000 peak  3528 spectrum    1 weight  0.10000E+01 volume  0.16798E-03 ppm1      0.534 ppm2      1.109 CV     1
 ASSI { 3537}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 76   and name HB  ))
      2.200     0.600     0.600 peak  3537 spectrum    1 weight  0.10000E+01 volume  0.58797E-02 ppm1      0.617 ppm2      1.779 CV     1
 ASSI { 3538}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 58   and name HB  ))
      4.000     2.000     2.000 peak  3538 spectrum    1 weight  0.10000E+01 volume  0.62565E-03 ppm1      0.614 ppm2      1.676 CV     1
 ASSI { 3539}
   (  segid "    " and resid 76   and name HD1%)
   (  segid "    " and resid 72   and name HB% )
      2.700     0.900     0.900 peak  3539 spectrum    1 weight  0.10000E+01 volume  0.19195E-02 ppm1      0.616 ppm2      1.587 CV     1
 ASSI { 3543}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 75   and name HB1 ))
      3.200     1.200     1.200 peak  3543 spectrum    1 weight  0.10000E+01 volume  0.45650E-03 ppm1      0.618 ppm2      3.139 CV     1
 OR { 3543}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 75   and name HB2 ))
 ASSI { 3544}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 54   and name HB2 ))
      3.500     1.600     1.600 peak  3544 spectrum    1 weight  0.10000E+01 volume  0.87327E-03 ppm1      0.619 ppm2      2.750 CV     1
 ASSI { 3546}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 80   and name HG2 ))
      5.200     3.400     0.800 peak  3546 spectrum    1 weight  0.10000E+01 volume  0.14840E-03 ppm1      0.539 ppm2      2.584 CV     1
 ASSI { 3549}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 80   and name HB1 ))
      5.700     4.100     0.300 peak  3549 spectrum    1 weight  0.10000E+01 volume  0.17694E-03 ppm1      0.532 ppm2      2.345 CV     1
 ASSI { 3551}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 80   and name HB2 ))
      5.200     3.400     0.800 peak  3551 spectrum    1 weight  0.10000E+01 volume  0.34381E-03 ppm1      0.536 ppm2      2.136 CV     1
 ASSI { 3557}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 76   and name HA  ))
      3.100     1.200     1.200 peak  3557 spectrum    1 weight  0.10000E+01 volume  0.98185E-03 ppm1      0.536 ppm2      3.492 CV     1
 ASSI { 3559}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 72   and name HA  ))
      3.600     1.600     1.600 peak  3559 spectrum    1 weight  0.10000E+01 volume  0.51812E-03 ppm1      0.620 ppm2      4.148 CV     1
 ASSI { 3563}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 73   and name HA  ))
      3.100     1.200     1.200 peak  3563 spectrum    1 weight  0.10000E+01 volume  0.20317E-02 ppm1      0.617 ppm2      3.679 CV     1
 ASSI { 3564}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 76   and name HA  ))
      3.800     1.800     1.800 peak  3564 spectrum    1 weight  0.10000E+01 volume  0.18336E-02 ppm1      0.617 ppm2      3.497 CV     1
 ASSI { 3566}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 54   and name HA  ))
      5.800     4.300     0.200 peak  3566 spectrum    1 weight  0.10000E+01 volume  0.12767E-03 ppm1      0.537 ppm2      4.847 CV     1
 ASSI { 3568}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 73   and name HN  ))
      3.400     1.400     1.400 peak  3568 spectrum    1 weight  0.10000E+01 volume  0.29698E-03 ppm1      0.614 ppm2      8.635 CV     1
 ASSI { 3569}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 76   and name HN  ))
      3.400     1.400     1.400 peak  3569 spectrum    1 weight  0.10000E+01 volume  0.24159E-02 ppm1      0.617 ppm2      8.506 CV     1
 ASSI { 3575}
   (  segid "    " and resid 76   and name HD1%)
   (  segid "    " and resid 54   and name HD% )
      2.600     0.800     0.800 peak  3575 spectrum    1 weight  0.10000E+01 volume  0.29917E-02 ppm1      0.617 ppm2      7.469 CV     1
 ASSI { 3576}
   (  segid "    " and resid 76   and name HD1%)
   (  segid "    " and resid 54   and name HE% )
      3.200     1.300     1.300 peak  3576 spectrum    1 weight  0.10000E+01 volume  0.10761E-02 ppm1      0.618 ppm2      7.126 CV     1
 ASSI { 3578}
   (  segid "    " and resid 76   and name HD1%)
   (  segid "    " and resid 75   and name HD% )
      2.900     1.100     1.100 peak  3578 spectrum    1 weight  0.10000E+01 volume  0.74272E-03 ppm1      0.614 ppm2      6.822 CV     1
 ASSI { 3579}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 76   and name HN  ))
      4.600     2.600     1.400 peak  3579 spectrum    1 weight  0.10000E+01 volume  0.48601E-03 ppm1      0.534 ppm2      8.507 CV     1
 ASSI { 3582}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 80   and name HE22))
      4.400     2.400     1.600 peak  3582 spectrum    1 weight  0.10000E+01 volume  0.18079E-03 ppm1      0.534 ppm2      7.727 CV     1
 ASSI { 3583}
   (  segid "    " and resid 76   and name HG2%)
   (  segid "    " and resid 54   and name HD% )
      3.900     1.900     1.900 peak  3583 spectrum    1 weight  0.10000E+01 volume  0.38765E-03 ppm1      0.533 ppm2      7.469 CV     1
 ASSI { 3584}
   (  segid "    " and resid 76   and name HG2%)
   (  segid "    " and resid 54   and name HE% )
      4.800     2.900     1.200 peak  3584 spectrum    1 weight  0.10000E+01 volume  0.15652E-03 ppm1      0.538 ppm2      7.136 CV     1
 ASSI { 3591}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 78   and name HN  ))
      3.800     1.800     1.800 peak  3591 spectrum    1 weight  0.10000E+01 volume  0.14633E-02 ppm1      1.663 ppm2      8.284 CV     1
 ASSI { 3592}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 78   and name HN  ))
      2.600     0.800     0.800 peak  3592 spectrum    1 weight  0.10000E+01 volume  0.16165E-02 ppm1      1.770 ppm2      8.279 CV     1
 ASSI { 3597}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 80   and name HE21))
      2.800     1.000     1.000 peak  3597 spectrum    1 weight  0.10000E+01 volume  0.16676E-02 ppm1      3.896 ppm2      7.655 CV     1
 ASSI { 3603}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 80   and name HB1 ))
      5.500     3.800     0.500 peak  3603 spectrum    1 weight  0.10000E+01 volume  0.49277E-03 ppm1      3.896 ppm2      2.344 CV     1
 ASSI { 3604}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 80   and name HG2 ))
      2.300     0.700     0.700 peak  3604 spectrum    1 weight  0.10000E+01 volume  0.13330E-02 ppm1      3.896 ppm2      2.583 CV     1
 ASSI { 3609}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 78   and name HB2 ))
      5.500     3.700     0.500 peak  3609 spectrum    1 weight  0.10000E+01 volume  0.24279E-03 ppm1      1.666 ppm2      2.200 CV     1
 ASSI { 3613}
   (( segid "    " and resid 77   and name HB2 ))
   (  segid "    " and resid 77   and name HD2%)
      2.400     0.700     0.700 peak  3613 spectrum    1 weight  0.10000E+01 volume  0.47400E-02 ppm1      1.665 ppm2      0.825 CV     1
 OR { 3613}
   (( segid "    " and resid 77   and name HB2 ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI { 3615}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 7    and name HG12))
      5.200     3.400     0.800 peak  3615 spectrum    1 weight  0.10000E+01 volume  0.16043E-03 ppm1      3.897 ppm2      0.245 CV     1
 ASSI { 3617}
   (( segid "    " and resid 77   and name HG  ))
   (( segid "    " and resid 77   and name HA  ))
      2.700     0.900     0.900 peak  3617 spectrum    1 weight  0.10000E+01 volume  0.15885E-02 ppm1      1.627 ppm2      3.908 CV     1
 ASSI { 3620}
   (( segid "    " and resid 77   and name HG  ))
   (( segid "    " and resid 78   and name HN  ))
      4.600     2.600     1.400 peak  3620 spectrum    1 weight  0.10000E+01 volume  0.37251E-03 ppm1      1.631 ppm2      8.279 CV     1
 ASSI { 3621}
   (( segid "    " and resid 77   and name HG  ))
   (( segid "    " and resid 80   and name HB1 ))
      5.200     3.300     0.800 peak  3621 spectrum    1 weight  0.10000E+01 volume  0.48327E-03 ppm1      1.614 ppm2      2.299 CV     1
 ASSI { 3623}
   (( segid "    " and resid 77   and name HG  ))
   (  segid "    " and resid 77   and name HD2%)
      2.600     0.800     0.800 peak  3623 spectrum    1 weight  0.10000E+01 volume  0.37043E-02 ppm1      1.628 ppm2      0.819 CV     1
 OR { 3623}
   (( segid "    " and resid 77   and name HG  ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI { 3624}
   (( segid "    " and resid 77   and name HG  ))
   (  segid "    " and resid 73   and name HG2%)
      4.200     2.200     1.800 peak  3624 spectrum    1 weight  0.10000E+01 volume  0.73560E-03 ppm1      1.618 ppm2      1.104 CV     1
 ASSI { 3626}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 4    and name HA  ))
      2.800     1.000     1.000 peak  3626 spectrum    1 weight  0.10000E+01 volume  0.20984E-02 ppm1      0.831 ppm2      3.696 CV     1
 ASSI { 3632}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 3    and name HB  ))
      5.400     3.600     0.600 peak  3632 spectrum    1 weight  0.10000E+01 volume  0.22636E-03 ppm1      0.824 ppm2      4.721 CV     1
 ASSI { 3636}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 78   and name HN  ))
      5.300     3.500     0.700 peak  3636 spectrum    1 weight  0.10000E+01 volume  0.22093E-03 ppm1      0.823 ppm2      8.312 CV     1
 OR { 3636}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 78   and name HN  ))
 ASSI { 3644}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 80   and name HE21))
      3.500     1.600     1.600 peak  3644 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      0.826 ppm2      7.650 CV     1
 OR { 3644}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 80   and name HE21))
 ASSI { 3645}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 4    and name HN  ))
      3.700     1.700     1.700 peak  3645 spectrum    1 weight  0.10000E+01 volume  0.99386E-03 ppm1      0.825 ppm2      9.249 CV     1
 ASSI { 3653}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 80   and name HG1 ))
      5.200     3.400     0.800 peak  3653 spectrum    1 weight  0.10000E+01 volume  0.17813E-03 ppm1      0.825 ppm2      2.692 CV     1
 OR { 3653}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 80   and name HG1 ))
 ASSI { 3654}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 80   and name HG2 ))
      5.700     4.100     0.300 peak  3654 spectrum    1 weight  0.10000E+01 volume  0.14759E-03 ppm1      0.829 ppm2      2.587 CV     1
 OR { 3654}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 80   and name HG2 ))
 ASSI { 3655}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 4    and name HB2 ))
      3.300     1.400     1.400 peak  3655 spectrum    1 weight  0.10000E+01 volume  0.94083E-03 ppm1      0.825 ppm2      2.062 CV     1
 OR { 3655}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 4    and name HB2 ))
 ASSI { 3657}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HB1 ))
      1.500     0.300     0.700 peak  3657 spectrum    1 weight  0.10000E+01 volume  0.15160E-01 ppm1      1.273 ppm2      2.120 CV     1
 ASSI { 3659}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HB2 ))
      1.700     0.300     0.500 peak  3659 spectrum    1 weight  0.10000E+01 volume  0.25939E-01 ppm1      3.256 ppm2      2.552 CV     1
 ASSI { 3662}
   (( segid "    " and resid 55   and name HB1 ))
   (  segid "    " and resid 56   and name HG2%)
      4.600     2.700     1.400 peak  3662 spectrum    1 weight  0.10000E+01 volume  0.42925E-03 ppm1      3.258 ppm2      0.945 CV     1
 OR { 3662}
   (( segid "    " and resid 55   and name HB1 ))
   (  segid "    " and resid 56   and name HG1%)
 ASSI { 3663}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 81   and name HN  ))
      4.900     3.100     1.100 peak  3663 spectrum    1 weight  0.10000E+01 volume  0.28022E-03 ppm1      3.246 ppm2      8.311 CV     1
 ASSI { 3664}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 55   and name HB1 ))
      3.900     1.900     1.900 peak  3664 spectrum    1 weight  0.10000E+01 volume  0.63748E-03 ppm1      1.441 ppm2      3.252 CV     1
 ASSI { 3665}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 81   and name HA  ))
      2.400     0.700     0.700 peak  3665 spectrum    1 weight  0.10000E+01 volume  0.74743E-02 ppm1      1.433 ppm2      4.180 CV     1
 ASSI { 3666}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 80   and name HA  ))
      4.300     2.300     1.700 peak  3666 spectrum    1 weight  0.10000E+01 volume  0.93105E-03 ppm1      1.432 ppm2      4.429 CV     1
 ASSI { 3667}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 55   and name HB2 ))
      4.000     2.000     2.000 peak  3667 spectrum    1 weight  0.10000E+01 volume  0.50593E-03 ppm1      1.437 ppm2      2.570 CV     1
 ASSI { 3670}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 55   and name HB2 ))
      4.700     2.700     1.300 peak  3670 spectrum    1 weight  0.10000E+01 volume  0.29778E-03 ppm1      4.185 ppm2      2.580 CV     1
 ASSI { 3671}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 80   and name HB1 ))
      5.200     3.400     0.800 peak  3671 spectrum    1 weight  0.10000E+01 volume  0.17918E-03 ppm1      4.185 ppm2      2.342 CV     1
 ASSI { 3675}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 81   and name HN  ))
      2.700     0.900     0.900 peak  3675 spectrum    1 weight  0.10000E+01 volume  0.33119E-02 ppm1      4.181 ppm2      8.306 CV     1
 ASSI { 3681}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 81   and name HN  ))
      2.500     0.800     0.800 peak  3681 spectrum    1 weight  0.10000E+01 volume  0.73377E-02 ppm1      1.435 ppm2      8.305 CV     1
 ASSI { 3684}
   (( segid "    " and resid 1    and name HA  ))
   (  segid "    " and resid 1    and name HB% )
      2.400     0.700     0.700 peak  3684 spectrum    1 weight  0.10000E+01 volume  0.65835E-02 ppm1      4.034 ppm2      1.519 CV     1
 ASSI { 3685}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 80   and name HG1 ))
      4.500     2.500     1.500 peak  3685 spectrum    1 weight  0.10000E+01 volume  0.31487E-03 ppm1      4.032 ppm2      2.707 CV     1
 ASSI { 3686}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 80   and name HB1 ))
      3.500     1.500     1.500 peak  3686 spectrum    1 weight  0.10000E+01 volume  0.73450E-03 ppm1      4.034 ppm2      2.342 CV     1
 ASSI { 3690}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 80   and name HB2 ))
      5.000     3.100     1.000 peak  3690 spectrum    1 weight  0.10000E+01 volume  0.39877E-03 ppm1      4.034 ppm2      2.134 CV     1
 ASSI { 3691}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 80   and name HG2 ))
      5.100     3.200     0.900 peak  3691 spectrum    1 weight  0.10000E+01 volume  0.48638E-03 ppm1      4.035 ppm2      2.580 CV     1
 ASSI { 3695}
   (  segid "    " and resid 1    and name HB% )
   (( segid "    " and resid 3    and name HA  ))
      4.400     2.400     1.600 peak  3695 spectrum    1 weight  0.10000E+01 volume  0.34813E-03 ppm1      1.517 ppm2      4.433 CV     1
 ASSI { 3696}
   (  segid "    " and resid 1    and name HB% )
   (( segid "    " and resid 2    and name HA  ))
      4.300     2.300     1.700 peak  3696 spectrum    1 weight  0.10000E+01 volume  0.73085E-03 ppm1      1.520 ppm2      4.832 CV     1
 ASSI { 3697}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 2    and name HA  ))
      4.000     2.000     2.000 peak  3697 spectrum    1 weight  0.10000E+01 volume  0.74121E-03 ppm1      4.038 ppm2      4.805 CV     1
 ASSI { 3700}
   (  segid "    " and resid 1    and name HB% )
   (( segid "    " and resid 80   and name HE21))
      4.000     2.000     2.000 peak  3700 spectrum    1 weight  0.10000E+01 volume  0.22409E-02 ppm1      1.517 ppm2      7.655 CV     1
 ASSI { 3701}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 80   and name HE22))
      4.700     2.800     1.300 peak  3701 spectrum    1 weight  0.10000E+01 volume  0.23477E-03 ppm1      4.033 ppm2      7.762 CV     1
 ASSI { 3703}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 80   and name HE21))
      4.500     2.500     1.500 peak  3703 spectrum    1 weight  0.10000E+01 volume  0.60203E-03 ppm1      4.032 ppm2      7.657 CV     1
 ASSI { 3707}
   (( segid "    " and resid 78   and name HB1 ))
   (( segid "    " and resid 78   and name HN  ))
      2.600     0.900     0.900 peak  3707 spectrum    1 weight  0.10000E+01 volume  0.34484E-02 ppm1      2.538 ppm2      8.279 CV     1
 ASSI { 3708}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 78   and name HN  ))
      2.700     0.900     0.900 peak  3708 spectrum    1 weight  0.10000E+01 volume  0.26713E-02 ppm1      2.220 ppm2      8.278 CV     1
 ASSI { 3710}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 79   and name HA  ))
      6.000     5.500     0.000 peak  3710 spectrum    1 weight  0.10000E+01 volume  0.96618E-04 ppm1      2.231 ppm2      4.626 CV     1
 ASSI { 3715}
   (( segid "    " and resid 78   and name HB1 ))
   (( segid "    " and resid 78   and name HA  ))
      3.200     1.300     1.300 peak  3715 spectrum    1 weight  0.10000E+01 volume  0.28979E-02 ppm1      2.534 ppm2      4.383 CV     1
 ASSI { 3717}
   (( segid "    " and resid 78   and name HB1 ))
   (( segid "    " and resid 75   and name HA  ))
      3.200     1.300     1.300 peak  3717 spectrum    1 weight  0.10000E+01 volume  0.11207E-02 ppm1      2.545 ppm2      4.224 CV     1
 ASSI { 3719}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HB2 ))
      2.400     0.700     0.700 peak  3719 spectrum    1 weight  0.10000E+01 volume  0.72198E-02 ppm1      4.384 ppm2      2.219 CV     1
 ASSI { 3724}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 77   and name HD1%)
      4.400     2.400     1.600 peak  3724 spectrum    1 weight  0.10000E+01 volume  0.35337E-03 ppm1      4.384 ppm2      0.831 CV     1
 OR { 3724}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 77   and name HD2%)
 ASSI { 3725}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 77   and name HG  ))
      5.600     4.000     0.400 peak  3725 spectrum    1 weight  0.10000E+01 volume  0.18923E-03 ppm1      2.220 ppm2      1.653 CV     1
 OR { 3725}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 77   and name HB2 ))
 ASSI { 3729}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 79   and name HD2 ))
      5.800     4.200     0.200 peak  3729 spectrum    1 weight  0.10000E+01 volume  0.32663E-03 ppm1      2.224 ppm2      7.015 CV     1
 ASSI { 3732}
   (( segid "    " and resid 78   and name HB1 ))
   (( segid "    " and resid 79   and name HN  ))
      3.200     1.300     1.300 peak  3732 spectrum    1 weight  0.10000E+01 volume  0.83947E-03 ppm1      2.534 ppm2      7.710 CV     1
 ASSI { 3733}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 79   and name HN  ))
      4.600     2.600     1.400 peak  3733 spectrum    1 weight  0.10000E+01 volume  0.73021E-03 ppm1      2.214 ppm2      7.708 CV     1
 ASSI { 3743}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 80   and name HN  ))
      3.200     1.300     1.300 peak  3743 spectrum    1 weight  0.10000E+01 volume  0.15504E-02 ppm1      4.628 ppm2      7.883 CV     1
 ASSI { 3746}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 80   and name HN  ))
      4.200     2.200     1.800 peak  3746 spectrum    1 weight  0.10000E+01 volume  0.53091E-03 ppm1      3.588 ppm2      7.877 CV     1
 ASSI { 3747}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 79   and name HN  ))
      4.000     2.000     2.000 peak  3747 spectrum    1 weight  0.10000E+01 volume  0.16899E-02 ppm1      3.590 ppm2      7.710 CV     1
 ASSI { 3749}
   (( segid "    " and resid 79   and name HB1 ))
   (  segid "    " and resid 75   and name HD% )
      4.900     3.100     1.100 peak  3749 spectrum    1 weight  0.10000E+01 volume  0.26637E-03 ppm1      3.597 ppm2      6.813 CV     1
 ASSI { 3750}
   (( segid "    " and resid 79   and name HB1 ))
   (  segid "    " and resid 75   and name HE% )
      4.100     2.100     1.900 peak  3750 spectrum    1 weight  0.10000E+01 volume  0.43362E-03 ppm1      3.590 ppm2      6.558 CV     1
 ASSI { 3751}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 80   and name HN  ))
      3.700     1.700     1.700 peak  3751 spectrum    1 weight  0.10000E+01 volume  0.60683E-03 ppm1      2.524 ppm2      7.880 CV     1
 ASSI { 3753}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HD2 ))
      3.200     1.300     1.300 peak  3753 spectrum    1 weight  0.10000E+01 volume  0.90127E-03 ppm1      2.519 ppm2      7.009 CV     1
 ASSI { 3754}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 75   and name HD% )
      3.800     1.800     1.800 peak  3754 spectrum    1 weight  0.10000E+01 volume  0.47162E-03 ppm1      2.516 ppm2      6.819 CV     1
 ASSI { 3755}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 75   and name HE% )
      3.700     1.700     1.700 peak  3755 spectrum    1 weight  0.10000E+01 volume  0.51616E-03 ppm1      2.523 ppm2      6.557 CV     1
 ASSI { 3756}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 79   and name HD2 ))
      3.900     1.900     1.900 peak  3756 spectrum    1 weight  0.10000E+01 volume  0.77200E-03 ppm1      4.631 ppm2      7.010 CV     1
 ASSI { 3760}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 79   and name HB1 ))
      2.600     0.800     0.800 peak  3760 spectrum    1 weight  0.10000E+01 volume  0.42644E-02 ppm1      4.631 ppm2      3.588 CV     1
 ASSI { 3766}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 56   and name HB  ))
      4.400     2.400     1.600 peak  3766 spectrum    1 weight  0.10000E+01 volume  0.39858E-03 ppm1      3.585 ppm2      2.009 CV     1
 ASSI { 3769}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 79   and name HB2 ))
      3.100     1.200     1.200 peak  3769 spectrum    1 weight  0.10000E+01 volume  0.31251E-02 ppm1      4.635 ppm2      2.517 CV     1
 ASSI { 3770}
   (( segid "    " and resid 79   and name HB1 ))
   (  segid "    " and resid 56   and name HG2%)
      3.200     1.300     1.300 peak  3770 spectrum    1 weight  0.10000E+01 volume  0.15390E-02 ppm1      3.590 ppm2      0.955 CV     1
 OR { 3770}
   (( segid "    " and resid 79   and name HB1 ))
   (  segid "    " and resid 56   and name HG1%)
 ASSI { 3771}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 56   and name HG2%)
      3.000     1.100     1.100 peak  3771 spectrum    1 weight  0.10000E+01 volume  0.20969E-02 ppm1      2.518 ppm2      0.952 CV     1
 OR { 3771}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 56   and name HG1%)
 ASSI { 3772}
   (( segid "    " and resid 79   and name HA  ))
   (  segid "    " and resid 56   and name HG2%)
      4.100     2.100     1.900 peak  3772 spectrum    1 weight  0.10000E+01 volume  0.10154E-02 ppm1      4.634 ppm2      0.981 CV     1
 OR { 3772}
   (( segid "    " and resid 79   and name HA  ))
   (  segid "    " and resid 56   and name HG1%)
 ASSI { 3774}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
      5.100     3.200     0.900 peak  3774 spectrum    1 weight  0.10000E+01 volume  0.33271E-03 ppm1      4.632 ppm2      8.304 CV     1
 ASSI { 3778}
   (( segid "    " and resid 79   and name HD2 ))
   (( segid "    " and resid 79   and name HB1 ))
      3.800     1.800     1.800 peak  3778 spectrum    1 weight  0.10000E+01 volume  0.15018E-02 ppm1      7.010 ppm2      3.588 CV     1
 ASSI { 3782}
   (( segid "    " and resid 79   and name HD2 ))
   (  segid "    " and resid 75   and name HE% )
      4.400     2.400     1.600 peak  3782 spectrum    1 weight  0.10000E+01 volume  0.28876E-03 ppm1      7.010 ppm2      6.559 CV     1
 ASSI { 3783}
   (( segid "    " and resid 80   and name HB1 ))
   (( segid "    " and resid 81   and name HN  ))
      3.100     1.200     1.200 peak  3783 spectrum    1 weight  0.10000E+01 volume  0.16875E-02 ppm1      2.341 ppm2      8.306 CV     1
 ASSI { 3788}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 81   and name HN  ))
      2.100     0.500     0.500 peak  3788 spectrum    1 weight  0.10000E+01 volume  0.11103E-01 ppm1      4.418 ppm2      8.307 CV     1
 ASSI { 3802}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HG1 ))
      3.400     1.500     1.500 peak  3802 spectrum    1 weight  0.10000E+01 volume  0.21146E-02 ppm1      4.418 ppm2      2.711 CV     1
 ASSI { 3803}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HG2 ))
      2.600     0.800     0.800 peak  3803 spectrum    1 weight  0.10000E+01 volume  0.21752E-02 ppm1      4.418 ppm2      2.582 CV     1
 ASSI { 3805}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HB1 ))
      2.300     0.700     0.700 peak  3805 spectrum    1 weight  0.10000E+01 volume  0.59961E-02 ppm1      4.418 ppm2      2.338 CV     1
 ASSI { 3806}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HB2 ))
      2.500     0.800     0.800 peak  3806 spectrum    1 weight  0.10000E+01 volume  0.61729E-02 ppm1      4.419 ppm2      2.141 CV     1
 ASSI { 3807}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 56   and name HB  ))
      3.100     1.200     1.200 peak  3807 spectrum    1 weight  0.10000E+01 volume  0.13264E-02 ppm1      4.419 ppm2      2.009 CV     1
 ASSI { 3808}
   (( segid "    " and resid 80   and name HB1 ))
   (( segid "    " and resid 80   and name HG1 ))
      2.600     0.800     0.800 peak  3808 spectrum    1 weight  0.10000E+01 volume  0.32410E-02 ppm1      2.341 ppm2      2.708 CV     1
 ASSI { 3809}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 80   and name HG1 ))
      2.500     0.800     0.800 peak  3809 spectrum    1 weight  0.10000E+01 volume  0.32249E-02 ppm1      2.145 ppm2      2.709 CV     1
 ASSI { 3810}
   (( segid "    " and resid 80   and name HB1 ))
   (( segid "    " and resid 80   and name HG2 ))
      2.800     1.000     1.000 peak  3810 spectrum    1 weight  0.10000E+01 volume  0.41564E-02 ppm1      2.340 ppm2      2.583 CV     1
 ASSI { 3811}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 80   and name HG2 ))
      2.400     0.700     0.700 peak  3811 spectrum    1 weight  0.10000E+01 volume  0.36079E-02 ppm1      2.144 ppm2      2.582 CV     1
 ASSI { 3815}
   (( segid "    " and resid 80   and name HB1 ))
   (  segid "    " and resid 1    and name HB% )
      4.000     2.000     2.000 peak  3815 spectrum    1 weight  0.10000E+01 volume  0.55065E-03 ppm1      2.338 ppm2      1.515 CV     1
 ASSI { 3817}
   (( segid "    " and resid 80   and name HB1 ))
   (  segid "    " and resid 81   and name HB% )
      4.300     2.300     1.700 peak  3817 spectrum    1 weight  0.10000E+01 volume  0.29097E-03 ppm1      2.348 ppm2      1.441 CV     1
 ASSI { 3823}
   (( segid "    " and resid 80   and name HA  ))
   (  segid "    " and resid 76   and name HG2%)
      3.900     1.900     1.900 peak  3823 spectrum    1 weight  0.10000E+01 volume  0.51438E-03 ppm1      4.420 ppm2      0.533 CV     1
 ASSI { 3833}
   (( segid "    " and resid 80   and name HG1 ))
   (  segid "    " and resid 56   and name HG2%)
      5.000     3.100     1.000 peak  3833 spectrum    1 weight  0.10000E+01 volume  0.53009E-03 ppm1      2.715 ppm2      0.969 CV     1
 OR { 3833}
   (( segid "    " and resid 80   and name HG1 ))
   (  segid "    " and resid 56   and name HG1%)
 ASSI { 3834}
   (( segid "    " and resid 80   and name HG2 ))
   (  segid "    " and resid 56   and name HG2%)
      4.300     2.300     1.700 peak  3834 spectrum    1 weight  0.10000E+01 volume  0.47720E-03 ppm1      2.591 ppm2      0.967 CV     1
 OR { 3834}
   (( segid "    " and resid 80   and name HG2 ))
   (  segid "    " and resid 56   and name HG1%)
 ASSI { 3835}
   (( segid "    " and resid 80   and name HG1 ))
   (  segid "    " and resid 77   and name HD1%)
      4.300     2.300     1.700 peak  3835 spectrum    1 weight  0.10000E+01 volume  0.31165E-03 ppm1      2.712 ppm2      0.816 CV     1
 ASSI { 3836}
   (( segid "    " and resid 80   and name HG2 ))
   (  segid "    " and resid 77   and name HD1%)
      4.500     2.600     1.500 peak  3836 spectrum    1 weight  0.10000E+01 volume  0.31574E-03 ppm1      2.595 ppm2      0.819 CV     1
 ASSI { 3847}
   (( segid "    " and resid 80   and name HG1 ))
   (( segid "    " and resid 77   and name HA  ))
      3.600     1.600     1.600 peak  3847 spectrum    1 weight  0.10000E+01 volume  0.10756E-02 ppm1      2.714 ppm2      3.895 CV     1
 ASSI { 3850}
   (( segid "    " and resid 80   and name HG2 ))
   (( segid "    " and resid 80   and name HN  ))
      2.700     0.900     0.900 peak  3850 spectrum    1 weight  0.10000E+01 volume  0.20865E-02 ppm1      2.587 ppm2      7.876 CV     1
 ASSI { 3854}
   (( segid "    " and resid 80   and name HG2 ))
   (( segid "    " and resid 80   and name HE21))
      2.600     0.800     0.800 peak  3854 spectrum    1 weight  0.10000E+01 volume  0.83239E-03 ppm1      2.588 ppm2      7.655 CV     1
 ASSI { 3857}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 69   and name HA  ))
      2.600     2.600     3.400 peak  3857 spectrum    1 weight  0.10000E+01 volume  0.13219E-02 ppm1      1.109 ppm2      3.384 CV     1
 ASSI { 3858}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 73   and name HB  ))
      2.000     0.500     0.500 peak  3858 spectrum    1 weight  0.10000E+01 volume  0.96079E-02 ppm1      1.108 ppm2      4.185 CV     1
 ASSI { 3861}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 70   and name HA2 ))
      3.600     1.700     1.700 peak  3861 spectrum    1 weight  0.10000E+01 volume  0.14878E-02 ppm1      1.108 ppm2      3.794 CV     1
 ASSI { 3863}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 4    and name HE21))
      3.600     1.600     1.600 peak  3863 spectrum    1 weight  0.10000E+01 volume  0.41809E-03 ppm1      1.109 ppm2      6.836 CV     1
 ASSI { 3864}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 5    and name HN  ))
      3.700     1.700     1.700 peak  3864 spectrum    1 weight  0.10000E+01 volume  0.17880E-03 ppm1      1.113 ppm2      8.902 CV     1
 ASSI { 3866}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 73   and name HN  ))
      3.500     1.500     1.500 peak  3866 spectrum    1 weight  0.10000E+01 volume  0.22514E-02 ppm1      1.108 ppm2      8.641 CV     1
 ASSI { 3871}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 74   and name HN  ))
      3.300     1.400     1.400 peak  3871 spectrum    1 weight  0.10000E+01 volume  0.19895E-02 ppm1      1.109 ppm2      8.039 CV     1
 ASSI { 3872}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 75   and name HN  ))
      4.400     2.400     1.600 peak  3872 spectrum    1 weight  0.10000E+01 volume  0.47829E-03 ppm1      1.110 ppm2      7.938 CV     1
 ASSI { 3874}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 4    and name HN  ))
      4.500     2.500     1.500 peak  3874 spectrum    1 weight  0.10000E+01 volume  0.49972E-03 ppm1      1.107 ppm2      9.237 CV     1
 ASSI { 3876}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 4    and name HG2 ))
      2.100     0.600     0.600 peak  3876 spectrum    1 weight  0.10000E+01 volume  0.65863E-02 ppm1      1.109 ppm2      2.167 CV     1
 ASSI { 3886}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 7    and name HG12))
      5.300     3.600     0.700 peak  3886 spectrum    1 weight  0.10000E+01 volume  0.36453E-03 ppm1      1.108 ppm2      0.222 CV     1
 ASSI { 3888}
   (  segid "    " and resid 54   and name HD% )
   (( segid "    " and resid 54   and name HA  ))
      2.400     0.700     0.700 peak  3888 spectrum    1 weight  0.10000E+01 volume  0.48852E-02 ppm1      7.471 ppm2      4.846 CV     1
 ASSI { 3889}
   (  segid "    " and resid 54   and name HD% )
   (( segid "    " and resid 10   and name HA1 ))
      5.300     3.500     0.700 peak  3889 spectrum    1 weight  0.10000E+01 volume  0.18639E-03 ppm1      7.463 ppm2      4.062 CV     1
 ASSI { 3890}
   (  segid "    " and resid 54   and name HD% )
   (( segid "    " and resid 50   and name HA  ))
      2.900     1.100     1.100 peak  3890 spectrum    1 weight  0.10000E+01 volume  0.24195E-02 ppm1      7.470 ppm2      3.958 CV     1
 ASSI { 3892}
   (  segid "    " and resid 54   and name HD% )
   (( segid "    " and resid 53   and name HD1 ))
      4.500     2.600     1.500 peak  3892 spectrum    1 weight  0.10000E+01 volume  0.22264E-03 ppm1      7.469 ppm2      2.868 CV     1
 ASSI { 3893}
   (  segid "    " and resid 54   and name HD% )
   (( segid "    " and resid 54   and name HB2 ))
      2.200     0.600     0.600 peak  3893 spectrum    1 weight  0.10000E+01 volume  0.54233E-02 ppm1      7.470 ppm2      2.742 CV     1
 ASSI { 3896}
   (  segid "    " and resid 54   and name HD% )
   (( segid "    " and resid 55   and name HN  ))
      4.900     3.000     1.100 peak  3896 spectrum    1 weight  0.10000E+01 volume  0.42886E-03 ppm1      7.471 ppm2      7.838 CV     1
 ASSI { 3902}
   (  segid "    " and resid 54   and name HD% )
   (  segid "    " and resid 50   and name HB% )
      2.400     0.700     0.700 peak  3902 spectrum    1 weight  0.10000E+01 volume  0.33956E-02 ppm1      7.469 ppm2      1.507 CV     1
 ASSI { 3905}
   (  segid "    " and resid 54   and name HD% )
   (  segid "    " and resid 14   and name HD1%)
      2.900     2.900     3.100 peak  3905 spectrum    1 weight  0.10000E+01 volume  0.74697E-03 ppm1      7.472 ppm2      0.733 CV     1
 ASSI { 3908}
   (  segid "    " and resid 54   and name HD% )
   (( segid "    " and resid 7    and name HG12))
      3.500     1.500     1.500 peak  3908 spectrum    1 weight  0.10000E+01 volume  0.55974E-03 ppm1      7.466 ppm2      0.230 CV     1
 ASSI { 3910}
   (  segid "    " and resid 54   and name HD% )
   (  segid "    " and resid 54   and name HE% )
      2.000     0.500     0.500 peak  3910 spectrum    1 weight  0.10000E+01 volume  0.87089E-02 ppm1      7.470 ppm2      7.126 CV     1
 ASSI { 3917}
   (  segid "    " and resid 54   and name HE% )
   (( segid "    " and resid 54   and name HA  ))
      5.200     3.400     0.800 peak  3917 spectrum    1 weight  0.10000E+01 volume  0.33479E-03 ppm1      7.129 ppm2      4.848 CV     1
 ASSI { 3925}
   (  segid "    " and resid 54   and name HE% )
   (( segid "    " and resid 11   and name HG  ))
      3.000     1.100     1.100 peak  3925 spectrum    1 weight  0.10000E+01 volume  0.99358E-03 ppm1      7.126 ppm2      1.986 CV     1
 ASSI { 3932}
   (  segid "    " and resid 54   and name HE% )
   (( segid "    " and resid 7    and name HG12))
      3.500     1.500     1.500 peak  3932 spectrum    1 weight  0.10000E+01 volume  0.49072E-03 ppm1      7.128 ppm2      0.233 CV     1
 ASSI { 3933}
   (  segid "    " and resid 54   and name HE% )
   (  segid "    " and resid 54   and name HD% )
      1.900     0.400     0.400 peak  3933 spectrum    1 weight  0.10000E+01 volume  0.12936E-01 ppm1      7.127 ppm2      7.468 CV     1
 OR { 3933}
   (  segid "    " and resid 54   and name HE% )
   (( segid "    " and resid 54   and name HZ  ))
 ASSI { 3934}
   (  segid "    " and resid 54   and name HE% )
   (( segid "    " and resid 11   and name HN  ))
      4.200     2.200     1.800 peak  3934 spectrum    1 weight  0.10000E+01 volume  0.52237E-03 ppm1      7.126 ppm2      9.243 CV     1
 ASSI { 3940}
   (( segid "    " and resid 54   and name HZ  ))
   (( segid "    " and resid 11   and name HG  ))
      3.600     1.600     1.600 peak  3940 spectrum    1 weight  0.10000E+01 volume  0.41236E-03 ppm1      7.463 ppm2      1.984 CV     1
 ASSI { 3941}
   (( segid "    " and resid 54   and name HZ  ))
   (( segid "    " and resid 7    and name HG11))
      4.500     2.600     1.500 peak  3941 spectrum    1 weight  0.10000E+01 volume  0.35337E-03 ppm1      7.464 ppm2      1.550 CV     1
 ASSI { 3942}
   (( segid "    " and resid 54   and name HZ  ))
   (  segid "    " and resid 54   and name HE% )
      2.100     0.500     0.500 peak  3942 spectrum    1 weight  0.10000E+01 volume  0.71472E-02 ppm1      7.464 ppm2      7.127 CV     1
 ASSI { 3945}
   (( segid "    " and resid 54   and name HZ  ))
   (  segid "    " and resid 7    and name HG2%)
      3.500     1.600     1.600 peak  3945 spectrum    1 weight  0.10000E+01 volume  0.52689E-03 ppm1      7.463 ppm2      0.560 CV     1
 ASSI { 3946}
   (( segid "    " and resid 54   and name HZ  ))
   (( segid "    " and resid 11   and name HN  ))
      3.600     1.600     1.600 peak  3946 spectrum    1 weight  0.10000E+01 volume  0.53781E-03 ppm1      7.463 ppm2      9.233 CV     1
 ASSI { 3950}
   (  segid "    " and resid 75   and name HD% )
   (( segid "    " and resid 59   and name HD2 ))
      5.200     3.400     0.800 peak  3950 spectrum    1 weight  0.10000E+01 volume  0.26110E-03 ppm1      6.814 ppm2      3.823 CV     1
 ASSI { 3952}
   (  segid "    " and resid 75   and name HD% )
   (( segid "    " and resid 75   and name HB1 ))
      2.300     0.600     0.600 peak  3952 spectrum    1 weight  0.10000E+01 volume  0.59957E-02 ppm1      6.821 ppm2      3.111 CV     1
 OR { 3952}
   (  segid "    " and resid 75   and name HD% )
   (( segid "    " and resid 75   and name HB2 ))
 ASSI { 3954}
   (  segid "    " and resid 75   and name HD% )
   (( segid "    " and resid 62   and name HB2 ))
      3.600     1.600     1.600 peak  3954 spectrum    1 weight  0.10000E+01 volume  0.67991E-03 ppm1      6.822 ppm2      2.414 CV     1
 OR { 3954}
   (  segid "    " and resid 75   and name HD% )
   (( segid "    " and resid 62   and name HB1 ))
 ASSI { 3960}
   (  segid "    " and resid 75   and name HD% )
   (( segid "    " and resid 58   and name HA  ))
      4.600     2.700     1.400 peak  3960 spectrum    1 weight  0.10000E+01 volume  0.51611E-03 ppm1      6.826 ppm2      4.522 CV     1
 ASSI { 3962}
   (  segid "    " and resid 75   and name HD% )
   (( segid "    " and resid 74   and name HN  ))
      5.300     3.500     0.700 peak  3962 spectrum    1 weight  0.10000E+01 volume  0.48556E-03 ppm1      6.822 ppm2      8.065 CV     1
 ASSI { 3963}
   (  segid "    " and resid 75   and name HD% )
   (( segid "    " and resid 75   and name HN  ))
      4.500     2.500     1.500 peak  3963 spectrum    1 weight  0.10000E+01 volume  0.80224E-03 ppm1      6.822 ppm2      7.942 CV     1
 ASSI { 3964}
   (  segid "    " and resid 75   and name HD% )
   (( segid "    " and resid 79   and name HD2 ))
      3.700     1.800     1.800 peak  3964 spectrum    1 weight  0.10000E+01 volume  0.45177E-03 ppm1      6.821 ppm2      7.011 CV     1
 ASSI { 3967}
   (  segid "    " and resid 75   and name HE% )
   (( segid "    " and resid 75   and name HN  ))
      6.000     4.700     0.000 peak  3967 spectrum    1 weight  0.10000E+01 volume  0.20194E-03 ppm1      6.549 ppm2      7.963 CV     1
 ASSI { 3969}
   (  segid "    " and resid 75   and name HE% )
   (  segid "    " and resid 75   and name HD% )
      1.800     0.400     0.400 peak  3969 spectrum    1 weight  0.10000E+01 volume  0.26397E-01 ppm1      6.552 ppm2      6.819 CV     1
 ASSI { 3971}
   (  segid "    " and resid 75   and name HE% )
   (( segid "    " and resid 57   and name HA  ))
      3.400     3.400     2.600 peak  3971 spectrum    1 weight  0.10000E+01 volume  0.29927E-03 ppm1      6.556 ppm2      4.762 CV     1
 ASSI { 3974}
   (  segid "    " and resid 75   and name HE% )
   (( segid "    " and resid 59   and name HD2 ))
      3.600     1.600     1.600 peak  3974 spectrum    1 weight  0.10000E+01 volume  0.12815E-02 ppm1      6.552 ppm2      3.814 CV     1
 ASSI { 3977}
   (  segid "    " and resid 75   and name HE% )
   (( segid "    " and resid 75   and name HB1 ))
      3.700     1.700     1.700 peak  3977 spectrum    1 weight  0.10000E+01 volume  0.21334E-02 ppm1      6.551 ppm2      3.115 CV     1
 OR { 3977}
   (  segid "    " and resid 75   and name HE% )
   (( segid "    " and resid 75   and name HB2 ))
 ASSI { 3981}
   (  segid "    " and resid 75   and name HE% )
   (( segid "    " and resid 58   and name HB  ))
      4.300     2.300     1.700 peak  3981 spectrum    1 weight  0.10000E+01 volume  0.81617E-03 ppm1      6.552 ppm2      1.679 CV     1
 ASSI { 3982}
   (  segid "    " and resid 75   and name HE% )
   (( segid "    " and resid 58   and name HG11))
      2.600     0.900     0.900 peak  3982 spectrum    1 weight  0.10000E+01 volume  0.16806E-02 ppm1      6.552 ppm2      1.531 CV     1
 ASSI { 3984}
   (  segid "    " and resid 75   and name HD% )
   (( segid "    " and resid 58   and name HB  ))
      5.500     3.700     0.500 peak  3984 spectrum    1 weight  0.10000E+01 volume  0.22912E-03 ppm1      6.823 ppm2      1.660 CV     1
 ASSI { 3989}
   (  segid "    " and resid 75   and name HD% )
   (  segid "    " and resid 66   and name HD1%)
      3.200     1.300     1.300 peak  3989 spectrum    1 weight  0.10000E+01 volume  0.92534E-03 ppm1      6.824 ppm2      0.400 CV     1
 ASSI { 3994}
   (  segid "    " and resid 75   and name HE% )
   (  segid "    " and resid 58   and name HG2%)
      2.700     0.900     0.900 peak  3994 spectrum    1 weight  0.10000E+01 volume  0.23752E-02 ppm1      6.549 ppm2      0.338 CV     1
 ASSI { 3995}
   (  segid "    " and resid 75   and name HE% )
   (( segid "    " and resid 58   and name HG12))
      2.800     1.000     1.000 peak  3995 spectrum    1 weight  0.10000E+01 volume  0.39312E-02 ppm1      6.552 ppm2      0.855 CV     1
 ASSI { 3999}
   (( segid "    " and resid 30   and name HD1 ))
   (( segid "    " and resid 27   and name HN  ))
      4.600     2.600     1.400 peak  3999 spectrum    1 weight  0.10000E+01 volume  0.49876E-03 ppm1      1.574 ppm2      6.345 CV     1
 ASSI { 4000}
   (( segid "    " and resid 30   and name HD2 ))
   (( segid "    " and resid 27   and name HN  ))
      5.000     3.200     1.000 peak  4000 spectrum    1 weight  0.10000E+01 volume  0.43399E-03 ppm1      1.482 ppm2      6.344 CV     1
 ASSI { 4001}
   (( segid "    " and resid 30   and name HD2 ))
   (( segid "    " and resid 30   and name HN  ))
      4.800     2.900     1.200 peak  4001 spectrum    1 weight  0.10000E+01 volume  0.30961E-03 ppm1      1.483 ppm2      7.510 CV     1
 ASSI { 4008}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name H38A))
      4.800     2.900     1.200 peak  4008 spectrum    1 weight  0.10000E+01 volume  0.20664E-03 ppm1      4.154 ppm2      2.451 CV     1
 OR { 4008}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name H38B))
 OR { 4008}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 40   and name H38A))
 OR { 4008}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 40   and name H38B))
 ASSI { 4013}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 58   and name HN  ))
      2.500     0.800     0.800 peak  4013 spectrum    1 weight  0.10000E+01 volume  0.27318E-02 ppm1      1.686 ppm2      9.880 CV     1
 ASSI { 4024}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 16   and name HN  ))
      5.800     4.300     0.200 peak  4024 spectrum    1 weight  0.10000E+01 volume  0.18101E-03 ppm1      1.687 ppm2      8.721 CV     1
 ASSI { 4028}
   (  segid "    " and resid 14   and name HG2%)
   (  segid "    " and resid 49   and name HB% )
      2.400     0.700     0.700 peak  4028 spectrum    1 weight  0.10000E+01 volume  0.59025E-02 ppm1      1.067 ppm2      1.534 CV     1
 ASSI { 4033}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      2.500     0.800     0.800 peak  4033 spectrum    1 weight  0.10000E+01 volume  0.48693E-02 ppm1      4.044 ppm2      9.247 CV     1
 ASSI { 4034}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      5.300     3.500     0.700 peak  4034 spectrum    1 weight  0.10000E+01 volume  0.18421E-03 ppm1      4.041 ppm2      8.501 CV     1
 ASSI { 4035}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      3.400     1.400     1.400 peak  4035 spectrum    1 weight  0.10000E+01 volume  0.14042E-02 ppm1      4.044 ppm2      7.748 CV     1
 ASSI { 4036}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      3.700     1.700     1.700 peak  4036 spectrum    1 weight  0.10000E+01 volume  0.10235E-02 ppm1      4.043 ppm2      7.489 CV     1
 ASSI { 4037}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 25   and name HA  ))
      4.300     2.300     1.700 peak  4037 spectrum    1 weight  0.10000E+01 volume  0.47884E-03 ppm1      4.046 ppm2      4.606 CV     1
 ASSI { 4038}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 23   and name HA  ))
      3.900     1.900     1.900 peak  4038 spectrum    1 weight  0.10000E+01 volume  0.55170E-03 ppm1      4.047 ppm2      3.610 CV     1
 ASSI { 4040}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 25   and name HB1 ))
      5.600     3.900     0.400 peak  4040 spectrum    1 weight  0.10000E+01 volume  0.25021E-03 ppm1      4.044 ppm2      2.695 CV     1
 ASSI { 4041}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HB2 ))
      2.100     0.600     0.600 peak  4041 spectrum    1 weight  0.10000E+01 volume  0.16590E-01 ppm1      4.044 ppm2      1.999 CV     1
 OR { 4041}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HB1 ))
 ASSI { 4044}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 27   and name HE2 ))
      4.600     2.700     1.400 peak  4044 spectrum    1 weight  0.10000E+01 volume  0.24687E-03 ppm1      1.996 ppm2      3.062 CV     1
 OR { 4044}
   (( segid "    " and resid 24   and name HB1 ))
   (( segid "    " and resid 27   and name HE2 ))
 OR { 4044}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 27   and name HE1 ))
 OR { 4044}
   (( segid "    " and resid 24   and name HB1 ))
   (( segid "    " and resid 27   and name HE1 ))
 ASSI { 4045}
   (( segid "    " and resid 24   and name HB1 ))
   (( segid "    " and resid 24   and name HG1 ))
      2.000     0.500     0.500 peak  4045 spectrum    1 weight  0.10000E+01 volume  0.23135E-01 ppm1      2.000 ppm2      2.282 CV     1
 OR { 4045}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 24   and name HG2 ))
 OR { 4045}
   (( segid "    " and resid 24   and name HB1 ))
   (( segid "    " and resid 24   and name HG2 ))
 OR { 4045}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 24   and name HG1 ))
 ASSI { 4050}
   (( segid "    " and resid 24   and name HB1 ))
   (( segid "    " and resid 23   and name HN  ))
      4.500     2.600     1.500 peak  4050 spectrum    1 weight  0.10000E+01 volume  0.42589E-03 ppm1      1.997 ppm2      8.518 CV     1
 OR { 4050}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
 ASSI { 4051}
   (( segid "    " and resid 24   and name HG1 ))
   (( segid "    " and resid 22   and name HB2 ))
      3.600     1.600     1.600 peak  4051 spectrum    1 weight  0.10000E+01 volume  0.74967E-03 ppm1      2.284 ppm2      1.768 CV     1
 OR { 4051}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 22   and name HB2 ))
 ASSI { 4052}
   (( segid "    " and resid 24   and name HG1 ))
   (( segid "    " and resid 25   and name HA  ))
      4.700     2.800     1.300 peak  4052 spectrum    1 weight  0.10000E+01 volume  0.31979E-03 ppm1      2.287 ppm2      4.606 CV     1
 OR { 4052}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 25   and name HA  ))
 ASSI { 4053}
   (( segid "    " and resid 24   and name HG1 ))
   (( segid "    " and resid 26   and name HN  ))
      5.400     3.700     0.600 peak  4053 spectrum    1 weight  0.10000E+01 volume  0.24229E-03 ppm1      2.290 ppm2      7.478 CV     1
 OR { 4053}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 26   and name HN  ))
 ASSI { 4054}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 24   and name HN  ))
      2.800     1.000     1.000 peak  4054 spectrum    1 weight  0.10000E+01 volume  0.30442E-02 ppm1      2.288 ppm2      9.246 CV     1
 OR { 4054}
   (( segid "    " and resid 24   and name HG1 ))
   (( segid "    " and resid 24   and name HN  ))
 ASSI { 4055}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 23   and name HN  ))
      4.400     2.400     1.600 peak  4055 spectrum    1 weight  0.10000E+01 volume  0.33865E-03 ppm1      2.284 ppm2      8.504 CV     1
 OR { 4055}
   (( segid "    " and resid 24   and name HG1 ))
   (( segid "    " and resid 23   and name HN  ))
 ASSI { 4059}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HB2 ))
      3.000     1.100     1.100 peak  4059 spectrum    1 weight  0.10000E+01 volume  0.24966E-02 ppm1      4.635 ppm2      1.534 CV     1
 ASSI { 4061}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HG1 ))
      2.500     0.800     0.800 peak  4061 spectrum    1 weight  0.10000E+01 volume  0.46865E-02 ppm1      4.637 ppm2      1.338 CV     1
 OR { 4061}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HG2 ))
 ASSI { 4063}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HB1 ))
      2.400     0.700     0.700 peak  4063 spectrum    1 weight  0.10000E+01 volume  0.49177E-02 ppm1      4.635 ppm2      2.056 CV     1
 ASSI { 4064}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 28   and name HA  ))
      3.600     1.600     1.600 peak  4064 spectrum    1 weight  0.10000E+01 volume  0.86879E-03 ppm1      4.638 ppm2      3.562 CV     1
 ASSI { 4065}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      2.700     0.900     0.900 peak  4065 spectrum    1 weight  0.10000E+01 volume  0.22608E-02 ppm1      4.636 ppm2      6.352 CV     1
 ASSI { 4066}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 28   and name HN  ))
      2.500     0.800     0.800 peak  4066 spectrum    1 weight  0.10000E+01 volume  0.45142E-02 ppm1      4.634 ppm2      8.462 CV     1
 ASSI { 4067}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 28   and name HA  ))
      4.700     2.800     1.300 peak  4067 spectrum    1 weight  0.10000E+01 volume  0.26708E-03 ppm1      2.073 ppm2      3.580 CV     1
 ASSI { 4068}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 27   and name HE2 ))
      4.600     2.600     1.400 peak  4068 spectrum    1 weight  0.10000E+01 volume  0.69755E-03 ppm1      2.062 ppm2      3.040 CV     1
 OR { 4068}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 27   and name HE1 ))
 ASSI { 4069}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HE1 ))
      4.600     2.600     1.400 peak  4069 spectrum    1 weight  0.10000E+01 volume  0.66132E-03 ppm1      1.544 ppm2      3.034 CV     1
 OR { 4069}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HE2 ))
 ASSI { 4070}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 30   and name HE2 ))
      3.700     1.700     1.700 peak  4070 spectrum    1 weight  0.10000E+01 volume  0.66128E-03 ppm1      1.537 ppm2      2.977 CV     1
 ASSI { 4071}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 27   and name HG1 ))
      2.300     0.700     0.700 peak  4071 spectrum    1 weight  0.10000E+01 volume  0.80685E-02 ppm1      2.064 ppm2      1.338 CV     1
 OR { 4071}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 27   and name HG2 ))
 ASSI { 4072}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HG2 ))
      2.100     0.500     0.500 peak  4072 spectrum    1 weight  0.10000E+01 volume  0.95015E-02 ppm1      1.540 ppm2      1.338 CV     1
 OR { 4072}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HG1 ))
 ASSI { 4079}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 26   and name HN  ))
      4.700     2.800     1.300 peak  4079 spectrum    1 weight  0.10000E+01 volume  0.27632E-03 ppm1      1.538 ppm2      7.493 CV     1
 ASSI { 4084}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 29   and name HN  ))
      3.300     1.400     1.400 peak  4084 spectrum    1 weight  0.10000E+01 volume  0.91630E-03 ppm1      2.064 ppm2      8.378 CV     1
 ASSI { 4087}
   (( segid "    " and resid 27   and name HD1 ))
   (( segid "    " and resid 27   and name HG2 ))
      2.500     0.800     0.800 peak  4087 spectrum    1 weight  0.10000E+01 volume  0.52109E-02 ppm1      1.736 ppm2      1.340 CV     1
 OR { 4087}
   (( segid "    " and resid 27   and name HD1 ))
   (( segid "    " and resid 27   and name HG1 ))
 ASSI { 4088}
   (( segid "    " and resid 27   and name HD1 ))
   (( segid "    " and resid 27   and name HN  ))
      5.500     3.800     0.500 peak  4088 spectrum    1 weight  0.10000E+01 volume  0.18728E-03 ppm1      1.736 ppm2      6.364 CV     1
 ASSI { 4089}
   (( segid "    " and resid 27   and name HD2 ))
   (( segid "    " and resid 27   and name HN  ))
      5.600     3.900     0.400 peak  4089 spectrum    1 weight  0.10000E+01 volume  0.14473E-03 ppm1      1.634 ppm2      6.358 CV     1
 ASSI { 4091}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 67   and name HB1 ))
      4.500     2.500     1.500 peak  4091 spectrum    1 weight  0.10000E+01 volume  0.51557E-03 ppm1      4.485 ppm2      2.050 CV     1
 OR { 4091}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 67   and name HB2 ))
 ASSI { 4093}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HN  ))
      2.800     1.000     1.000 peak  4093 spectrum    1 weight  0.10000E+01 volume  0.19400E-02 ppm1      4.487 ppm2      7.713 CV     1
 ASSI { 4098}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
      4.700     2.800     1.300 peak  4098 spectrum    1 weight  0.10000E+01 volume  0.41725E-03 ppm1      2.599 ppm2      7.508 CV     1
 ASSI { 4100}
   (( segid "    " and resid 80   and name HA  ))
   (  segid "    " and resid 56   and name HG2%)
      2.600     0.900     0.900 peak  4100 spectrum    1 weight  0.10000E+01 volume  0.40660E-02 ppm1      4.418 ppm2      0.955 CV     1
 OR { 4100}
   (( segid "    " and resid 80   and name HA  ))
   (  segid "    " and resid 56   and name HG1%)
 ASSI { 4101}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 40   and name H42A))
      4.500     2.500     1.500 peak  4101 spectrum    1 weight  0.10000E+01 volume  0.32133E-03 ppm1      1.123 ppm2      3.181 CV     1
 OR { 4101}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 40   and name H42B))
 ASSI { 4104}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 40   and name H3A ))
      3.900     1.900     1.900 peak  4104 spectrum    1 weight  0.10000E+01 volume  0.52196E-03 ppm1      1.595 ppm2      1.159 CV     1
 OR { 4104}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 40   and name H3B ))
 ASSI { 4106}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 40   and name H3A ))
      3.600     1.700     1.700 peak  4106 spectrum    1 weight  0.10000E+01 volume  0.48158E-03 ppm1      1.592 ppm2      1.226 CV     1
 ASSI { 4109}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HN  ))
      2.400     0.700     0.700 peak  4109 spectrum    1 weight  0.10000E+01 volume  0.24187E-02 ppm1      4.439 ppm2      8.551 CV     1
 ASSI { 4111}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      4.300     2.300     1.700 peak  4111 spectrum    1 weight  0.10000E+01 volume  0.94928E-03 ppm1      4.440 ppm2      8.862 CV     1
 ASSI { 4112}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
      2.300     0.700     0.700 peak  4112 spectrum    1 weight  0.10000E+01 volume  0.71892E-02 ppm1      4.440 ppm2      9.235 CV     1
 ASSI { 4114}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 6    and name HN  ))
      4.300     2.300     1.700 peak  4114 spectrum    1 weight  0.10000E+01 volume  0.47130E-03 ppm1      4.441 ppm2      7.688 CV     1
 ASSI { 4115}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 2    and name HA  ))
      3.900     1.900     1.900 peak  4115 spectrum    1 weight  0.10000E+01 volume  0.72162E-03 ppm1      4.439 ppm2      4.836 CV     1
 ASSI { 4116}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HB1 ))
      4.300     2.300     1.700 peak  4116 spectrum    1 weight  0.10000E+01 volume  0.13841E-02 ppm1      4.439 ppm2      2.198 CV     1
 ASSI { 4117}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HB2 ))
      4.100     2.100     1.900 peak  4117 spectrum    1 weight  0.10000E+01 volume  0.10427E-02 ppm1      4.439 ppm2      2.044 CV     1
 ASSI { 4119}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 3    and name HG2%)
      2.300     0.600     0.600 peak  4119 spectrum    1 weight  0.10000E+01 volume  0.93165E-02 ppm1      4.440 ppm2      1.363 CV     1
 ASSI { 4121}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 77   and name HD2%)
      2.700     0.900     0.900 peak  4121 spectrum    1 weight  0.10000E+01 volume  0.20603E-02 ppm1      4.439 ppm2      0.823 CV     1
 OR { 4121}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI { 4123}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 3    and name HB  ))
      2.200     0.600     0.600 peak  4123 spectrum    1 weight  0.10000E+01 volume  0.90840E-02 ppm1      1.365 ppm2      4.723 CV     1
 ASSI { 4125}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 6    and name HA  ))
      5.500     3.700     0.500 peak  4125 spectrum    1 weight  0.10000E+01 volume  0.34459E-03 ppm1      1.359 ppm2      4.156 CV     1
 ASSI { 4126}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 4    and name HN  ))
      4.500     2.500     1.500 peak  4126 spectrum    1 weight  0.10000E+01 volume  0.12859E-02 ppm1      1.366 ppm2      9.232 CV     1
 ASSI { 4127}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 2    and name HN  ))
      4.000     2.000     2.000 peak  4127 spectrum    1 weight  0.10000E+01 volume  0.59395E-03 ppm1      1.365 ppm2      8.855 CV     1
 ASSI { 4129}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 3    and name HN  ))
      2.400     0.700     0.700 peak  4129 spectrum    1 weight  0.10000E+01 volume  0.59258E-02 ppm1      1.366 ppm2      8.552 CV     1
 ASSI { 4130}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 6    and name HN  ))
      4.800     2.800     1.200 peak  4130 spectrum    1 weight  0.10000E+01 volume  0.63602E-03 ppm1      1.362 ppm2      7.692 CV     1
 ASSI { 4133}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 5    and name HB1 ))
      5.300     3.500     0.700 peak  4133 spectrum    1 weight  0.10000E+01 volume  0.48167E-03 ppm1      1.368 ppm2      2.098 CV     1
 ASSI { 4134}
   (  segid "    " and resid 38   and name HG1%)
   (  segid "    " and resid 32   and name HD% )
      3.100     1.200     1.200 peak  4134 spectrum    1 weight  0.10000E+01 volume  0.33939E-02 ppm1      0.945 ppm2      7.191 CV     1
 OR { 4134}
   (  segid "    " and resid 38   and name HG2%)
   (  segid "    " and resid 32   and name HD% )
 ASSI { 4135}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 38   and name HN  ))
      2.300     0.600     0.600 peak  4135 spectrum    1 weight  0.10000E+01 volume  0.65680E-02 ppm1      0.947 ppm2      8.088 CV     1
 OR { 4135}
   (  segid "    " and resid 38   and name HG1%)
   (( segid "    " and resid 38   and name HN  ))
 ASSI { 4136}
   (  segid "    " and resid 38   and name HG1%)
   (( segid "    " and resid 37   and name HN  ))
      4.200     2.200     1.800 peak  4136 spectrum    1 weight  0.10000E+01 volume  0.64648E-03 ppm1      0.943 ppm2      7.337 CV     1
 ASSI { 4140}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 4    and name HE22))
      5.500     3.800     0.500 peak  4140 spectrum    1 weight  0.10000E+01 volume  0.38865E-03 ppm1      2.042 ppm2      7.513 CV     1
 ASSI { 4141}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 54   and name HB1 ))
      4.900     3.000     1.100 peak  4141 spectrum    1 weight  0.10000E+01 volume  0.24865E-03 ppm1      1.572 ppm2      3.438 CV     1
 ASSI { 4143}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 3    and name HN  ))
      4.300     2.300     1.700 peak  4143 spectrum    1 weight  0.10000E+01 volume  0.31705E-03 ppm1      3.709 ppm2      8.513 CV     1
 ASSI { 4144}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 3    and name HB  ))
      5.300     3.500     0.700 peak  4144 spectrum    1 weight  0.10000E+01 volume  0.34543E-03 ppm1      3.701 ppm2      4.721 CV     1
 ASSI { 4147}
   (( segid "    " and resid 4    and name HG1 ))
   (( segid "    " and resid 4    and name HE21))
      4.600     2.700     1.400 peak  4147 spectrum    1 weight  0.10000E+01 volume  0.33406E-03 ppm1      2.229 ppm2      6.834 CV     1
 ASSI { 4148}
   (( segid "    " and resid 4    and name HG2 ))
   (( segid "    " and resid 4    and name HE21))
      3.200     1.300     1.300 peak  4148 spectrum    1 weight  0.10000E+01 volume  0.32384E-03 ppm1      2.156 ppm2      6.832 CV     1
 ASSI { 4152}
   (( segid "    " and resid 6    and name HG2 ))
   (  segid "    " and resid 3    and name HG2%)
      4.700     2.800     1.300 peak  4152 spectrum    1 weight  0.10000E+01 volume  0.33386E-03 ppm1      2.377 ppm2      1.367 CV     1
 ASSI { 4153}
   (( segid "    " and resid 6    and name HG2 ))
   (( segid "    " and resid 7    and name HG11))
      4.600     2.700     1.400 peak  4153 spectrum    1 weight  0.10000E+01 volume  0.73834E-03 ppm1      2.378 ppm2      1.556 CV     1
 ASSI { 4154}
   (( segid "    " and resid 6    and name HB1 ))
   (( segid "    " and resid 2    and name HA  ))
      4.000     2.000     2.000 peak  4154 spectrum    1 weight  0.10000E+01 volume  0.62263E-03 ppm1      2.498 ppm2      4.829 CV     1
 ASSI { 4158}
   (( segid "    " and resid 8    and name HB  ))
   (  segid "    " and resid 7    and name HG2%)
      4.800     2.900     1.200 peak  4158 spectrum    1 weight  0.10000E+01 volume  0.44511E-03 ppm1      2.019 ppm2      0.563 CV     1
 ASSI { 4160}
   (  segid "    " and resid 9    and name HB% )
   (( segid "    " and resid 6    and name HA  ))
      2.600     0.800     0.800 peak  4160 spectrum    1 weight  0.10000E+01 volume  0.57157E-02 ppm1      1.521 ppm2      4.139 CV     1
 ASSI { 4168}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 44   and name HA  ))
      3.100     1.200     1.200 peak  4168 spectrum    1 weight  0.10000E+01 volume  0.22210E-02 ppm1      0.905 ppm2      3.588 CV     1
 ASSI { 4169}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 40   and name H28A))
      3.900     1.900     1.900 peak  4169 spectrum    1 weight  0.10000E+01 volume  0.86317E-03 ppm1      0.906 ppm2      3.746 CV     1
 ASSI { 4170}
   (( segid "    " and resid 41   and name HG  ))
   (( segid "    " and resid 40   and name H28B))
      5.000     3.100     1.000 peak  4170 spectrum    1 weight  0.10000E+01 volume  0.28443E-03 ppm1      1.726 ppm2      3.428 CV     1
 ASSI { 4178}
   (  segid "    " and resid 76   and name HG2%)
   (  segid "    " and resid 76   and name HD1%)
      2.800     1.000     1.000 peak  4178 spectrum    1 weight  0.10000E+01 volume  0.16955E-02 ppm1      0.535 ppm2      0.639 CV     1
 ASSI { 4182}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 43   and name HA  ))
      2.900     1.100     1.100 peak  4182 spectrum    1 weight  0.10000E+01 volume  0.24812E-02 ppm1      1.450 ppm2      3.975 CV     1
 ASSI { 4183}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 43   and name HN  ))
      3.600     1.600     1.600 peak  4183 spectrum    1 weight  0.10000E+01 volume  0.76227E-03 ppm1      1.450 ppm2      8.371 CV     1
 ASSI { 4184}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name HA  ))
      3.200     1.200     1.200 peak  4184 spectrum    1 weight  0.10000E+01 volume  0.13451E-02 ppm1      1.455 ppm2      4.148 CV     1
 ASSI { 4185}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 33   and name HA  ))
      3.300     3.300     2.700 peak  4185 spectrum    1 weight  0.10000E+01 volume  0.37676E-03 ppm1      1.453 ppm2      4.486 CV     1
 ASSI { 4187}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name H28A))
      3.200     3.200     2.800 peak  4187 spectrum    1 weight  0.10000E+01 volume  0.42961E-03 ppm1      1.453 ppm2      3.745 CV     1
 ASSI { 4189}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name H28B))
      3.000     3.000     3.000 peak  4189 spectrum    1 weight  0.10000E+01 volume  0.61514E-03 ppm1      1.452 ppm2      3.436 CV     1
 ASSI { 4190}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 43   and name HG1 ))
      2.300     0.700     0.700 peak  4190 spectrum    1 weight  0.10000E+01 volume  0.86518E-02 ppm1      1.450 ppm2      2.286 CV     1
 OR { 4190}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 43   and name HG2 ))
 ASSI { 4193}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name H43A))
      3.000     1.100     1.100 peak  4193 spectrum    1 weight  0.10000E+01 volume  0.13844E-02 ppm1      1.451 ppm2      2.813 CV     1
 OR { 4193}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name H43B))
 ASSI { 4198}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 32   and name HD% )
      3.000     1.100     1.100 peak  4198 spectrum    1 weight  0.10000E+01 volume  0.16125E-02 ppm1      1.450 ppm2      7.190 CV     1
 ASSI { 4200}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 32   and name HE% )
      3.300     1.300     1.300 peak  4200 spectrum    1 weight  0.10000E+01 volume  0.10983E-02 ppm1      1.450 ppm2      6.987 CV     1
 ASSI { 4201}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 32   and name HZ  ))
      3.000     3.000     3.000 peak  4201 spectrum    1 weight  0.10000E+01 volume  0.56430E-03 ppm1      1.451 ppm2      6.850 CV     1
 ASSI { 4204}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name H3B ))
      2.600     0.900     0.900 peak  4204 spectrum    1 weight  0.10000E+01 volume  0.16779E-02 ppm1      1.449 ppm2      1.104 CV     1
 ASSI {    5}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 30   and name HG1 ))
      4.900     3.000     1.100 peak     5 spectrum    1 weight  0.10000E+01 volume  0.41707E-03 ppm1      8.389 ppm2      1.808 CV     1
 ASSI {    6}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 27   and name HD2 ))
      5.300     3.500     0.700 peak     6 spectrum    1 weight  0.10000E+01 volume  0.13886E-03 ppm1      8.390 ppm2      1.647 CV     1
 ASSI {    8}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      3.400     1.400     1.400 peak     8 spectrum    1 weight  0.10000E+01 volume  0.10009E-02 ppm1      8.379 ppm2      1.521 CV     1
 ASSI {    9}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 68   and name HG2%)
      5.400     3.700     0.600 peak     9 spectrum    1 weight  0.10000E+01 volume  0.17222E-03 ppm1      8.380 ppm2      1.068 CV     1
 ASSI {   10}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 28   and name HD2%)
      4.900     3.000     1.100 peak    10 spectrum    1 weight  0.10000E+01 volume  0.41944E-03 ppm1      8.386 ppm2      0.908 CV     1
 ASSI {   11}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 30   and name HE2 ))
      5.300     3.500     0.700 peak    11 spectrum    1 weight  0.10000E+01 volume  0.12551E-03 ppm1      8.388 ppm2      2.940 CV     1
 ASSI {   12}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HB1 ))
      3.000     1.100     1.100 peak    12 spectrum    1 weight  0.10000E+01 volume  0.18257E-02 ppm1      8.385 ppm2      2.780 CV     1
 ASSI {   13}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      2.900     1.100     1.100 peak    13 spectrum    1 weight  0.10000E+01 volume  0.24356E-02 ppm1      8.386 ppm2      2.593 CV     1
 ASSI {   17}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HB1 ))
      3.000     1.100     1.100 peak    17 spectrum    1 weight  0.10000E+01 volume  0.24494E-02 ppm1      8.386 ppm2      1.736 CV     1
 ASSI {   18}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HB2 ))
      3.600     1.600     1.600 peak    18 spectrum    1 weight  0.10000E+01 volume  0.14337E-02 ppm1      8.386 ppm2      1.465 CV     1
 ASSI {   19}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      3.900     1.900     1.900 peak    19 spectrum    1 weight  0.10000E+01 volume  0.62633E-03 ppm1      8.388 ppm2      1.372 CV     1
 ASSI {   20}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 27   and name HG2 ))
      4.500     2.600     1.500 peak    20 spectrum    1 weight  0.10000E+01 volume  0.98865E-03 ppm1      8.389 ppm2      1.340 CV     1
 OR {   20}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 27   and name HG1 ))
 ASSI {   21}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      3.400     1.400     1.400 peak    21 spectrum    1 weight  0.10000E+01 volume  0.86651E-03 ppm1      8.386 ppm2      3.580 CV     1
 ASSI {   23}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      2.600     0.800     0.800 peak    23 spectrum    1 weight  0.10000E+01 volume  0.31736E-02 ppm1      8.387 ppm2      7.500 CV     1
 ASSI {   27}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      2.600     0.900     0.900 peak    27 spectrum    1 weight  0.10000E+01 volume  0.21809E-02 ppm1      8.389 ppm2      8.467 CV     1
 ASSI {   35}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HB1 ))
      3.900     1.900     1.900 peak    35 spectrum    1 weight  0.10000E+01 volume  0.11958E-02 ppm1      7.837 ppm2      3.255 CV     1
 ASSI {   43}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      3.500     1.500     1.500 peak    43 spectrum    1 weight  0.10000E+01 volume  0.84655E-03 ppm1      7.837 ppm2      4.123 CV     1
 ASSI {   44}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      2.100     0.600     0.600 peak    44 spectrum    1 weight  0.10000E+01 volume  0.10124E-01 ppm1      7.837 ppm2      4.490 CV     1
 ASSI {   47}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      3.500     1.500     1.500 peak    47 spectrum    1 weight  0.10000E+01 volume  0.10199E-02 ppm1      7.838 ppm2      4.846 CV     1
 ASSI {   56}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HN  ))
      2.300     0.700     0.700 peak    56 spectrum    1 weight  0.10000E+01 volume  0.37277E-02 ppm1      7.837 ppm2      8.127 CV     1
 ASSI {   60}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      3.100     1.200     1.200 peak    60 spectrum    1 weight  0.10000E+01 volume  0.12509E-02 ppm1      8.840 ppm2      4.821 CV     1
 ASSI {   65}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 1    and name HA  ))
      2.500     0.800     0.800 peak    65 spectrum    1 weight  0.10000E+01 volume  0.38687E-02 ppm1      8.841 ppm2      4.031 CV     1
 ASSI {   71}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 80   and name HG2 ))
      5.100     3.300     0.900 peak    71 spectrum    1 weight  0.10000E+01 volume  0.21812E-03 ppm1      8.841 ppm2      2.584 CV     1
 ASSI {   79}
   (( segid "    " and resid 2    and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
      4.800     2.900     1.200 peak    79 spectrum    1 weight  0.10000E+01 volume  0.19340E-03 ppm1      8.838 ppm2      0.821 CV     1
 OR {   79}
   (( segid "    " and resid 2    and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI {   83}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 80   and name HE22))
      3.800     1.800     1.800 peak    83 spectrum    1 weight  0.10000E+01 volume  0.60313E-03 ppm1      8.843 ppm2      7.740 CV     1
 ASSI {   84}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 80   and name HE21))
      3.500     1.600     1.600 peak    84 spectrum    1 weight  0.10000E+01 volume  0.13328E-02 ppm1      8.842 ppm2      7.652 CV     1
 ASSI {   86}
   (( segid "    " and resid 2    and name HN  ))
   (  segid "    " and resid 54   and name HD% )
      5.200     3.400     0.800 peak    86 spectrum    1 weight  0.10000E+01 volume  0.18156E-03 ppm1      8.844 ppm2      7.473 CV     1
 OR {   86}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 54   and name HZ  ))
 ASSI {   89}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      2.200     0.600     0.600 peak    89 spectrum    1 weight  0.10000E+01 volume  0.74523E-02 ppm1      8.552 ppm2      4.828 CV     1
 ASSI {   90}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HB  ))
      3.800     1.800     1.800 peak    90 spectrum    1 weight  0.10000E+01 volume  0.55992E-03 ppm1      8.547 ppm2      4.715 CV     1
 ASSI {   97}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      5.600     3.900     0.400 peak    97 spectrum    1 weight  0.10000E+01 volume  0.30973E-03 ppm1      8.549 ppm2      4.136 CV     1
 ASSI {  100}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 6    and name HB1 ))
      1.900     0.400     0.400 peak   100 spectrum    1 weight  0.10000E+01 volume  0.34299E-02 ppm1      8.552 ppm2      2.495 CV     1
 ASSI {  101}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 6    and name HG2 ))
      3.800     1.800     1.800 peak   101 spectrum    1 weight  0.10000E+01 volume  0.10843E-02 ppm1      8.552 ppm2      2.386 CV     1
 OR {  101}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 6    and name HG1 ))
 ASSI {  105}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
      4.800     2.900     1.200 peak   105 spectrum    1 weight  0.10000E+01 volume  0.16776E-03 ppm1      8.553 ppm2      0.815 CV     1
 OR {  105}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI {  107}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 7    and name HG12))
      6.000     4.500     0.000 peak   107 spectrum    1 weight  0.10000E+01 volume  0.12671E-03 ppm1      8.551 ppm2      0.243 CV     1
 ASSI {  108}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 4    and name HN  ))
      4.600     2.600     1.400 peak   108 spectrum    1 weight  0.10000E+01 volume  0.24544E-03 ppm1      8.549 ppm2      9.249 CV     1
 ASSI {  122}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
      2.500     0.800     0.800 peak   122 spectrum    1 weight  0.10000E+01 volume  0.38739E-02 ppm1      9.236 ppm2      2.177 CV     1
 OR {  122}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HG2 ))
 ASSI {  123}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HB2 ))
      2.500     0.800     0.800 peak   123 spectrum    1 weight  0.10000E+01 volume  0.29519E-02 ppm1      9.237 ppm2      2.035 CV     1
 ASSI {  126}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
      5.600     3.900     0.400 peak   126 spectrum    1 weight  0.10000E+01 volume  0.16704E-03 ppm1      9.239 ppm2      1.635 CV     1
 OR {  126}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 77   and name HG  ))
 ASSI {  134}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
      3.400     1.500     1.500 peak   134 spectrum    1 weight  0.10000E+01 volume  0.17692E-02 ppm1      9.235 ppm2      0.823 CV     1
 OR {  134}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI {  139}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HB  ))
      2.100     0.500     0.500 peak   139 spectrum    1 weight  0.10000E+01 volume  0.37123E-02 ppm1      9.236 ppm2      4.723 CV     1
 ASSI {  142}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 5    and name HN  ))
      2.800     1.000     1.000 peak   142 spectrum    1 weight  0.10000E+01 volume  0.15034E-02 ppm1      9.234 ppm2      8.865 CV     1
 ASSI {  145}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      4.200     2.200     1.800 peak   145 spectrum    1 weight  0.10000E+01 volume  0.35404E-03 ppm1      9.236 ppm2      7.691 CV     1
 ASSI {  155}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 3    and name HN  ))
      3.900     1.900     1.900 peak   155 spectrum    1 weight  0.10000E+01 volume  0.15638E-02 ppm1      8.865 ppm2      8.587 CV     1
 ASSI {  160}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      2.500     0.800     0.800 peak   160 spectrum    1 weight  0.10000E+01 volume  0.28740E-02 ppm1      8.865 ppm2      7.693 CV     1
 ASSI {  163}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 3    and name HB  ))
      3.300     1.400     1.400 peak   163 spectrum    1 weight  0.10000E+01 volume  0.17908E-02 ppm1      8.863 ppm2      4.722 CV     1
 ASSI {  167}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 6    and name HG1 ))
      5.800     4.300     0.200 peak   167 spectrum    1 weight  0.10000E+01 volume  0.26194E-03 ppm1      8.865 ppm2      2.406 CV     1
 OR {  167}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 6    and name HG2 ))
 ASSI {  168}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HG2 ))
      3.500     1.500     1.500 peak   168 spectrum    1 weight  0.10000E+01 volume  0.17313E-02 ppm1      8.864 ppm2      2.318 CV     1
 ASSI {  172}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 3    and name HG2%)
      5.200     3.300     0.800 peak   172 spectrum    1 weight  0.10000E+01 volume  0.47788E-03 ppm1      8.862 ppm2      1.367 CV     1
 ASSI {  174}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 8    and name HG2%)
      4.900     3.000     1.100 peak   174 spectrum    1 weight  0.10000E+01 volume  0.34049E-03 ppm1      8.860 ppm2      1.050 CV     1
 ASSI {  175}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
      5.200     3.400     0.800 peak   175 spectrum    1 weight  0.10000E+01 volume  0.32771E-03 ppm1      8.857 ppm2      0.819 CV     1
 OR {  175}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI {  179}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 8    and name HG2%)
      5.300     3.600     0.700 peak   179 spectrum    1 weight  0.10000E+01 volume  0.14338E-03 ppm1      7.689 ppm2      1.046 CV     1
 ASSI {  182}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HG1 ))
      3.500     1.500     1.500 peak   182 spectrum    1 weight  0.10000E+01 volume  0.33461E-02 ppm1      7.694 ppm2      2.420 CV     1
 OR {  182}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HG2 ))
 ASSI {  183}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
      5.500     3.800     0.500 peak   183 spectrum    1 weight  0.10000E+01 volume  0.19425E-03 ppm1      7.689 ppm2      2.216 CV     1
 OR {  183}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 4    and name HG1 ))
 ASSI {  190}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 7    and name HG12))
      6.000     5.900     0.000 peak   190 spectrum    1 weight  0.10000E+01 volume  0.15582E-03 ppm1      7.690 ppm2      0.230 CV     1
 ASSI {  191}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      6.000     4.800     0.000 peak   191 spectrum    1 weight  0.10000E+01 volume  0.22370E-03 ppm1      7.695 ppm2      4.818 CV     1
 ASSI {  192}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 3    and name HB  ))
      4.300     2.300     1.700 peak   192 spectrum    1 weight  0.10000E+01 volume  0.44477E-03 ppm1      7.695 ppm2      4.720 CV     1
 ASSI {  208}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 3    and name HN  ))
      3.800     1.800     1.800 peak   208 spectrum    1 weight  0.10000E+01 volume  0.79781E-03 ppm1      7.695 ppm2      8.555 CV     1
 ASSI {  223}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 54   and name HZ  ))
      5.600     3.900     0.400 peak   223 spectrum    1 weight  0.10000E+01 volume  0.19034E-03 ppm1      8.396 ppm2      7.457 CV     1
 ASSI {  224}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 54   and name HE% )
      4.800     2.900     1.200 peak   224 spectrum    1 weight  0.10000E+01 volume  0.24989E-03 ppm1      8.402 ppm2      7.128 CV     1
 ASSI {  239}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      4.900     3.000     1.100 peak   239 spectrum    1 weight  0.10000E+01 volume  0.27594E-03 ppm1      8.403 ppm2      3.387 CV     1
 ASSI {  242}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HB1 ))
      2.300     2.300     3.700 peak   242 spectrum    1 weight  0.10000E+01 volume  0.16045E-02 ppm1      8.399 ppm2      2.491 CV     1
 ASSI {  243}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HG1 ))
      4.400     2.400     1.600 peak   243 spectrum    1 weight  0.10000E+01 volume  0.54571E-03 ppm1      8.400 ppm2      2.388 CV     1
 OR {  243}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HG2 ))
 ASSI {  245}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HB2 ))
      3.400     1.500     1.500 peak   245 spectrum    1 weight  0.10000E+01 volume  0.12829E-02 ppm1      8.399 ppm2      2.112 CV     1
 ASSI {  249}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
      5.500     3.800     0.500 peak   249 spectrum    1 weight  0.10000E+01 volume  0.24468E-03 ppm1      8.403 ppm2      1.692 CV     1
 ASSI {  250}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
      6.000     4.500     0.000 peak   250 spectrum    1 weight  0.10000E+01 volume  0.15639E-03 ppm1      8.404 ppm2      1.626 CV     1
 OR {  250}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 77   and name HG  ))
 ASSI {  252}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 3    and name HG2%)
      6.000     4.800     0.000 peak   252 spectrum    1 weight  0.10000E+01 volume  0.14733E-03 ppm1      8.395 ppm2      1.374 CV     1
 ASSI {  255}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 73   and name HG2%)
      4.300     2.300     1.700 peak   255 spectrum    1 weight  0.10000E+01 volume  0.55987E-03 ppm1      8.401 ppm2      1.105 CV     1
 ASSI {  256}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 8    and name HG2%)
      4.400     2.400     1.600 peak   256 spectrum    1 weight  0.10000E+01 volume  0.48601E-03 ppm1      8.401 ppm2      1.039 CV     1
 ASSI {  264}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HG12))
      5.500     3.800     0.500 peak   264 spectrum    1 weight  0.10000E+01 volume  0.24196E-03 ppm1      8.392 ppm2      0.231 CV     1
 ASSI {  266}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 8    and name HG2%)
      2.300     0.600     0.600 peak   266 spectrum    1 weight  0.10000E+01 volume  0.68759E-02 ppm1      8.391 ppm2      1.044 CV     1
 ASSI {  270}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 9    and name HB% )
      4.200     2.300     1.800 peak   270 spectrum    1 weight  0.10000E+01 volume  0.12937E-02 ppm1      8.390 ppm2      1.529 CV     1
 ASSI {  275}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      2.700     0.900     0.900 peak   275 spectrum    1 weight  0.10000E+01 volume  0.30265E-02 ppm1      8.391 ppm2      3.385 CV     1
 ASSI {  281}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 3    and name HN  ))
      3.700     1.700     1.700 peak   281 spectrum    1 weight  0.10000E+01 volume  0.21578E-02 ppm1      8.389 ppm2      8.569 CV     1
 ASSI {  285}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      4.600     2.600     1.400 peak   285 spectrum    1 weight  0.10000E+01 volume  0.51954E-03 ppm1      7.730 ppm2      9.240 CV     1
 ASSI {  286}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      5.300     3.500     0.700 peak   286 spectrum    1 weight  0.10000E+01 volume  0.14183E-03 ppm1      7.743 ppm2      8.957 CV     1
 ASSI {  295}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      3.300     3.300     2.700 peak   295 spectrum    1 weight  0.10000E+01 volume  0.30509E-02 ppm1      7.728 ppm2      7.911 CV     1
 ASSI {  297}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 54   and name HE% )
      5.000     3.100     1.000 peak   297 spectrum    1 weight  0.10000E+01 volume  0.34268E-03 ppm1      7.728 ppm2      7.121 CV     1
 ASSI {  302}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      3.100     3.100     2.900 peak   302 spectrum    1 weight  0.10000E+01 volume  0.20212E-02 ppm1      7.729 ppm2      7.653 CV     1
 ASSI {  303}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 4    and name HE22))
      3.800     3.800     2.200 peak   303 spectrum    1 weight  0.10000E+01 volume  0.27229E-02 ppm1      7.729 ppm2      7.547 CV     1
 ASSI {  309}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      3.100     1.200     1.200 peak   309 spectrum    1 weight  0.10000E+01 volume  0.14267E-02 ppm1      7.731 ppm2      4.132 CV     1
 ASSI {  310}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 10   and name HA1 ))
      5.300     3.500     0.700 peak   310 spectrum    1 weight  0.10000E+01 volume  0.30780E-03 ppm1      7.728 ppm2      4.047 CV     1
 ASSI {  314}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 8    and name HG2%)
      4.200     2.200     1.800 peak   314 spectrum    1 weight  0.10000E+01 volume  0.10872E-02 ppm1      7.728 ppm2      1.044 CV     1
 ASSI {  326}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 12   and name HB% )
      4.400     2.500     1.600 peak   326 spectrum    1 weight  0.10000E+01 volume  0.43865E-03 ppm1      7.729 ppm2      1.684 CV     1
 ASSI {  331}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 6    and name HB1 ))
      4.400     2.400     1.600 peak   331 spectrum    1 weight  0.10000E+01 volume  0.23360E-03 ppm1      7.731 ppm2      2.497 CV     1
 ASSI {  332}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 6    and name HG1 ))
      4.800     2.900     1.200 peak   332 spectrum    1 weight  0.10000E+01 volume  0.18423E-03 ppm1      7.730 ppm2      2.428 CV     1
 ASSI {  338}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 13   and name HG1 ))
      6.000     5.300     0.000 peak   338 spectrum    1 weight  0.10000E+01 volume  0.10753E-03 ppm1      8.393 ppm2      2.623 CV     1
 ASSI {  342}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      5.200     3.400     0.800 peak   342 spectrum    1 weight  0.10000E+01 volume  0.51493E-03 ppm1      8.391 ppm2      2.113 CV     1
 ASSI {  347}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 12   and name HB% )
      4.700     2.800     1.300 peak   347 spectrum    1 weight  0.10000E+01 volume  0.31577E-03 ppm1      8.391 ppm2      1.690 CV     1
 ASSI {  352}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      5.300     3.600     0.700 peak   352 spectrum    1 weight  0.10000E+01 volume  0.22685E-03 ppm1      8.390 ppm2      1.266 CV     1
 ASSI {  365}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      4.100     2.100     1.900 peak   365 spectrum    1 weight  0.10000E+01 volume  0.35210E-03 ppm1      8.386 ppm2      3.381 CV     1
 ASSI {  368}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      3.900     1.900     1.900 peak   368 spectrum    1 weight  0.10000E+01 volume  0.66681E-03 ppm1      8.390 ppm2      7.911 CV     1
 ASSI {  370}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      2.400     0.700     0.700 peak   370 spectrum    1 weight  0.10000E+01 volume  0.36275E-02 ppm1      8.390 ppm2      7.728 CV     1
 ASSI {  373}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 54   and name HZ  ))
      3.700     1.700     1.700 peak   373 spectrum    1 weight  0.10000E+01 volume  0.74364E-03 ppm1      8.389 ppm2      7.469 CV     1
 ASSI {  375}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 54   and name HE% )
      4.600     2.700     1.400 peak   375 spectrum    1 weight  0.10000E+01 volume  0.45682E-03 ppm1      8.390 ppm2      7.131 CV     1
 ASSI {  378}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      2.300     0.700     0.700 peak   378 spectrum    1 weight  0.10000E+01 volume  0.38071E-02 ppm1      8.390 ppm2      9.234 CV     1
 ASSI {  381}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      4.200     2.300     1.800 peak   381 spectrum    1 weight  0.10000E+01 volume  0.52781E-03 ppm1      8.392 ppm2      8.910 CV     1
 ASSI {  387}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      2.400     0.700     0.700 peak   387 spectrum    1 weight  0.10000E+01 volume  0.40007E-02 ppm1      9.234 ppm2      8.916 CV     1
 ASSI {  396}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      4.000     2.000     2.000 peak   396 spectrum    1 weight  0.10000E+01 volume  0.46495E-03 ppm1      9.235 ppm2      7.924 CV     1
 ASSI {  400}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 54   and name HZ  ))
      3.400     1.400     1.400 peak   400 spectrum    1 weight  0.10000E+01 volume  0.86824E-03 ppm1      9.234 ppm2      7.470 CV     1
 OR {  400}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 54   and name HD% )
 ASSI {  420}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      3.100     1.200     1.200 peak   420 spectrum    1 weight  0.10000E+01 volume  0.46098E-02 ppm1      9.235 ppm2      2.118 CV     1
 ASSI {  421}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HG  ))
      2.400     0.700     0.700 peak   421 spectrum    1 weight  0.10000E+01 volume  0.36990E-02 ppm1      9.235 ppm2      1.986 CV     1
 ASSI {  427}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      2.400     0.700     0.700 peak   427 spectrum    1 weight  0.10000E+01 volume  0.22843E-02 ppm1      9.235 ppm2      1.268 CV     1
 ASSI {  435}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
      3.900     1.900     1.900 peak   435 spectrum    1 weight  0.10000E+01 volume  0.67197E-03 ppm1      9.236 ppm2      0.557 CV     1
 ASSI {  440}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      3.200     1.300     1.300 peak   440 spectrum    1 weight  0.10000E+01 volume  0.24237E-02 ppm1      8.923 ppm2      2.119 CV     1
 ASSI {  452}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 69   and name HG2%)
      5.400     3.600     0.600 peak   452 spectrum    1 weight  0.10000E+01 volume  0.36978E-03 ppm1      8.920 ppm2      0.636 CV     1
 ASSI {  453}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
      5.500     3.800     0.500 peak   453 spectrum    1 weight  0.10000E+01 volume  0.19082E-03 ppm1      8.920 ppm2      0.556 CV     1
 ASSI {  472}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      3.700     1.700     1.700 peak   472 spectrum    1 weight  0.10000E+01 volume  0.58427E-03 ppm1      8.920 ppm2      8.191 CV     1
 ASSI {  474}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 13   and name HG1 ))
      5.400     3.700     0.600 peak   474 spectrum    1 weight  0.10000E+01 volume  0.16810E-03 ppm1      8.921 ppm2      2.626 CV     1
 ASSI {  487}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HG1 ))
      3.000     1.100     1.100 peak   487 spectrum    1 weight  0.10000E+01 volume  0.31424E-02 ppm1      7.927 ppm2      2.616 CV     1
 ASSI {  499}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      2.400     0.700     0.700 peak   499 spectrum    1 weight  0.10000E+01 volume  0.40008E-02 ppm1      7.927 ppm2      8.182 CV     1
 ASSI {  507}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      2.500     0.800     0.800 peak   507 spectrum    1 weight  0.10000E+01 volume  0.35304E-02 ppm1      7.927 ppm2      8.921 CV     1
 ASSI {  511}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 70   and name HN  ))
      4.100     2.100     1.900 peak   511 spectrum    1 weight  0.10000E+01 volume  0.43523E-03 ppm1      8.183 ppm2      9.404 CV     1
 ASSI {  515}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      2.500     0.800     0.800 peak   515 spectrum    1 weight  0.10000E+01 volume  0.28391E-02 ppm1      8.183 ppm2      8.638 CV     1
 ASSI {  516}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      3.800     3.800     2.200 peak   516 spectrum    1 weight  0.10000E+01 volume  0.12398E-02 ppm1      8.181 ppm2      8.535 CV     1
 ASSI {  517}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HN  ))
      2.500     0.800     0.800 peak   517 spectrum    1 weight  0.10000E+01 volume  0.36073E-02 ppm1      8.183 ppm2      8.341 CV     1
 ASSI {  520}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 54   and name HD% )
      4.400     2.400     1.600 peak   520 spectrum    1 weight  0.10000E+01 volume  0.73185E-03 ppm1      8.184 ppm2      7.453 CV     1
 ASSI {  522}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 32   and name HD% )
      3.700     1.700     1.700 peak   522 spectrum    1 weight  0.10000E+01 volume  0.18195E-03 ppm1      8.183 ppm2      7.188 CV     1
 ASSI {  523}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 32   and name HE% )
      3.800     1.800     1.800 peak   523 spectrum    1 weight  0.10000E+01 volume  0.76698E-03 ppm1      8.183 ppm2      6.989 CV     1
 ASSI {  529}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 70   and name HA1 ))
      4.700     2.800     1.300 peak   529 spectrum    1 weight  0.10000E+01 volume  0.32449E-03 ppm1      8.183 ppm2      4.013 CV     1
 ASSI {  532}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 70   and name HA2 ))
      4.200     2.200     1.800 peak   532 spectrum    1 weight  0.10000E+01 volume  0.46961E-03 ppm1      8.183 ppm2      3.787 CV     1
 ASSI {  533}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      4.100     2.100     1.900 peak   533 spectrum    1 weight  0.10000E+01 volume  0.90045E-03 ppm1      8.182 ppm2      3.650 CV     1
 ASSI {  536}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      3.200     1.300     1.300 peak   536 spectrum    1 weight  0.10000E+01 volume  0.16619E-02 ppm1      8.183 ppm2      4.500 CV     1
 ASSI {  537}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      5.700     4.000     0.300 peak   537 spectrum    1 weight  0.10000E+01 volume  0.26200E-03 ppm1      8.190 ppm2      4.844 CV     1
 ASSI {  538}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      2.600     0.800     0.800 peak   538 spectrum    1 weight  0.10000E+01 volume  0.54914E-02 ppm1      8.188 ppm2      4.680 CV     1
 ASSI {  539}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      2.800     1.000     1.000 peak   539 spectrum    1 weight  0.10000E+01 volume  0.11662E-02 ppm1      8.183 ppm2      3.385 CV     1
 ASSI {  541}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
      2.300     0.600     0.600 peak   541 spectrum    1 weight  0.10000E+01 volume  0.31319E-02 ppm1      8.183 ppm2      3.117 CV     1
 ASSI {  542}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 74   and name HE2 ))
      5.200     3.300     0.800 peak   542 spectrum    1 weight  0.10000E+01 volume  0.18207E-03 ppm1      8.179 ppm2      3.022 CV     1
 OR {  542}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 74   and name HE1 ))
 ASSI {  543}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HB2 ))
      3.400     1.400     1.400 peak   543 spectrum    1 weight  0.10000E+01 volume  0.19781E-02 ppm1      8.183 ppm2      2.921 CV     1
 ASSI {  547}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 69   and name HB  ))
      4.300     2.400     1.700 peak   547 spectrum    1 weight  0.10000E+01 volume  0.44437E-03 ppm1      8.180 ppm2      2.286 CV     1
 ASSI {  549}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 66   and name HB1 ))
      3.300     1.300     1.300 peak   549 spectrum    1 weight  0.10000E+01 volume  0.42373E-03 ppm1      8.183 ppm2      2.148 CV     1
 ASSI {  552}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 66   and name HG  ))
      6.000     4.900     0.000 peak   552 spectrum    1 weight  0.10000E+01 volume  0.17128E-03 ppm1      8.183 ppm2      1.834 CV     1
 ASSI {  559}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 73   and name HG2%)
      5.000     3.100     1.000 peak   559 spectrum    1 weight  0.10000E+01 volume  0.45166E-03 ppm1      8.184 ppm2      1.087 CV     1
 ASSI {  561}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HG1 ))
      4.000     2.000     2.000 peak   561 spectrum    1 weight  0.10000E+01 volume  0.12016E-02 ppm1      8.188 ppm2      1.364 CV     1
 ASSI {  564}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 56   and name HG1%)
      2.800     1.000     1.000 peak   564 spectrum    1 weight  0.10000E+01 volume  0.26431E-02 ppm1      8.188 ppm2      0.938 CV     1
 ASSI {  577}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 17   and name HG1 ))
      6.000     4.400     0.000 peak   577 spectrum    1 weight  0.10000E+01 volume  0.86893E-04 ppm1      8.808 ppm2      2.417 CV     1
 ASSI {  581}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HG11))
      4.300     2.400     1.700 peak   581 spectrum    1 weight  0.10000E+01 volume  0.62373E-03 ppm1      8.810 ppm2      2.000 CV     1
 ASSI {  590}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      4.800     2.800     1.200 peak   590 spectrum    1 weight  0.10000E+01 volume  0.37013E-03 ppm1      8.811 ppm2      1.267 CV     1
 ASSI {  592}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 14   and name HG2%)
      3.400     1.500     1.500 peak   592 spectrum    1 weight  0.10000E+01 volume  0.21549E-02 ppm1      8.811 ppm2      1.074 CV     1
 OR {  592}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HG12))
 ASSI {  597}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 46   and name HG1%)
      4.400     2.400     1.600 peak   597 spectrum    1 weight  0.10000E+01 volume  0.43893E-03 ppm1      8.810 ppm2      0.665 CV     1
 ASSI {  604}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      2.400     0.700     0.700 peak   604 spectrum    1 weight  0.10000E+01 volume  0.28936E-02 ppm1      8.811 ppm2      8.177 CV     1
 ASSI {  606}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      4.300     2.300     1.700 peak   606 spectrum    1 weight  0.10000E+01 volume  0.42939E-03 ppm1      8.815 ppm2      7.927 CV     1
 ASSI {  611}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      3.400     1.500     1.500 peak   611 spectrum    1 weight  0.10000E+01 volume  0.14977E-02 ppm1      8.810 ppm2      8.903 CV     1
 ASSI {  616}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      2.500     0.800     0.800 peak   616 spectrum    1 weight  0.10000E+01 volume  0.29180E-02 ppm1      8.694 ppm2      8.360 CV     1
 ASSI {  619}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HD22))
      4.000     2.000     2.000 peak   619 spectrum    1 weight  0.10000E+01 volume  0.62784E-03 ppm1      8.692 ppm2      8.077 CV     1
 ASSI {  620}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      4.200     2.200     1.800 peak   620 spectrum    1 weight  0.10000E+01 volume  0.47103E-03 ppm1      8.694 ppm2      7.943 CV     1
 ASSI {  629}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      2.200     0.600     0.600 peak   629 spectrum    1 weight  0.10000E+01 volume  0.52205E-02 ppm1      8.694 ppm2      8.805 CV     1
 ASSI {  635}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      4.100     2.100     1.900 peak   635 spectrum    1 weight  0.10000E+01 volume  0.34528E-03 ppm1      8.693 ppm2      3.826 CV     1
 ASSI {  646}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      2.400     0.700     0.700 peak   646 spectrum    1 weight  0.10000E+01 volume  0.55384E-02 ppm1      8.694 ppm2      2.750 CV     1
 ASSI {  650}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HG1 ))
      5.200     3.400     0.800 peak   650 spectrum    1 weight  0.10000E+01 volume  0.27812E-03 ppm1      8.692 ppm2      2.425 CV     1
 ASSI {  669}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      2.400     0.700     0.700 peak   669 spectrum    1 weight  0.10000E+01 volume  0.42147E-02 ppm1      8.362 ppm2      2.139 CV     1
 ASSI {  681}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      2.200     0.600     0.600 peak   681 spectrum    1 weight  0.10000E+01 volume  0.33132E-02 ppm1      8.368 ppm2      1.949 CV     1
 ASSI {  684}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
      5.300     3.500     0.700 peak   684 spectrum    1 weight  0.10000E+01 volume  0.24366E-03 ppm1      8.364 ppm2      2.649 CV     1
 OR {  684}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 60   and name HB1 ))
 ASSI {  686}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
      3.800     1.800     1.800 peak   686 spectrum    1 weight  0.10000E+01 volume  0.14390E-02 ppm1      8.363 ppm2      3.107 CV     1
 ASSI {  700}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HD21))
      5.200     3.400     0.800 peak   700 spectrum    1 weight  0.10000E+01 volume  0.24199E-03 ppm1      8.361 ppm2      6.845 CV     1
 ASSI {  701}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      5.000     3.100     1.000 peak   701 spectrum    1 weight  0.10000E+01 volume  0.21067E-03 ppm1      8.366 ppm2      6.461 CV     1
 ASSI {  703}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      2.600     0.800     0.800 peak   703 spectrum    1 weight  0.10000E+01 volume  0.22474E-02 ppm1      8.369 ppm2      7.266 CV     1
 ASSI {  704}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      2.200     0.600     0.600 peak   704 spectrum    1 weight  0.10000E+01 volume  0.59125E-02 ppm1      8.362 ppm2      8.204 CV     1
 ASSI {  708}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      3.400     1.400     1.400 peak   708 spectrum    1 weight  0.10000E+01 volume  0.10733E-02 ppm1      8.363 ppm2      8.802 CV     1
 ASSI {  715}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      4.500     2.500     1.500 peak   715 spectrum    1 weight  0.10000E+01 volume  0.34062E-03 ppm1      8.202 ppm2      3.837 CV     1
 ASSI {  718}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      3.100     1.200     1.200 peak   718 spectrum    1 weight  0.10000E+01 volume  0.12272E-02 ppm1      8.202 ppm2      3.596 CV     1
 ASSI {  720}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
      6.000     5.200     0.000 peak   720 spectrum    1 weight  0.10000E+01 volume  0.10110E-03 ppm1      8.198 ppm2      3.104 CV     1
 ASSI {  721}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      5.600     3.900     0.400 peak   721 spectrum    1 weight  0.10000E+01 volume  0.15272E-03 ppm1      8.198 ppm2      2.739 CV     1
 ASSI {  722}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HG1 ))
      5.500     3.800     0.500 peak   722 spectrum    1 weight  0.10000E+01 volume  0.32735E-03 ppm1      8.204 ppm2      2.429 CV     1
 ASSI {  730}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HG11))
      1.900     0.500     0.500 peak   730 spectrum    1 weight  0.10000E+01 volume  0.98043E-02 ppm1      8.203 ppm2      1.635 CV     1
 OR {  730}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HB  ))
 ASSI {  735}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 15   and name HG2%)
      5.300     3.500     0.700 peak   735 spectrum    1 weight  0.10000E+01 volume  0.23127E-03 ppm1      8.203 ppm2      1.168 CV     1
 ASSI {  736}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 14   and name HG2%)
      4.100     2.100     1.900 peak   736 spectrum    1 weight  0.10000E+01 volume  0.57842E-03 ppm1      8.206 ppm2      1.060 CV     1
 OR {  736}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 14   and name HG12))
 ASSI {  742}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      3.800     1.800     1.800 peak   742 spectrum    1 weight  0.10000E+01 volume  0.42779E-03 ppm1      8.202 ppm2      7.831 CV     1
 ASSI {  747}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      5.800     4.200     0.200 peak   747 spectrum    1 weight  0.10000E+01 volume  0.11921E-03 ppm1      8.198 ppm2      6.471 CV     1
 ASSI {  748}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      5.600     4.000     0.400 peak   748 spectrum    1 weight  0.10000E+01 volume  0.17091E-03 ppm1      8.205 ppm2      4.815 CV     1
 ASSI {  749}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      5.400     3.700     0.600 peak   749 spectrum    1 weight  0.10000E+01 volume  0.85915E-04 ppm1      8.199 ppm2      4.646 CV     1
 ASSI {  754}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      4.000     2.000     2.000 peak   754 spectrum    1 weight  0.10000E+01 volume  0.75953E-03 ppm1      8.203 ppm2      8.708 CV     1
 ASSI {  755}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      2.400     0.700     0.700 peak   755 spectrum    1 weight  0.10000E+01 volume  0.40348E-02 ppm1      8.203 ppm2      8.511 CV     1
 ASSI {  757}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      4.300     2.300     1.700 peak   757 spectrum    1 weight  0.10000E+01 volume  0.61030E-03 ppm1      8.514 ppm2      6.456 CV     1
 ASSI {  759}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      2.800     1.000     1.000 peak   759 spectrum    1 weight  0.10000E+01 volume  0.22004E-02 ppm1      8.514 ppm2      4.817 CV     1
 ASSI {  762}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      6.000     6.000     0.000 peak   762 spectrum    1 weight  0.10000E+01 volume  0.60980E-04 ppm1      8.510 ppm2      4.328 CV     1
 ASSI {  768}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
      5.200     3.400     0.800 peak   768 spectrum    1 weight  0.10000E+01 volume  0.12593E-03 ppm1      8.521 ppm2      3.688 CV     1
 ASSI {  774}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HB  ))
      2.100     0.600     0.600 peak   774 spectrum    1 weight  0.10000E+01 volume  0.40938E-02 ppm1      8.515 ppm2      1.635 CV     1
 OR {  774}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HG11))
 ASSI {  785}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 46   and name HG1%)
      6.000     5.000     0.000 peak   785 spectrum    1 weight  0.10000E+01 volume  0.11341E-03 ppm1      8.504 ppm2      0.681 CV     1
 ASSI {  790}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      2.200     0.600     0.600 peak   790 spectrum    1 weight  0.10000E+01 volume  0.51246E-02 ppm1      8.515 ppm2      7.827 CV     1
 ASSI {  797}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      3.400     3.400     2.600 peak   797 spectrum    1 weight  0.10000E+01 volume  0.16251E-02 ppm1      8.513 ppm2      8.693 CV     1
 ASSI {  803}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      5.400     3.600     0.600 peak   803 spectrum    1 weight  0.10000E+01 volume  0.25250E-03 ppm1      6.455 ppm2      4.834 CV     1
 ASSI {  814}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      5.600     3.900     0.400 peak   814 spectrum    1 weight  0.10000E+01 volume  0.16893E-03 ppm1      6.464 ppm2      3.599 CV     1
 ASSI {  819}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 15   and name HB  ))
      4.900     3.000     1.100 peak   819 spectrum    1 weight  0.10000E+01 volume  0.21937E-03 ppm1      6.451 ppm2      2.247 CV     1
 ASSI {  824}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 38   and name HB  ))
      6.000     6.000     0.000 peak   824 spectrum    1 weight  0.10000E+01 volume  0.42963E-04 ppm1      6.448 ppm2      1.861 CV     1
 ASSI {  830}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HG11))
      2.000     0.500     0.500 peak   830 spectrum    1 weight  0.10000E+01 volume  0.50136E-02 ppm1      6.457 ppm2      1.312 CV     1
 OR {  830}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HG12))
 ASSI {  831}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 15   and name HG2%)
      5.600     4.000     0.400 peak   831 spectrum    1 weight  0.10000E+01 volume  0.32137E-03 ppm1      6.457 ppm2      1.174 CV     1
 ASSI {  837}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      4.500     2.500     1.500 peak   837 spectrum    1 weight  0.10000E+01 volume  0.33325E-03 ppm1      6.457 ppm2      8.694 CV     1
 ASSI {  848}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 32   and name HD% )
      5.600     3.900     0.400 peak   848 spectrum    1 weight  0.10000E+01 volume  0.29869E-03 ppm1      6.462 ppm2      7.172 CV     1
 ASSI {  849}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 32   and name HE% )
      6.000     5.500     0.000 peak   849 spectrum    1 weight  0.10000E+01 volume  0.13706E-03 ppm1      6.452 ppm2      6.970 CV     1
 ASSI {  851}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 16   and name HD21))
      3.700     1.700     1.700 peak   851 spectrum    1 weight  0.10000E+01 volume  0.10266E-02 ppm1      8.515 ppm2      6.859 CV     1
 ASSI {  853}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 16   and name HD22))
      3.500     1.500     1.500 peak   853 spectrum    1 weight  0.10000E+01 volume  0.81768E-03 ppm1      8.515 ppm2      8.069 CV     1
 ASSI {  855}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      4.500     2.500     1.500 peak   855 spectrum    1 weight  0.10000E+01 volume  0.78671E-03 ppm1      8.513 ppm2      7.771 CV     1
 ASSI {  863}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      2.700     0.900     0.900 peak   863 spectrum    1 weight  0.10000E+01 volume  0.32776E-02 ppm1      8.514 ppm2      3.615 CV     1
 ASSI {  865}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      4.800     2.900     1.200 peak   865 spectrum    1 weight  0.10000E+01 volume  0.35919E-03 ppm1      8.516 ppm2      2.755 CV     1
 ASSI {  868}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      3.400     1.500     1.500 peak   868 spectrum    1 weight  0.10000E+01 volume  0.57805E-03 ppm1      8.508 ppm2      4.116 CV     1
 ASSI {  869}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HB1 ))
      2.600     0.800     0.800 peak   869 spectrum    1 weight  0.10000E+01 volume  0.28126E-02 ppm1      8.509 ppm2      3.134 CV     1
 OR {  869}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
 ASSI {  893}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      2.600     0.800     0.800 peak   893 spectrum    1 weight  0.10000E+01 volume  0.26818E-02 ppm1      8.515 ppm2      9.246 CV     1
 ASSI {  909}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      2.300     0.600     0.600 peak   909 spectrum    1 weight  0.10000E+01 volume  0.22839E-02 ppm1      9.246 ppm2      7.746 CV     1
 ASSI {  912}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      4.500     2.500     1.500 peak   912 spectrum    1 weight  0.10000E+01 volume  0.44327E-03 ppm1      9.248 ppm2      7.490 CV     1
 ASSI {  916}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      6.000     5.700     0.000 peak   916 spectrum    1 weight  0.10000E+01 volume  0.10109E-03 ppm1      9.250 ppm2      4.623 CV     1
 ASSI {  924}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 22   and name HD2 ))
      5.400     3.600     0.600 peak   924 spectrum    1 weight  0.10000E+01 volume  0.14164E-03 ppm1      9.243 ppm2      3.713 CV     1
 ASSI {  927}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      5.700     4.000     0.300 peak   927 spectrum    1 weight  0.10000E+01 volume  0.26191E-03 ppm1      9.243 ppm2      2.698 CV     1
 ASSI {  928}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      5.700     4.100     0.300 peak   928 spectrum    1 weight  0.10000E+01 volume  0.16504E-03 ppm1      9.244 ppm2      2.611 CV     1
 ASSI {  932}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HB1 ))
      2.400     0.700     0.700 peak   932 spectrum    1 weight  0.10000E+01 volume  0.67370E-02 ppm1      9.246 ppm2      2.003 CV     1
 OR {  932}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
 ASSI {  935}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 12   and name HB% )
      5.200     3.300     0.800 peak   935 spectrum    1 weight  0.10000E+01 volume  0.20296E-03 ppm1      9.241 ppm2      1.672 CV     1
 ASSI {  938}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 23   and name HG2%)
      2.900     1.000     1.000 peak   938 spectrum    1 weight  0.10000E+01 volume  0.34213E-02 ppm1      9.245 ppm2      0.995 CV     1
 ASSI {  941}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 21   and name HG2%)
      3.400     1.500     1.500 peak   941 spectrum    1 weight  0.10000E+01 volume  0.13824E-02 ppm1      7.747 ppm2      1.008 CV     1
 ASSI {  942}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 26   and name HG2%)
      4.000     2.000     2.000 peak   942 spectrum    1 weight  0.10000E+01 volume  0.11335E-02 ppm1      7.745 ppm2      0.920 CV     1
 ASSI {  943}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 21   and name HD1%)
      6.000     5.600     0.000 peak   943 spectrum    1 weight  0.10000E+01 volume  0.13265E-03 ppm1      7.746 ppm2      0.831 CV     1
 ASSI {  946}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      2.500     0.800     0.800 peak   946 spectrum    1 weight  0.10000E+01 volume  0.40464E-02 ppm1      7.746 ppm2      2.686 CV     1
 ASSI {  953}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 22   and name HG1 ))
      5.200     3.400     0.800 peak   953 spectrum    1 weight  0.10000E+01 volume  0.68572E-03 ppm1      7.744 ppm2      2.119 CV     1
 ASSI {  954}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HB1 ))
      3.400     1.400     1.400 peak   954 spectrum    1 weight  0.10000E+01 volume  0.15231E-02 ppm1      7.746 ppm2      2.001 CV     1
 OR {  954}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
 ASSI {  956}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      3.100     1.200     1.200 peak   956 spectrum    1 weight  0.10000E+01 volume  0.15617E-02 ppm1      7.747 ppm2      1.760 CV     1
 ASSI {  959}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 22   and name HD2 ))
      4.200     2.200     1.800 peak   959 spectrum    1 weight  0.10000E+01 volume  0.27195E-03 ppm1      7.747 ppm2      3.702 CV     1
 ASSI {  961}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      5.000     3.200     1.000 peak   961 spectrum    1 weight  0.10000E+01 volume  0.28453E-03 ppm1      7.747 ppm2      3.523 CV     1
 ASSI {  971}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      2.200     0.600     0.600 peak   971 spectrum    1 weight  0.10000E+01 volume  0.50620E-02 ppm1      7.746 ppm2      7.489 CV     1
 ASSI {  977}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      3.400     1.400     1.400 peak   977 spectrum    1 weight  0.10000E+01 volume  0.13399E-02 ppm1      7.489 ppm2      4.607 CV     1
 ASSI {  979}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      6.000     4.500     0.000 peak   979 spectrum    1 weight  0.10000E+01 volume  0.97678E-04 ppm1      7.485 ppm2      4.307 CV     1
 ASSI {  985}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 22   and name HD2 ))
      5.700     4.000     0.300 peak   985 spectrum    1 weight  0.10000E+01 volume  0.82366E-04 ppm1      7.485 ppm2      3.709 CV     1
 ASSI {  986}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      3.500     1.500     1.500 peak   986 spectrum    1 weight  0.10000E+01 volume  0.93183E-03 ppm1      7.488 ppm2      3.619 CV     1
 ASSI {  987}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      2.600     0.800     0.800 peak   987 spectrum    1 weight  0.10000E+01 volume  0.23802E-02 ppm1      7.487 ppm2      3.539 CV     1
 ASSI {  991}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      2.800     0.900     0.900 peak   991 spectrum    1 weight  0.10000E+01 volume  0.10580E-02 ppm1      7.489 ppm2      2.685 CV     1
 ASSI { 1000}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 12   and name HB% )
      4.100     2.100     1.900 peak  1000 spectrum    1 weight  0.10000E+01 volume  0.12542E-02 ppm1      7.488 ppm2      1.686 CV     1
 ASSI { 1003}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      6.000     5.000     0.000 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.94302E-04 ppm1      7.491 ppm2      1.420 CV     1
 ASSI { 1006}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 15   and name HG2%)
      6.000     5.000     0.000 peak  1006 spectrum    1 weight  0.10000E+01 volume  0.23104E-03 ppm1      7.489 ppm2      1.174 CV     1
 ASSI { 1009}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 26   and name HG2%)
      2.000     0.500     0.500 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.74843E-02 ppm1      7.488 ppm2      0.927 CV     1
 ASSI { 1010}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 21   and name HD1%)
      5.900     4.400     0.100 peak  1010 spectrum    1 weight  0.10000E+01 volume  0.30886E-03 ppm1      7.491 ppm2      0.833 CV     1
 ASSI { 1013}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 69   and name HG1%)
      6.000     5.400     0.000 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.97038E-04 ppm1      7.491 ppm2      0.433 CV     1
 ASSI { 1016}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 32   and name HE% )
      5.600     4.000     0.400 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.30192E-03 ppm1      7.493 ppm2      6.977 CV     1
 ASSI { 1019}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      4.600     2.600     1.400 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.50702E-04 ppm1      7.487 ppm2      8.528 CV     1
 ASSI { 1030}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      3.700     1.700     1.700 peak  1030 spectrum    1 weight  0.10000E+01 volume  0.94626E-03 ppm1      6.352 ppm2      7.494 CV     1
 ASSI { 1043}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HB  ))
      4.400     2.400     1.600 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.38351E-03 ppm1      6.353 ppm2      2.328 CV     1
 ASSI { 1046}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      3.300     1.400     1.400 peak  1046 spectrum    1 weight  0.10000E+01 volume  0.21655E-02 ppm1      6.351 ppm2      2.058 CV     1
 ASSI { 1049}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 30   and name HG1 ))
      3.100     1.200     1.200 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.23885E-02 ppm1      6.351 ppm2      1.801 CV     1
 ASSI { 1051}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      2.400     0.700     0.700 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.20928E-02 ppm1      6.348 ppm2      1.543 CV     1
 ASSI { 1053}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HG2 ))
      2.700     0.900     0.900 peak  1053 spectrum    1 weight  0.10000E+01 volume  0.39626E-02 ppm1      6.351 ppm2      1.341 CV     1
 OR { 1053}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HG1 ))
 ASSI { 1057}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 26   and name HG2%)
      4.400     2.400     1.600 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.88076E-03 ppm1      6.351 ppm2      0.922 CV     1
 ASSI { 1062}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 69   and name HB  ))
      4.200     2.200     1.800 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.28243E-03 ppm1      8.459 ppm2      2.277 CV     1
 ASSI { 1064}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
      2.400     0.700     0.700 peak  1064 spectrum    1 weight  0.10000E+01 volume  0.27264E-02 ppm1      8.463 ppm2      2.060 CV     1
 ASSI { 1069}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      3.200     1.300     1.300 peak  1069 spectrum    1 weight  0.10000E+01 volume  0.12841E-02 ppm1      8.463 ppm2      1.533 CV     1
 ASSI { 1071}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HG1 ))
      4.300     2.300     1.700 peak  1071 spectrum    1 weight  0.10000E+01 volume  0.10438E-02 ppm1      8.462 ppm2      1.339 CV     1
 OR { 1071}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HG2 ))
 ASSI { 1076}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 28   and name HD2%)
      3.600     1.600     1.600 peak  1076 spectrum    1 weight  0.10000E+01 volume  0.15864E-02 ppm1      8.462 ppm2      0.907 CV     1
 ASSI { 1081}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 69   and name HG1%)
      5.000     3.100     1.000 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.13980E-03 ppm1      8.466 ppm2      0.446 CV     1
 ASSI { 1089}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      4.300     2.300     1.700 peak  1089 spectrum    1 weight  0.10000E+01 volume  0.27868E-03 ppm1      8.463 ppm2      6.355 CV     1
 ASSI { 1094}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      4.300     2.300     1.700 peak  1094 spectrum    1 weight  0.10000E+01 volume  0.34004E-03 ppm1      8.463 ppm2      7.502 CV     1
 ASSI { 1100}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 69   and name HG1%)
      6.000     4.700     0.000 peak  1100 spectrum    1 weight  0.10000E+01 volume  0.10713E-03 ppm1      8.386 ppm2      0.431 CV     1
 ASSI { 1101}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 28   and name HD1%)
      4.900     3.000     1.100 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.33165E-03 ppm1      8.386 ppm2      0.804 CV     1
 ASSI { 1102}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 69   and name HG2%)
      6.000     5.000     0.000 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.71148E-04 ppm1      8.387 ppm2      0.634 CV     1
 ASSI { 1105}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 59   and name HB2 ))
      2.700     0.900     0.900 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.17623E-02 ppm1      7.512 ppm2      1.944 CV     1
 OR { 1105}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 59   and name HG2 ))
 ASSI { 1118}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      4.000     2.000     2.000 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.56225E-03 ppm1      7.514 ppm2      0.341 CV     1
 ASSI { 1120}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      5.600     4.000     0.400 peak  1120 spectrum    1 weight  0.10000E+01 volume  0.13310E-03 ppm1      7.498 ppm2      3.379 CV     1
 ASSI { 1132}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      4.100     2.100     1.900 peak  1132 spectrum    1 weight  0.10000E+01 volume  0.51132E-03 ppm1      7.511 ppm2      4.214 CV     1
 ASSI { 1142}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      4.000     2.000     2.000 peak  1142 spectrum    1 weight  0.10000E+01 volume  0.71961E-03 ppm1      7.504 ppm2      6.351 CV     1
 ASSI { 1149}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      3.700     1.700     1.700 peak  1149 spectrum    1 weight  0.10000E+01 volume  0.11258E-02 ppm1      7.505 ppm2      8.218 CV     1
 ASSI { 1151}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 40   and name H36A))
      4.600     2.700     1.400 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.51506E-03 ppm1      7.508 ppm2      8.029 CV     1
 OR { 1151}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 40   and name H41A))
 ASSI { 1154}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 70   and name HN  ))
      4.200     2.200     1.800 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.29780E-03 ppm1      7.508 ppm2      9.412 CV     1
 ASSI { 1156}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      5.000     3.100     1.000 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.23024E-03 ppm1     10.161 ppm2      8.227 CV     1
 ASSI { 1158}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      4.600     2.700     1.400 peak  1158 spectrum    1 weight  0.10000E+01 volume  0.51515E-03 ppm1     10.164 ppm2      7.715 CV     1
 ASSI { 1161}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      6.000     4.600     0.000 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.19538E-03 ppm1     10.166 ppm2      5.021 CV     1
 ASSI { 1166}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 68   and name HB  ))
      5.100     3.200     0.900 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.16043E-03 ppm1     10.167 ppm2      4.317 CV     1
 ASSI { 1177}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 35   and name HB1 ))
      3.500     1.500     1.500 peak  1177 spectrum    1 weight  0.10000E+01 volume  0.24555E-02 ppm1     10.164 ppm2      3.048 CV     1
 ASSI { 1179}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
      5.400     3.700     0.600 peak  1179 spectrum    1 weight  0.10000E+01 volume  0.15194E-03 ppm1     10.163 ppm2      2.808 CV     1
 ASSI { 1182}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      6.000     4.500     0.000 peak  1182 spectrum    1 weight  0.10000E+01 volume  0.31197E-03 ppm1     10.166 ppm2      2.448 CV     1
 ASSI { 1185}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HG1 ))
      5.100     3.300     0.900 peak  1185 spectrum    1 weight  0.10000E+01 volume  0.43339E-03 ppm1     10.162 ppm2      1.802 CV     1
 ASSI { 1188}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      4.000     2.000     2.000 peak  1188 spectrum    1 weight  0.10000E+01 volume  0.13822E-02 ppm1     10.165 ppm2      1.375 CV     1
 OR { 1188}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HG2 ))
 ASSI { 1192}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 36   and name HD2%)
      6.000     4.700     0.000 peak  1192 spectrum    1 weight  0.10000E+01 volume  0.21343E-03 ppm1     10.165 ppm2      0.777 CV     1
 ASSI { 1198}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      6.000     6.000     0.000 peak  1198 spectrum    1 weight  0.10000E+01 volume  0.12440E-04 ppm1     10.181 ppm2      8.412 CV     1
 ASSI { 1204}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      6.000     5.300     0.000 peak  1204 spectrum    1 weight  0.10000E+01 volume  0.78863E-04 ppm1      8.224 ppm2      8.548 CV     1
 ASSI { 1210}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      4.300     2.400     1.700 peak  1210 spectrum    1 weight  0.10000E+01 volume  0.31002E-03 ppm1      8.218 ppm2      7.737 CV     1
 ASSI { 1213}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      6.000     5.600     0.000 peak  1213 spectrum    1 weight  0.10000E+01 volume  0.50693E-04 ppm1      8.225 ppm2      7.362 CV     1
 ASSI { 1215}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 32   and name HD% )
      2.500     0.800     0.800 peak  1215 spectrum    1 weight  0.10000E+01 volume  0.33972E-02 ppm1      8.223 ppm2      7.189 CV     1
 ASSI { 1225}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      4.600     2.600     1.400 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.19400E-03 ppm1      8.216 ppm2      4.821 CV     1
 ASSI { 1236}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      4.200     2.200     1.800 peak  1236 spectrum    1 weight  0.10000E+01 volume  0.73829E-03 ppm1      8.225 ppm2      3.865 CV     1
 ASSI { 1260}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      5.100     3.300     0.900 peak  1260 spectrum    1 weight  0.10000E+01 volume  0.13959E-03 ppm1      8.226 ppm2      1.373 CV     1
 OR { 1260}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 30   and name HG2 ))
 ASSI { 1263}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 68   and name HG2%)
      4.900     3.000     1.100 peak  1263 spectrum    1 weight  0.10000E+01 volume  0.82133E-03 ppm1      8.223 ppm2      1.057 CV     1
 ASSI { 1270}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      5.300     3.500     0.700 peak  1270 spectrum    1 weight  0.10000E+01 volume  0.14819E-03 ppm1      8.650 ppm2      5.254 CV     1
 ASSI { 1271}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      4.200     2.200     1.800 peak  1271 spectrum    1 weight  0.10000E+01 volume  0.35837E-03 ppm1      8.646 ppm2      4.919 CV     1
 ASSI { 1272}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      5.700     4.000     0.300 peak  1272 spectrum    1 weight  0.10000E+01 volume  0.12065E-03 ppm1      8.657 ppm2      4.656 CV     1
 ASSI { 1285}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      2.400     0.700     0.700 peak  1285 spectrum    1 weight  0.10000E+01 volume  0.39126E-02 ppm1      8.647 ppm2      3.161 CV     1
 OR { 1285}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
 ASSI { 1292}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 38   and name HB  ))
      5.200     3.400     0.800 peak  1292 spectrum    1 weight  0.10000E+01 volume  0.27480E-03 ppm1      8.647 ppm2      1.891 CV     1
 ASSI { 1296}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 43   and name HE% )
      5.100     3.300     0.900 peak  1296 spectrum    1 weight  0.10000E+01 volume  0.28630E-03 ppm1      8.647 ppm2      1.447 CV     1
 ASSI { 1298}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 33   and name HG2%)
      2.600     0.800     0.800 peak  1298 spectrum    1 weight  0.10000E+01 volume  0.33635E-02 ppm1      8.646 ppm2      1.274 CV     1
 ASSI { 1302}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
      4.600     2.600     1.400 peak  1302 spectrum    1 weight  0.10000E+01 volume  0.30222E-03 ppm1      8.647 ppm2      0.937 CV     1
 OR { 1302}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 38   and name HG1%)
 ASSI { 1307}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      3.000     1.100     1.100 peak  1307 spectrum    1 weight  0.10000E+01 volume  0.16946E-02 ppm1      8.647 ppm2      8.221 CV     1
 ASSI { 1312}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      4.500     2.500     1.500 peak  1312 spectrum    1 weight  0.10000E+01 volume  0.36301E-03 ppm1      8.646 ppm2      7.718 CV     1
 ASSI { 1314}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      5.000     3.100     1.000 peak  1314 spectrum    1 weight  0.10000E+01 volume  0.18653E-03 ppm1      8.647 ppm2      7.445 CV     1
 ASSI { 1315}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      5.600     3.900     0.400 peak  1315 spectrum    1 weight  0.10000E+01 volume  0.12563E-03 ppm1      8.649 ppm2      7.337 CV     1
 ASSI { 1316}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 32   and name HD% )
      4.600     2.600     1.400 peak  1316 spectrum    1 weight  0.10000E+01 volume  0.66530E-03 ppm1      8.647 ppm2      7.190 CV     1
 ASSI { 1322}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      2.800     1.000     1.000 peak  1322 spectrum    1 weight  0.10000E+01 volume  0.21224E-02 ppm1      7.971 ppm2      8.647 CV     1
 ASSI { 1326}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      3.300     1.400     1.400 peak  1326 spectrum    1 weight  0.10000E+01 volume  0.11693E-02 ppm1      7.974 ppm2      4.612 CV     1
 ASSI { 1333}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HB  ))
      3.700     1.700     1.700 peak  1333 spectrum    1 weight  0.10000E+01 volume  0.16472E-02 ppm1      7.971 ppm2      4.173 CV     1
 ASSI { 1334}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      2.700     0.900     0.900 peak  1334 spectrum    1 weight  0.10000E+01 volume  0.21415E-02 ppm1      7.946 ppm2      4.118 CV     1
 ASSI { 1335}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      4.000     2.000     2.000 peak  1335 spectrum    1 weight  0.10000E+01 volume  0.90086E-03 ppm1      7.975 ppm2      3.861 CV     1
 ASSI { 1336}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
      3.500     1.500     1.500 peak  1336 spectrum    1 weight  0.10000E+01 volume  0.11510E-02 ppm1      7.974 ppm2      2.771 CV     1
 ASSI { 1337}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      3.200     1.300     1.300 peak  1337 spectrum    1 weight  0.10000E+01 volume  0.18016E-02 ppm1      7.974 ppm2      2.444 CV     1
 ASSI { 1343}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 21   and name HD1%)
      6.000     4.500     0.000 peak  1343 spectrum    1 weight  0.10000E+01 volume  0.20450E-03 ppm1      7.445 ppm2      0.856 CV     1
 ASSI { 1345}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      2.600     0.800     0.800 peak  1345 spectrum    1 weight  0.10000E+01 volume  0.16045E-02 ppm1      7.447 ppm2      1.621 CV     1
 ASSI { 1346}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HG  ))
      2.300     0.600     0.600 peak  1346 spectrum    1 weight  0.10000E+01 volume  0.30919E-02 ppm1      7.446 ppm2      1.471 CV     1
 ASSI { 1347}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      5.100     3.200     0.900 peak  1347 spectrum    1 weight  0.10000E+01 volume  0.55394E-03 ppm1      7.446 ppm2      1.369 CV     1
 OR { 1347}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 30   and name HG2 ))
 ASSI { 1348}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      4.600     2.700     1.400 peak  1348 spectrum    1 weight  0.10000E+01 volume  0.22083E-03 ppm1      7.451 ppm2      2.044 CV     1
 ASSI { 1349}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      4.300     2.300     1.700 peak  1349 spectrum    1 weight  0.10000E+01 volume  0.35402E-03 ppm1      7.449 ppm2      2.468 CV     1
 ASSI { 1350}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
      3.100     1.200     1.200 peak  1350 spectrum    1 weight  0.10000E+01 volume  0.25573E-02 ppm1      7.446 ppm2      2.298 CV     1
 ASSI { 1353}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HB1 ))
      2.600     0.800     0.800 peak  1353 spectrum    1 weight  0.10000E+01 volume  0.20353E-02 ppm1      7.446 ppm2      3.048 CV     1
 ASSI { 1355}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      3.200     1.300     1.300 peak  1355 spectrum    1 weight  0.10000E+01 volume  0.10831E-02 ppm1      7.447 ppm2      4.088 CV     1
 ASSI { 1356}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      3.400     1.500     1.500 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.28817E-03 ppm1      7.448 ppm2      3.861 CV     1
 ASSI { 1357}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      4.800     2.800     1.200 peak  1357 spectrum    1 weight  0.10000E+01 volume  0.34719E-03 ppm1      7.448 ppm2      4.489 CV     1
 ASSI { 1360}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 32   and name HD% )
      4.000     2.000     2.000 peak  1360 spectrum    1 weight  0.10000E+01 volume  0.13933E-02 ppm1      7.445 ppm2      7.178 CV     1
 ASSI { 1364}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      4.700     2.700     1.300 peak  1364 spectrum    1 weight  0.10000E+01 volume  0.22973E-03 ppm1      7.456 ppm2      8.193 CV     1
 ASSI { 1366}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      3.900     1.900     1.900 peak  1366 spectrum    1 weight  0.10000E+01 volume  0.48432E-03 ppm1      7.445 ppm2      7.981 CV     1
 ASSI { 1368}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      2.200     0.600     0.600 peak  1368 spectrum    1 weight  0.10000E+01 volume  0.57476E-02 ppm1      7.447 ppm2      7.721 CV     1
 ASSI { 1373}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      3.900     1.900     1.900 peak  1373 spectrum    1 weight  0.10000E+01 volume  0.75190E-03 ppm1      7.358 ppm2      7.719 CV     1
 ASSI { 1376}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      1.900     0.500     0.500 peak  1376 spectrum    1 weight  0.10000E+01 volume  0.31233E-02 ppm1      7.348 ppm2      8.084 CV     1
 ASSI { 1377}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 32   and name HD% )
      3.500     1.600     1.600 peak  1377 spectrum    1 weight  0.10000E+01 volume  0.18513E-02 ppm1      7.347 ppm2      7.173 CV     1
 ASSI { 1381}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
      3.300     1.400     1.400 peak  1381 spectrum    1 weight  0.10000E+01 volume  0.74967E-03 ppm1      7.348 ppm2      2.293 CV     1
 ASSI { 1382}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      3.200     1.300     1.300 peak  1382 spectrum    1 weight  0.10000E+01 volume  0.12892E-02 ppm1      7.348 ppm2      3.083 CV     1
 ASSI { 1385}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      4.400     2.400     1.600 peak  1385 spectrum    1 weight  0.10000E+01 volume  0.24889E-03 ppm1      7.346 ppm2      4.610 CV     1
 ASSI { 1388}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      6.000     4.500     0.000 peak  1388 spectrum    1 weight  0.10000E+01 volume  0.17971E-03 ppm1      7.344 ppm2      4.309 CV     1
 ASSI { 1390}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      5.700     4.100     0.300 peak  1390 spectrum    1 weight  0.10000E+01 volume  0.11408E-03 ppm1      7.354 ppm2      3.955 CV     1
 ASSI { 1391}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 38   and name HB  ))
      4.900     3.000     1.100 peak  1391 spectrum    1 weight  0.10000E+01 volume  0.22715E-03 ppm1      7.348 ppm2      1.882 CV     1
 ASSI { 1393}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HG  ))
      4.600     2.600     1.400 peak  1393 spectrum    1 weight  0.10000E+01 volume  0.46103E-03 ppm1      7.347 ppm2      1.464 CV     1
 ASSI { 1396}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 21   and name HG2%)
      4.800     2.900     1.200 peak  1396 spectrum    1 weight  0.10000E+01 volume  0.15772E-03 ppm1      7.347 ppm2      1.016 CV     1
 ASSI { 1397}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
      4.400     2.400     1.600 peak  1397 spectrum    1 weight  0.10000E+01 volume  0.72125E-03 ppm1      7.348 ppm2      0.943 CV     1
 OR { 1397}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 38   and name HG1%)
 ASSI { 1398}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 21   and name HD1%)
      3.600     1.600     1.600 peak  1398 spectrum    1 weight  0.10000E+01 volume  0.43090E-03 ppm1      7.347 ppm2      0.841 CV     1
 ASSI { 1399}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 36   and name HD2%)
      3.200     1.300     1.300 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.49387E-03 ppm1      7.348 ppm2      0.767 CV     1
 ASSI { 1402}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
      4.900     3.000     1.100 peak  1402 spectrum    1 weight  0.10000E+01 volume  0.60879E-03 ppm1      8.087 ppm2      2.289 CV     1
 ASSI { 1406}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HB  ))
      2.100     0.500     0.500 peak  1406 spectrum    1 weight  0.10000E+01 volume  0.55188E-02 ppm1      8.088 ppm2      1.891 CV     1
 ASSI { 1408}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      4.000     2.000     2.000 peak  1408 spectrum    1 weight  0.10000E+01 volume  0.47057E-03 ppm1      8.088 ppm2      1.622 CV     1
 ASSI { 1409}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 19   and name HB% )
      4.700     2.800     1.300 peak  1409 spectrum    1 weight  0.10000E+01 volume  0.28782E-03 ppm1      8.085 ppm2      1.543 CV     1
 ASSI { 1416}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 21   and name HD1%)
      4.500     2.500     1.500 peak  1416 spectrum    1 weight  0.10000E+01 volume  0.25103E-03 ppm1      8.091 ppm2      0.852 CV     1
 ASSI { 1417}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 36   and name HD2%)
      4.200     2.200     1.800 peak  1417 spectrum    1 weight  0.10000E+01 volume  0.13980E-03 ppm1      8.082 ppm2      0.784 CV     1
 ASSI { 1418}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 36   and name HD1%)
      5.700     4.100     0.300 peak  1418 spectrum    1 weight  0.10000E+01 volume  0.21421E-03 ppm1      8.087 ppm2      0.605 CV     1
 ASSI { 1419}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
      4.100     2.100     1.900 peak  1419 spectrum    1 weight  0.10000E+01 volume  0.56348E-03 ppm1      8.087 ppm2      3.156 CV     1
 OR { 1419}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
 ASSI { 1420}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      4.200     2.200     1.800 peak  1420 spectrum    1 weight  0.10000E+01 volume  0.51748E-03 ppm1      8.087 ppm2      3.087 CV     1
 ASSI { 1422}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      4.400     2.400     1.600 peak  1422 spectrum    1 weight  0.10000E+01 volume  0.37549E-03 ppm1      8.091 ppm2      4.076 CV     1
 ASSI { 1424}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      2.700     0.900     0.900 peak  1424 spectrum    1 weight  0.10000E+01 volume  0.27707E-02 ppm1      8.088 ppm2      4.486 CV     1
 ASSI { 1429}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      4.500     2.500     1.500 peak  1429 spectrum    1 weight  0.10000E+01 volume  0.67370E-03 ppm1      8.088 ppm2      7.448 CV     1
 ASSI { 1432}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 32   and name HD% )
      4.600     2.700     1.400 peak  1432 spectrum    1 weight  0.10000E+01 volume  0.27913E-03 ppm1      8.085 ppm2      7.167 CV     1
 ASSI { 1448}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      5.300     3.500     0.700 peak  1448 spectrum    1 weight  0.10000E+01 volume  0.51388E-03 ppm1      8.920 ppm2      8.650 CV     1
 ASSI { 1450}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      3.000     1.100     1.100 peak  1450 spectrum    1 weight  0.10000E+01 volume  0.70951E-03 ppm1      8.919 ppm2      8.215 CV     1
 ASSI { 1451}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      2.700     0.900     0.900 peak  1451 spectrum    1 weight  0.10000E+01 volume  0.17406E-02 ppm1      8.920 ppm2      8.109 CV     1
 ASSI { 1460}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      2.200     0.600     0.600 peak  1460 spectrum    1 weight  0.10000E+01 volume  0.72020E-02 ppm1      8.920 ppm2      4.145 CV     1
 OR { 1460}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
 OR { 1460}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
 ASSI { 1463}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name H28A))
      5.000     3.200     1.000 peak  1463 spectrum    1 weight  0.10000E+01 volume  0.22097E-03 ppm1      8.918 ppm2      3.735 CV     1
 ASSI { 1467}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HB1 ))
      3.000     1.200     1.200 peak  1467 spectrum    1 weight  0.10000E+01 volume  0.40148E-02 ppm1      8.919 ppm2      3.098 CV     1
 ASSI { 1473}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 43   and name HB1 ))
      5.600     4.000     0.400 peak  1473 spectrum    1 weight  0.10000E+01 volume  0.10276E-03 ppm1      8.923 ppm2      1.994 CV     1
 OR { 1473}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
 ASSI { 1478}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 43   and name HE% )
      5.900     4.400     0.100 peak  1478 spectrum    1 weight  0.10000E+01 volume  0.82056E-04 ppm1      8.916 ppm2      1.455 CV     1
 ASSI { 1480}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 33   and name HG2%)
      4.800     2.900     1.200 peak  1480 spectrum    1 weight  0.10000E+01 volume  0.16138E-03 ppm1      8.917 ppm2      1.282 CV     1
 ASSI { 1484}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 44   and name HG2%)
      5.900     4.300     0.100 peak  1484 spectrum    1 weight  0.10000E+01 volume  0.12364E-03 ppm1      8.118 ppm2      1.085 CV     1
 ASSI { 1490}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
      3.800     1.800     1.800 peak  1490 spectrum    1 weight  0.10000E+01 volume  0.46340E-03 ppm1      8.112 ppm2      2.767 CV     1
 ASSI { 1497}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
      3.100     1.200     1.200 peak  1497 spectrum    1 weight  0.10000E+01 volume  0.54425E-02 ppm1      8.113 ppm2      1.875 CV     1
 ASSI { 1502}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 39   and name HB1 ))
      3.600     1.600     1.600 peak  1502 spectrum    1 weight  0.10000E+01 volume  0.68042E-03 ppm1      8.112 ppm2      3.097 CV     1
 ASSI { 1503}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name H28A))
      4.700     2.800     1.300 peak  1503 spectrum    1 weight  0.10000E+01 volume  0.12644E-03 ppm1      8.107 ppm2      3.752 CV     1
 ASSI { 1504}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
      6.000     4.800     0.000 peak  1504 spectrum    1 weight  0.10000E+01 volume  0.11946E-03 ppm1      8.105 ppm2      3.667 CV     1
 ASSI { 1508}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      2.800     1.000     1.000 peak  1508 spectrum    1 weight  0.10000E+01 volume  0.27232E-02 ppm1      8.111 ppm2      4.143 CV     1
 OR { 1508}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
 OR { 1508}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
 ASSI { 1510}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      5.000     3.100     1.000 peak  1510 spectrum    1 weight  0.10000E+01 volume  0.14490E-03 ppm1      8.111 ppm2      4.656 CV     1
 ASSI { 1518}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      3.100     1.200     1.200 peak  1518 spectrum    1 weight  0.10000E+01 volume  0.16525E-02 ppm1      8.111 ppm2      8.210 CV     1
 ASSI { 1522}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      5.200     3.400     0.800 peak  1522 spectrum    1 weight  0.10000E+01 volume  0.17988E-03 ppm1      8.103 ppm2      7.264 CV     1
 ASSI { 1525}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      3.900     1.900     1.900 peak  1525 spectrum    1 weight  0.10000E+01 volume  0.52415E-03 ppm1      8.393 ppm2      4.136 CV     1
 ASSI { 1532}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 39   and name HB1 ))
      4.900     3.000     1.100 peak  1532 spectrum    1 weight  0.10000E+01 volume  0.32489E-03 ppm1      8.393 ppm2      3.099 CV     1
 ASSI { 1537}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HB1 ))
      5.900     4.300     0.100 peak  1537 spectrum    1 weight  0.10000E+01 volume  0.28497E-03 ppm1      8.401 ppm2      2.029 CV     1
 ASSI { 1538}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      5.000     3.200     1.000 peak  1538 spectrum    1 weight  0.10000E+01 volume  0.28122E-03 ppm1      8.399 ppm2      1.970 CV     1
 ASSI { 1540}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HG  ))
      5.200     3.400     0.800 peak  1540 spectrum    1 weight  0.10000E+01 volume  0.28761E-03 ppm1      8.398 ppm2      1.731 CV     1
 ASSI { 1542}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 19   and name HB% )
      5.300     3.500     0.700 peak  1542 spectrum    1 weight  0.10000E+01 volume  0.15102E-03 ppm1      8.391 ppm2      1.539 CV     1
 ASSI { 1546}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      3.000     1.200     1.200 peak  1546 spectrum    1 weight  0.10000E+01 volume  0.18190E-02 ppm1      8.393 ppm2      8.216 CV     1
 ASSI { 1547}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      2.300     0.600     0.600 peak  1547 spectrum    1 weight  0.10000E+01 volume  0.46975E-02 ppm1      8.394 ppm2      8.111 CV     1
 ASSI { 1553}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      4.400     2.400     1.600 peak  1553 spectrum    1 weight  0.10000E+01 volume  0.27465E-03 ppm1      8.393 ppm2      7.274 CV     1
 ASSI { 1558}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      4.200     2.200     1.800 peak  1558 spectrum    1 weight  0.10000E+01 volume  0.12681E-02 ppm1      8.395 ppm2      8.490 CV     1
 ASSI { 1559}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      4.000     2.000     2.000 peak  1559 spectrum    1 weight  0.10000E+01 volume  0.34541E-03 ppm1      8.388 ppm2      8.912 CV     1
 ASSI { 1569}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
      5.000     3.200     1.000 peak  1569 spectrum    1 weight  0.10000E+01 volume  0.24644E-03 ppm1      7.267 ppm2      2.123 CV     1
 ASSI { 1570}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HB1 ))
      3.000     1.200     1.200 peak  1570 spectrum    1 weight  0.10000E+01 volume  0.11806E-02 ppm1      7.268 ppm2      2.034 CV     1
 ASSI { 1571}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      3.200     1.300     1.300 peak  1571 spectrum    1 weight  0.10000E+01 volume  0.15104E-02 ppm1      7.268 ppm2      1.947 CV     1
 ASSI { 1582}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
      4.900     3.100     1.100 peak  1582 spectrum    1 weight  0.10000E+01 volume  0.17757E-03 ppm1      7.267 ppm2      3.669 CV     1
 ASSI { 1587}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      2.300     0.700     0.700 peak  1587 spectrum    1 weight  0.10000E+01 volume  0.44698E-02 ppm1      7.268 ppm2      6.991 CV     1
 ASSI { 1593}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      4.100     2.100     1.900 peak  1593 spectrum    1 weight  0.10000E+01 volume  0.42103E-03 ppm1      7.266 ppm2      8.099 CV     1
 ASSI { 1600}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      3.900     1.900     1.900 peak  1600 spectrum    1 weight  0.10000E+01 volume  0.50150E-03 ppm1      6.990 ppm2      8.383 CV     1
 ASSI { 1603}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      2.200     0.600     0.600 peak  1603 spectrum    1 weight  0.10000E+01 volume  0.46075E-02 ppm1      6.990 ppm2      8.079 CV     1
 ASSI { 1604}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      3.900     1.900     1.900 peak  1604 spectrum    1 weight  0.10000E+01 volume  0.81622E-03 ppm1      6.991 ppm2      7.983 CV     1
 ASSI { 1621}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      2.600     2.600     3.400 peak  1621 spectrum    1 weight  0.10000E+01 volume  0.14058E-02 ppm1      6.991 ppm2      4.291 CV     1
 ASSI { 1626}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
      5.000     3.100     1.000 peak  1626 spectrum    1 weight  0.10000E+01 volume  0.20949E-03 ppm1      6.990 ppm2      3.670 CV     1
 ASSI { 1628}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      5.200     3.400     0.800 peak  1628 spectrum    1 weight  0.10000E+01 volume  0.24453E-03 ppm1      6.992 ppm2      3.419 CV     1
 ASSI { 1635}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 18   and name HG12))
      6.000     5.800     0.000 peak  1635 spectrum    1 weight  0.10000E+01 volume  0.89565E-04 ppm1      6.993 ppm2      1.293 CV     1
 ASSI { 1641}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 46   and name HG1%)
      6.000     5.100     0.000 peak  1641 spectrum    1 weight  0.10000E+01 volume  0.17167E-03 ppm1      6.992 ppm2      0.667 CV     1
 ASSI { 1652}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 60   and name HB1 ))
      6.000     4.800     0.000 peak  1652 spectrum    1 weight  0.10000E+01 volume  0.11592E-03 ppm1      8.081 ppm2      2.622 CV     1
 OR { 1652}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
 ASSI { 1654}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HG1 ))
      4.700     2.800     1.300 peak  1654 spectrum    1 weight  0.10000E+01 volume  0.59386E-03 ppm1      8.081 ppm2      2.455 CV     1
 ASSI { 1662}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      5.100     3.300     0.900 peak  1662 spectrum    1 weight  0.10000E+01 volume  0.30503E-03 ppm1      8.082 ppm2      3.322 CV     1
 ASSI { 1663}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
      3.500     1.600     1.600 peak  1663 spectrum    1 weight  0.10000E+01 volume  0.11752E-02 ppm1      8.076 ppm2      3.671 CV     1
 ASSI { 1685}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      4.400     2.500     1.600 peak  1685 spectrum    1 weight  0.10000E+01 volume  0.32204E-03 ppm1      8.002 ppm2      7.276 CV     1
 ASSI { 1694}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      2.300     0.700     0.700 peak  1694 spectrum    1 weight  0.10000E+01 volume  0.44093E-02 ppm1      7.997 ppm2      8.075 CV     1
 ASSI { 1697}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      4.100     2.100     1.900 peak  1697 spectrum    1 weight  0.10000E+01 volume  0.35807E-03 ppm1      8.000 ppm2      4.065 CV     1
 ASSI { 1699}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      3.300     1.400     1.400 peak  1699 spectrum    1 weight  0.10000E+01 volume  0.11714E-02 ppm1      7.999 ppm2      3.576 CV     1
 ASSI { 1700}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      3.200     1.200     1.200 peak  1700 spectrum    1 weight  0.10000E+01 volume  0.93055E-03 ppm1      7.998 ppm2      3.414 CV     1
 ASSI { 1709}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 50   and name HB% )
      4.300     2.400     1.700 peak  1709 spectrum    1 weight  0.10000E+01 volume  0.43820E-03 ppm1      7.999 ppm2      1.462 CV     1
 ASSI { 1712}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 47   and name HG2%)
      2.600     0.800     0.800 peak  1712 spectrum    1 weight  0.10000E+01 volume  0.69809E-02 ppm1      7.998 ppm2      0.901 CV     1
 OR { 1712}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 47   and name HG1%)
 ASSI { 1722}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      3.600     1.600     1.600 peak  1722 spectrum    1 weight  0.10000E+01 volume  0.82764E-03 ppm1      7.897 ppm2      3.290 CV     1
 ASSI { 1725}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      3.200     3.200     2.800 peak  1725 spectrum    1 weight  0.10000E+01 volume  0.16850E-02 ppm1      7.904 ppm2      8.079 CV     1
 ASSI { 1726}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      2.800     1.000     1.000 peak  1726 spectrum    1 weight  0.10000E+01 volume  0.25967E-02 ppm1      7.904 ppm2      8.008 CV     1
 ASSI { 1727}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
      4.200     2.200     1.800 peak  1727 spectrum    1 weight  0.10000E+01 volume  0.54430E-03 ppm1      7.907 ppm2      8.886 CV     1
 ASSI { 1734}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      3.300     3.300     2.700 peak  1734 spectrum    1 weight  0.10000E+01 volume  0.29838E-02 ppm1      7.906 ppm2      7.730 CV     1
 ASSI { 1739}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      4.000     2.000     2.000 peak  1739 spectrum    1 weight  0.10000E+01 volume  0.10723E-03 ppm1      7.907 ppm2      6.951 CV     1
 ASSI { 1745}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      3.500     1.500     1.500 peak  1745 spectrum    1 weight  0.10000E+01 volume  0.83531E-03 ppm1      7.905 ppm2      4.062 CV     1
 ASSI { 1749}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      3.300     1.300     1.300 peak  1749 spectrum    1 weight  0.10000E+01 volume  0.10148E-02 ppm1      7.905 ppm2      3.429 CV     1
 ASSI { 1750}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      4.100     2.100     1.900 peak  1750 spectrum    1 weight  0.10000E+01 volume  0.40385E-03 ppm1      7.902 ppm2      3.301 CV     1
 ASSI { 1752}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 48   and name HG1%)
      3.200     1.300     1.300 peak  1752 spectrum    1 weight  0.10000E+01 volume  0.20918E-02 ppm1      7.905 ppm2      0.998 CV     1
 ASSI { 1754}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 14   and name HD1%)
      4.400     2.400     1.600 peak  1754 spectrum    1 weight  0.10000E+01 volume  0.65242E-03 ppm1      7.906 ppm2      0.763 CV     1
 ASSI { 1759}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 47   and name HB  ))
      4.400     2.500     1.600 peak  1759 spectrum    1 weight  0.10000E+01 volume  0.52977E-03 ppm1      7.906 ppm2      2.233 CV     1
 ASSI { 1779}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 14   and name HD1%)
      3.000     1.100     1.100 peak  1779 spectrum    1 weight  0.10000E+01 volume  0.16657E-02 ppm1      8.811 ppm2      0.741 CV     1
 ASSI { 1791}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      3.100     1.200     1.200 peak  1791 spectrum    1 weight  0.10000E+01 volume  0.11268E-02 ppm1      8.811 ppm2      3.296 CV     1
 ASSI { 1792}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 51   and name HG1 ))
      4.600     2.600     1.400 peak  1792 spectrum    1 weight  0.10000E+01 volume  0.28176E-03 ppm1      8.809 ppm2      2.820 CV     1
 ASSI { 1796}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      6.000     5.600     0.000 peak  1796 spectrum    1 weight  0.10000E+01 volume  0.50575E-04 ppm1      8.805 ppm2      8.207 CV     1
 ASSI { 1798}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      4.900     2.900     1.100 peak  1798 spectrum    1 weight  0.10000E+01 volume  0.15092E-03 ppm1      8.812 ppm2      7.990 CV     1
 ASSI { 1801}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      4.500     2.500     1.500 peak  1801 spectrum    1 weight  0.10000E+01 volume  0.36144E-03 ppm1      8.812 ppm2      7.730 CV     1
 ASSI { 1803}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 54   and name HD% )
      6.000     4.600     0.000 peak  1803 spectrum    1 weight  0.10000E+01 volume  0.22311E-03 ppm1      8.811 ppm2      7.466 CV     1
 ASSI { 1817}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 54   and name HN  ))
      4.800     2.800     1.200 peak  1817 spectrum    1 weight  0.10000E+01 volume  0.26657E-03 ppm1      8.857 ppm2      8.130 CV     1
 ASSI { 1818}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      5.100     3.200     0.900 peak  1818 spectrum    1 weight  0.10000E+01 volume  0.23298E-03 ppm1      8.854 ppm2      8.006 CV     1
 ASSI { 1821}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      2.500     0.800     0.800 peak  1821 spectrum    1 weight  0.10000E+01 volume  0.26505E-02 ppm1      8.860 ppm2      7.725 CV     1
 ASSI { 1824}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 54   and name HD% )
      5.100     3.200     0.900 peak  1824 spectrum    1 weight  0.10000E+01 volume  0.21169E-03 ppm1      8.857 ppm2      7.461 CV     1
 ASSI { 1825}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      5.800     4.200     0.200 peak  1825 spectrum    1 weight  0.10000E+01 volume  0.22247E-03 ppm1      8.864 ppm2      4.727 CV     1
 ASSI { 1827}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      4.700     2.800     1.300 peak  1827 spectrum    1 weight  0.10000E+01 volume  0.22653E-03 ppm1      8.865 ppm2      4.263 CV     1
 ASSI { 1828}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      2.700     0.900     0.900 peak  1828 spectrum    1 weight  0.10000E+01 volume  0.24543E-02 ppm1      8.860 ppm2      4.185 CV     1
 ASSI { 1829}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      5.300     3.500     0.700 peak  1829 spectrum    1 weight  0.10000E+01 volume  0.29373E-03 ppm1      8.861 ppm2      4.093 CV     1
 ASSI { 1836}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      3.800     1.800     1.800 peak  1836 spectrum    1 weight  0.10000E+01 volume  0.51803E-03 ppm1      8.865 ppm2      3.296 CV     1
 ASSI { 1839}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 50   and name HB% )
      2.700     0.900     0.900 peak  1839 spectrum    1 weight  0.10000E+01 volume  0.33173E-02 ppm1      8.860 ppm2      1.500 CV     1
 ASSI { 1841}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 57   and name HE2 ))
      5.700     4.000     0.300 peak  1841 spectrum    1 weight  0.10000E+01 volume  0.17178E-03 ppm1      8.860 ppm2      2.925 CV     1
 OR { 1841}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 57   and name HE1 ))
 ASSI { 1842}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HG1 ))
      2.400     0.700     0.700 peak  1842 spectrum    1 weight  0.10000E+01 volume  0.37840E-02 ppm1      8.861 ppm2      2.824 CV     1
 ASSI { 1845}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
      3.300     1.400     1.400 peak  1845 spectrum    1 weight  0.10000E+01 volume  0.36533E-02 ppm1      8.860 ppm2      2.476 CV     1
 ASSI { 1847}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HG2 ))
      3.100     1.200     1.200 peak  1847 spectrum    1 weight  0.10000E+01 volume  0.21649E-02 ppm1      8.860 ppm2      2.296 CV     1
 ASSI { 1853}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 14   and name HD1%)
      5.000     3.200     1.000 peak  1853 spectrum    1 weight  0.10000E+01 volume  0.22638E-03 ppm1      8.859 ppm2      0.751 CV     1
 ASSI { 1855}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      6.000     5.000     0.000 peak  1855 spectrum    1 weight  0.10000E+01 volume  0.90607E-04 ppm1      7.715 ppm2      3.313 CV     1
 ASSI { 1860}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HG2 ))
      3.800     1.800     1.800 peak  1860 spectrum    1 weight  0.10000E+01 volume  0.12522E-02 ppm1      7.727 ppm2      2.242 CV     1
 ASSI { 1864}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
      4.900     3.000     1.100 peak  1864 spectrum    1 weight  0.10000E+01 volume  0.35337E-03 ppm1      7.727 ppm2      1.621 CV     1
 ASSI { 1866}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 50   and name HB% )
      4.400     2.400     1.600 peak  1866 spectrum    1 weight  0.10000E+01 volume  0.44776E-03 ppm1      7.724 ppm2      1.510 CV     1
 ASSI { 1867}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
      5.100     3.300     0.900 peak  1867 spectrum    1 weight  0.10000E+01 volume  0.38144E-03 ppm1      7.728 ppm2      1.104 CV     1
 ASSI { 1871}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 14   and name HD1%)
      5.000     3.100     1.000 peak  1871 spectrum    1 weight  0.10000E+01 volume  0.20365E-03 ppm1      7.728 ppm2      0.749 CV     1
 ASSI { 1875}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      2.800     1.000     1.000 peak  1875 spectrum    1 weight  0.10000E+01 volume  0.32142E-02 ppm1      7.725 ppm2      4.121 CV     1
 ASSI { 1881}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 54   and name HD% )
      3.900     1.900     1.900 peak  1881 spectrum    1 weight  0.10000E+01 volume  0.15588E-02 ppm1      7.728 ppm2      7.457 CV     1
 ASSI { 1893}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      2.400     0.700     0.700 peak  1893 spectrum    1 weight  0.10000E+01 volume  0.28651E-02 ppm1      7.723 ppm2      8.213 CV     1
 ASSI { 1907}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 54   and name HD% )
      4.400     2.500     1.600 peak  1907 spectrum    1 weight  0.10000E+01 volume  0.69627E-03 ppm1      8.209 ppm2      7.475 CV     1
 OR { 1907}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 54   and name HZ  ))
 ASSI { 1914}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
      4.600     2.700     1.400 peak  1914 spectrum    1 weight  0.10000E+01 volume  0.33188E-03 ppm1      8.206 ppm2      8.874 CV     1
 ASSI { 1916}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      5.900     4.400     0.100 peak  1916 spectrum    1 weight  0.10000E+01 volume  0.15361E-03 ppm1      8.210 ppm2      4.851 CV     1
 ASSI { 1920}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
      6.000     6.000     0.000 peak  1920 spectrum    1 weight  0.10000E+01 volume  0.11046E-03 ppm1      8.198 ppm2      3.470 CV     1
 ASSI { 1925}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
      3.200     1.300     1.300 peak  1925 spectrum    1 weight  0.10000E+01 volume  0.20662E-02 ppm1      8.207 ppm2      2.044 CV     1
 ASSI { 1931}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 50   and name HB% )
      4.600     2.600     1.400 peak  1931 spectrum    1 weight  0.10000E+01 volume  0.63415E-03 ppm1      8.201 ppm2      1.519 CV     1
 ASSI { 1934}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
      3.300     1.300     1.300 peak  1934 spectrum    1 weight  0.10000E+01 volume  0.34102E-02 ppm1      8.202 ppm2      1.087 CV     1
 ASSI { 1936}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 14   and name HD1%)
      4.600     2.600     1.400 peak  1936 spectrum    1 weight  0.10000E+01 volume  0.56641E-03 ppm1      8.199 ppm2      0.756 CV     1
 ASSI { 1939}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
      3.300     1.400     1.400 peak  1939 spectrum    1 weight  0.10000E+01 volume  0.23677E-02 ppm1      8.129 ppm2      1.085 CV     1
 ASSI { 1940}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HG1 ))
      3.000     1.200     1.200 peak  1940 spectrum    1 weight  0.10000E+01 volume  0.75697E-03 ppm1      8.130 ppm2      0.873 CV     1
 ASSI { 1941}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 14   and name HD1%)
      3.300     3.300     2.700 peak  1941 spectrum    1 weight  0.10000E+01 volume  0.35094E-03 ppm1      8.130 ppm2      0.743 CV     1
 ASSI { 1942}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HG2 ))
      3.500     1.500     1.500 peak  1942 spectrum    1 weight  0.10000E+01 volume  0.51209E-03 ppm1      8.131 ppm2      0.672 CV     1
 ASSI { 1945}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
      3.800     1.800     1.800 peak  1945 spectrum    1 weight  0.10000E+01 volume  0.12671E-02 ppm1      8.131 ppm2      1.612 CV     1
 ASSI { 1946}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 50   and name HB% )
      4.600     2.600     1.400 peak  1946 spectrum    1 weight  0.10000E+01 volume  0.48569E-03 ppm1      8.127 ppm2      1.499 CV     1
 ASSI { 1952}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 55   and name HB1 ))
      6.000     4.800     0.000 peak  1952 spectrum    1 weight  0.10000E+01 volume  0.17648E-03 ppm1      8.128 ppm2      3.262 CV     1
 ASSI { 1956}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
      5.200     3.300     0.800 peak  1956 spectrum    1 weight  0.10000E+01 volume  0.28217E-03 ppm1      8.130 ppm2      2.559 CV     1
 ASSI { 1957}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
      5.900     4.400     0.100 peak  1957 spectrum    1 weight  0.10000E+01 volume  0.81873E-04 ppm1      8.130 ppm2      2.484 CV     1
 ASSI { 1959}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      3.700     1.700     1.700 peak  1959 spectrum    1 weight  0.10000E+01 volume  0.51607E-03 ppm1      8.133 ppm2      4.177 CV     1
 ASSI { 1961}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      4.900     3.000     1.100 peak  1961 spectrum    1 weight  0.10000E+01 volume  0.88843E-03 ppm1      8.130 ppm2      4.495 CV     1
 ASSI { 1964}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      4.100     2.100     1.900 peak  1964 spectrum    1 weight  0.10000E+01 volume  0.79201E-03 ppm1      8.130 ppm2      7.729 CV     1
 ASSI { 1966}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 54   and name HD% )
      3.000     1.100     1.100 peak  1966 spectrum    1 weight  0.10000E+01 volume  0.25432E-02 ppm1      8.130 ppm2      7.472 CV     1
 ASSI { 1968}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 54   and name HE% )
      4.800     2.800     1.200 peak  1968 spectrum    1 weight  0.10000E+01 volume  0.35716E-03 ppm1      8.131 ppm2      7.134 CV     1
 ASSI { 1974}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      3.500     1.500     1.500 peak  1974 spectrum    1 weight  0.10000E+01 volume  0.32805E-03 ppm1      7.826 ppm2      8.213 CV     1
 ASSI { 1975}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 54   and name HN  ))
      4.700     2.800     1.300 peak  1975 spectrum    1 weight  0.10000E+01 volume  0.26120E-03 ppm1      7.824 ppm2      8.135 CV     1
 ASSI { 1977}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
      5.500     3.800     0.500 peak  1977 spectrum    1 weight  0.10000E+01 volume  0.21682E-03 ppm1      7.827 ppm2      8.868 CV     1
 ASSI { 1985}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 80   and name HE21))
      3.700     3.700     2.300 peak  1985 spectrum    1 weight  0.10000E+01 volume  0.24256E-02 ppm1      7.827 ppm2      7.649 CV     1
 ASSI { 1989}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      2.900     1.000     1.000 peak  1989 spectrum    1 weight  0.10000E+01 volume  0.30842E-02 ppm1      7.825 ppm2      4.184 CV     1
 ASSI { 1990}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      2.500     0.800     0.800 peak  1990 spectrum    1 weight  0.10000E+01 volume  0.56476E-02 ppm1      7.825 ppm2      4.491 CV     1
 ASSI { 1991}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      3.000     1.100     1.100 peak  1991 spectrum    1 weight  0.10000E+01 volume  0.16002E-02 ppm1      7.826 ppm2      4.677 CV     1
 ASSI { 1992}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      4.900     3.000     1.100 peak  1992 spectrum    1 weight  0.10000E+01 volume  0.20751E-03 ppm1      7.823 ppm2      4.841 CV     1
 ASSI { 1993}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
      3.900     1.900     1.900 peak  1993 spectrum    1 weight  0.10000E+01 volume  0.37247E-03 ppm1      7.825 ppm2      3.437 CV     1
 ASSI { 1994}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HB1 ))
      4.100     2.100     1.900 peak  1994 spectrum    1 weight  0.10000E+01 volume  0.50086E-03 ppm1      7.826 ppm2      3.256 CV     1
 ASSI { 1997}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
      3.300     1.400     1.400 peak  1997 spectrum    1 weight  0.10000E+01 volume  0.45412E-03 ppm1      7.825 ppm2      2.742 CV     1
 ASSI { 2000}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
      5.100     3.200     0.900 peak  2000 spectrum    1 weight  0.10000E+01 volume  0.27756E-03 ppm1      7.826 ppm2      2.463 CV     1
 ASSI { 2001}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 56   and name HG1%)
      2.900     1.000     1.000 peak  2001 spectrum    1 weight  0.10000E+01 volume  0.28915E-02 ppm1      7.826 ppm2      0.939 CV     1
 OR { 2001}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 56   and name HG2%)
 ASSI { 2010}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HG1 ))
      3.700     1.700     1.700 peak  2010 spectrum    1 weight  0.10000E+01 volume  0.61048E-03 ppm1      9.879 ppm2      1.355 CV     1
 OR { 2010}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HG2 ))
 ASSI { 2018}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      3.700     1.700     1.700 peak  2018 spectrum    1 weight  0.10000E+01 volume  0.12539E-02 ppm1      9.879 ppm2      0.340 CV     1
 ASSI { 2022}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HE2 ))
      4.600     2.600     1.400 peak  2022 spectrum    1 weight  0.10000E+01 volume  0.17364E-03 ppm1      9.883 ppm2      2.932 CV     1
 OR { 2022}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HE1 ))
 ASSI { 2024}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
      6.000     5.000     0.000 peak  2024 spectrum    1 weight  0.10000E+01 volume  0.59199E-04 ppm1      9.880 ppm2      2.720 CV     1
 ASSI { 2025}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
      4.800     2.900     1.200 peak  2025 spectrum    1 weight  0.10000E+01 volume  0.40744E-03 ppm1      9.879 ppm2      2.475 CV     1
 ASSI { 2027}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 51   and name HG2 ))
      2.000     0.500     0.500 peak  2027 spectrum    1 weight  0.10000E+01 volume  0.18481E-02 ppm1      9.879 ppm2      2.299 CV     1
 ASSI { 2029}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
      5.700     4.000     0.300 peak  2029 spectrum    1 weight  0.10000E+01 volume  0.33616E-03 ppm1      9.880 ppm2      2.118 CV     1
 ASSI { 2031}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 59   and name HG2 ))
      5.700     4.100     0.300 peak  2031 spectrum    1 weight  0.10000E+01 volume  0.15092E-03 ppm1      9.881 ppm2      1.945 CV     1
 OR { 2031}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 59   and name HB2 ))
 ASSI { 2032}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      1.900     0.500     0.500 peak  2032 spectrum    1 weight  0.10000E+01 volume  0.78991E-02 ppm1      9.879 ppm2      4.737 CV     1
 ASSI { 2034}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      2.700     0.900     0.900 peak  2034 spectrum    1 weight  0.10000E+01 volume  0.13915E-02 ppm1      9.879 ppm2      4.524 CV     1
 ASSI { 2037}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      4.900     3.000     1.100 peak  2037 spectrum    1 weight  0.10000E+01 volume  0.27858E-03 ppm1      9.880 ppm2      4.180 CV     1
 ASSI { 2039}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 59   and name HD1 ))
      3.600     1.600     1.600 peak  2039 spectrum    1 weight  0.10000E+01 volume  0.45245E-03 ppm1      9.880 ppm2      3.792 CV     1
 OR { 2039}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 59   and name HD2 ))
 ASSI { 2040}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 75   and name HE% )
      5.400     3.600     0.600 peak  2040 spectrum    1 weight  0.10000E+01 volume  0.16202E-03 ppm1      9.877 ppm2      6.550 CV     1
 ASSI { 2041}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      4.400     2.400     1.600 peak  2041 spectrum    1 weight  0.10000E+01 volume  0.35530E-03 ppm1      9.881 ppm2      8.185 CV     1
 ASSI { 2046}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
      6.000     4.600     0.000 peak  2046 spectrum    1 weight  0.10000E+01 volume  0.14792E-03 ppm1      9.881 ppm2      8.858 CV     1
 ASSI { 2054}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 48   and name HN  ))
      4.000     2.000     2.000 peak  2054 spectrum    1 weight  0.10000E+01 volume  0.11071E-03 ppm1      8.624 ppm2      7.896 CV     1
 ASSI { 2055}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      5.500     3.800     0.500 peak  2055 spectrum    1 weight  0.10000E+01 volume  0.13300E-03 ppm1      8.627 ppm2      7.591 CV     1
 ASSI { 2056}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      5.400     3.700     0.600 peak  2056 spectrum    1 weight  0.10000E+01 volume  0.14655E-03 ppm1      8.623 ppm2      7.508 CV     1
 ASSI { 2060}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      2.200     0.600     0.600 peak  2060 spectrum    1 weight  0.10000E+01 volume  0.70152E-02 ppm1      8.624 ppm2      4.400 CV     1
 ASSI { 2061}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      4.900     3.000     1.100 peak  2061 spectrum    1 weight  0.10000E+01 volume  0.35539E-03 ppm1      8.626 ppm2      4.308 CV     1
 ASSI { 2062}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      2.600     0.800     0.800 peak  2062 spectrum    1 weight  0.10000E+01 volume  0.29939E-02 ppm1      8.624 ppm2      4.198 CV     1
 ASSI { 2066}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HD1 ))
      5.800     4.200     0.200 peak  2066 spectrum    1 weight  0.10000E+01 volume  0.18899E-03 ppm1      8.629 ppm2      3.789 CV     1
 OR { 2066}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HD2 ))
 ASSI { 2072}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HB1 ))
      2.500     0.800     0.800 peak  2072 spectrum    1 weight  0.10000E+01 volume  0.45920E-02 ppm1      8.624 ppm2      2.608 CV     1
 OR { 2072}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
 ASSI { 2073}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      5.300     3.500     0.700 peak  2073 spectrum    1 weight  0.10000E+01 volume  0.22868E-03 ppm1      8.625 ppm2      2.484 CV     1
 ASSI { 2074}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HB1 ))
      3.500     1.500     1.500 peak  2074 spectrum    1 weight  0.10000E+01 volume  0.14228E-02 ppm1      8.623 ppm2      2.386 CV     1
 ASSI { 2076}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HB2 ))
      3.800     1.800     1.800 peak  2076 spectrum    1 weight  0.10000E+01 volume  0.12703E-02 ppm1      8.625 ppm2      1.932 CV     1
 OR { 2076}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HG2 ))
 ASSI { 2080}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 63   and name HG2%)
      5.300     3.500     0.700 peak  2080 spectrum    1 weight  0.10000E+01 volume  0.28144E-03 ppm1      8.624 ppm2      0.898 CV     1
 ASSI { 2081}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 63   and name HG1%)
      5.900     4.400     0.100 peak  2081 spectrum    1 weight  0.10000E+01 volume  0.15380E-03 ppm1      8.625 ppm2      0.816 CV     1
 ASSI { 2082}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      5.900     4.300     0.100 peak  2082 spectrum    1 weight  0.10000E+01 volume  0.83042E-04 ppm1      8.626 ppm2      0.337 CV     1
 ASSI { 2086}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      2.500     0.800     0.800 peak  2086 spectrum    1 weight  0.10000E+01 volume  0.34404E-02 ppm1      8.672 ppm2      2.486 CV     1
 ASSI { 2088}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 59   and name HB2 ))
      3.000     1.100     1.100 peak  2088 spectrum    1 weight  0.10000E+01 volume  0.14237E-02 ppm1      8.673 ppm2      1.934 CV     1
 OR { 2088}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 59   and name HG2 ))
 ASSI { 2095}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      6.000     4.700     0.000 peak  2095 spectrum    1 weight  0.10000E+01 volume  0.80777E-04 ppm1      8.676 ppm2      0.342 CV     1
 ASSI { 2097}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      6.000     5.400     0.000 peak  2097 spectrum    1 weight  0.10000E+01 volume  0.84349E-04 ppm1      8.674 ppm2      4.674 CV     1
 ASSI { 2099}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      4.400     2.400     1.600 peak  2099 spectrum    1 weight  0.10000E+01 volume  0.40276E-03 ppm1      8.670 ppm2      4.408 CV     1
 ASSI { 2100}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      2.800     1.000     1.000 peak  2100 spectrum    1 weight  0.10000E+01 volume  0.25843E-02 ppm1      8.673 ppm2      4.320 CV     1
 ASSI { 2101}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      2.900     1.000     1.000 peak  2101 spectrum    1 weight  0.10000E+01 volume  0.19048E-02 ppm1      8.677 ppm2      4.200 CV     1
 ASSI { 2107}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      4.300     2.300     1.700 peak  2107 spectrum    1 weight  0.10000E+01 volume  0.57924E-03 ppm1      8.670 ppm2      7.597 CV     1
 ASSI { 2108}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      2.500     0.800     0.800 peak  2108 spectrum    1 weight  0.10000E+01 volume  0.23698E-02 ppm1      8.671 ppm2      7.514 CV     1
 ASSI { 2119}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 65   and name HD22))
      4.200     2.300     1.800 peak  2119 spectrum    1 weight  0.10000E+01 volume  0.15171E-02 ppm1      7.578 ppm2      7.754 CV     1
 ASSI { 2126}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      2.300     0.700     0.700 peak  2126 spectrum    1 weight  0.10000E+01 volume  0.30635E-02 ppm1      7.579 ppm2      7.170 CV     1
 ASSI { 2128}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      3.800     1.800     1.800 peak  2128 spectrum    1 weight  0.10000E+01 volume  0.52909E-03 ppm1      7.580 ppm2      4.671 CV     1
 ASSI { 2131}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      4.100     2.100     1.900 peak  2131 spectrum    1 weight  0.10000E+01 volume  0.40853E-03 ppm1      7.579 ppm2      4.318 CV     1
 ASSI { 2136}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 59   and name HD2 ))
      4.800     2.900     1.200 peak  2136 spectrum    1 weight  0.10000E+01 volume  0.18395E-03 ppm1      7.582 ppm2      3.798 CV     1
 ASSI { 2137}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 61   and name HB1 ))
      5.600     3.900     0.400 peak  2137 spectrum    1 weight  0.10000E+01 volume  0.25669E-03 ppm1      7.579 ppm2      2.632 CV     1
 ASSI { 2138}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      5.500     3.800     0.500 peak  2138 spectrum    1 weight  0.10000E+01 volume  0.24784E-03 ppm1      7.574 ppm2      2.508 CV     1
 ASSI { 2139}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HB1 ))
      3.300     1.300     1.300 peak  2139 spectrum    1 weight  0.10000E+01 volume  0.20840E-02 ppm1      7.579 ppm2      2.420 CV     1
 OR { 2139}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
 ASSI { 2144}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HB  ))
      2.100     0.500     0.500 peak  2144 spectrum    1 weight  0.10000E+01 volume  0.57266E-02 ppm1      7.580 ppm2      2.022 CV     1
 ASSI { 2145}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 59   and name HB2 ))
      4.700     2.700     1.300 peak  2145 spectrum    1 weight  0.10000E+01 volume  0.40184E-03 ppm1      7.580 ppm2      1.928 CV     1
 ASSI { 2150}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HG1 ))
      4.800     2.900     1.200 peak  2150 spectrum    1 weight  0.10000E+01 volume  0.29735E-03 ppm1      7.582 ppm2      1.396 CV     1
 OR { 2150}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HG2 ))
 ASSI { 2160}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 66   and name HD1%)
      5.200     3.300     0.800 peak  2160 spectrum    1 weight  0.10000E+01 volume  0.28066E-03 ppm1      7.577 ppm2      0.426 CV     1
 ASSI { 2161}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      3.200     1.300     1.300 peak  2161 spectrum    1 weight  0.10000E+01 volume  0.13189E-02 ppm1      7.579 ppm2      0.339 CV     1
 ASSI { 2163}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 66   and name HD1%)
      5.500     3.800     0.500 peak  2163 spectrum    1 weight  0.10000E+01 volume  0.16619E-03 ppm1      7.171 ppm2      0.399 CV     1
 ASSI { 2164}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      5.000     3.100     1.000 peak  2164 spectrum    1 weight  0.10000E+01 volume  0.21830E-03 ppm1      7.175 ppm2      0.337 CV     1
 ASSI { 2165}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 63   and name HG2%)
      3.700     1.700     1.700 peak  2165 spectrum    1 weight  0.10000E+01 volume  0.10334E-02 ppm1      7.173 ppm2      0.906 CV     1
 ASSI { 2167}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HG1 ))
      2.200     0.600     0.600 peak  2167 spectrum    1 weight  0.10000E+01 volume  0.43971E-02 ppm1      7.174 ppm2      1.396 CV     1
 OR { 2167}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HG2 ))
 ASSI { 2168}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HB1 ))
      2.500     0.800     0.800 peak  2168 spectrum    1 weight  0.10000E+01 volume  0.40636E-02 ppm1      7.173 ppm2      1.773 CV     1
 OR { 2168}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
 ASSI { 2169}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HD2 ))
      4.800     2.800     1.200 peak  2169 spectrum    1 weight  0.10000E+01 volume  0.91470E-03 ppm1      7.174 ppm2      1.670 CV     1
 OR { 2169}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HD1 ))
 ASSI { 2170}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HB  ))
      3.100     1.200     1.200 peak  2170 spectrum    1 weight  0.10000E+01 volume  0.23419E-02 ppm1      7.173 ppm2      2.020 CV     1
 ASSI { 2171}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 40   and name H43B))
      5.800     4.300     0.200 peak  2171 spectrum    1 weight  0.10000E+01 volume  0.95622E-04 ppm1      7.181 ppm2      2.801 CV     1
 OR { 2171}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 40   and name H43A))
 ASSI { 2172}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 65   and name HB2 ))
      5.400     3.700     0.600 peak  2172 spectrum    1 weight  0.10000E+01 volume  0.24224E-03 ppm1      7.174 ppm2      2.729 CV     1
 ASSI { 2177}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 40   and name H37B))
      5.100     3.300     0.900 peak  2177 spectrum    1 weight  0.10000E+01 volume  0.10083E-03 ppm1      7.173 ppm2      3.469 CV     1
 OR { 2177}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 40   and name H37A))
 ASSI { 2181}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      4.500     2.600     1.500 peak  2181 spectrum    1 weight  0.10000E+01 volume  0.19664E-03 ppm1      7.173 ppm2      4.668 CV     1
 ASSI { 2190}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 67   and name HN  ))
      5.400     3.600     0.600 peak  2190 spectrum    1 weight  0.10000E+01 volume  0.15435E-03 ppm1      7.174 ppm2      8.234 CV     1
 ASSI { 2197}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 65   and name HN  ))
      2.300     0.700     0.700 peak  2197 spectrum    1 weight  0.10000E+01 volume  0.41977E-02 ppm1      7.174 ppm2      7.267 CV     1
 ASSI { 2198}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      4.100     2.100     1.900 peak  2198 spectrum    1 weight  0.10000E+01 volume  0.10065E-03 ppm1      7.181 ppm2      8.694 CV     1
 ASSI { 2202}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 67   and name HN  ))
      5.300     3.500     0.700 peak  2202 spectrum    1 weight  0.10000E+01 volume  0.15113E-03 ppm1      7.268 ppm2      8.215 CV     1
 ASSI { 2206}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      4.300     2.300     1.700 peak  2206 spectrum    1 weight  0.10000E+01 volume  0.44571E-03 ppm1      7.267 ppm2      7.616 CV     1
 ASSI { 2217}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      3.100     1.200     1.200 peak  2217 spectrum    1 weight  0.10000E+01 volume  0.14214E-02 ppm1      7.267 ppm2      3.974 CV     1
 ASSI { 2220}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      4.800     2.800     1.200 peak  2220 spectrum    1 weight  0.10000E+01 volume  0.31393E-03 ppm1      7.267 ppm2      4.670 CV     1
 ASSI { 2223}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      3.400     1.400     1.400 peak  2223 spectrum    1 weight  0.10000E+01 volume  0.74044E-03 ppm1      7.266 ppm2      3.212 CV     1
 ASSI { 2225}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HB2 ))
      2.400     0.700     0.700 peak  2225 spectrum    1 weight  0.10000E+01 volume  0.39789E-02 ppm1      7.267 ppm2      2.738 CV     1
 ASSI { 2226}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 66   and name HB1 ))
      5.000     3.100     1.000 peak  2226 spectrum    1 weight  0.10000E+01 volume  0.41576E-03 ppm1      7.268 ppm2      2.166 CV     1
 ASSI { 2229}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
      5.000     3.200     1.000 peak  2229 spectrum    1 weight  0.10000E+01 volume  0.27199E-03 ppm1      7.268 ppm2      2.406 CV     1
 OR { 2229}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 62   and name HB1 ))
 ASSI { 2231}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HD2 ))
      5.200     3.400     0.800 peak  2231 spectrum    1 weight  0.10000E+01 volume  0.40932E-03 ppm1      7.268 ppm2      1.666 CV     1
 OR { 2231}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HD1 ))
 ASSI { 2233}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HG2 ))
      2.700     0.900     0.900 peak  2233 spectrum    1 weight  0.10000E+01 volume  0.12280E-02 ppm1      7.267 ppm2      1.395 CV     1
 OR { 2233}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HG1 ))
 ASSI { 2234}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 66   and name HB2 ))
      4.900     3.000     1.100 peak  2234 spectrum    1 weight  0.10000E+01 volume  0.20869E-03 ppm1      7.268 ppm2      0.993 CV     1
 ASSI { 2241}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      6.000     6.000     0.000 peak  2241 spectrum    1 weight  0.10000E+01 volume  0.94480E-04 ppm1      7.717 ppm2      4.087 CV     1
 ASSI { 2242}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      3.200     1.300     1.300 peak  2242 spectrum    1 weight  0.10000E+01 volume  0.82700E-03 ppm1      7.716 ppm2      3.972 CV     1
 ASSI { 2244}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      3.200     1.300     1.300 peak  2244 spectrum    1 weight  0.10000E+01 volume  0.13904E-02 ppm1      7.716 ppm2      3.206 CV     1
 ASSI { 2246}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 71   and name HB2 ))
      6.000     5.000     0.000 peak  2246 spectrum    1 weight  0.10000E+01 volume  0.21672E-03 ppm1      7.714 ppm2      2.928 CV     1
 ASSI { 2247}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HB2 ))
      3.600     1.600     1.600 peak  2247 spectrum    1 weight  0.10000E+01 volume  0.79109E-03 ppm1      7.716 ppm2      2.735 CV     1
 ASSI { 2249}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 40   and name H38B))
      3.600     3.600     2.400 peak  2249 spectrum    1 weight  0.10000E+01 volume  0.22028E-03 ppm1      7.712 ppm2      2.467 CV     1
 OR { 2249}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 40   and name H38A))
 ASSI { 2251}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 40   and name H2B ))
      4.000     2.000     2.000 peak  2251 spectrum    1 weight  0.10000E+01 volume  0.44577E-03 ppm1      7.715 ppm2      2.252 CV     1
 OR { 2251}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 40   and name H2A ))
 ASSI { 2252}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HB1 ))
      3.000     1.100     1.100 peak  2252 spectrum    1 weight  0.10000E+01 volume  0.39880E-02 ppm1      7.716 ppm2      2.160 CV     1
 ASSI { 2259}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 67   and name HG2 ))
      5.100     3.200     0.900 peak  2259 spectrum    1 weight  0.10000E+01 volume  0.22503E-03 ppm1      7.716 ppm2      1.458 CV     1
 ASSI { 2260}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 64   and name HG2 ))
      5.300     3.500     0.700 peak  2260 spectrum    1 weight  0.10000E+01 volume  0.19992E-03 ppm1      7.717 ppm2      1.392 CV     1
 OR { 2260}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 64   and name HG1 ))
 ASSI { 2268}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 66   and name HD2%)
      3.500     1.600     1.600 peak  2268 spectrum    1 weight  0.10000E+01 volume  0.18884E-02 ppm1      7.716 ppm2      0.599 CV     1
 ASSI { 2273}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HN  ))
      2.300     0.600     0.600 peak  2273 spectrum    1 weight  0.10000E+01 volume  0.45446E-02 ppm1      7.716 ppm2      7.267 CV     1
 ASSI { 2274}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      3.500     1.500     1.500 peak  2274 spectrum    1 weight  0.10000E+01 volume  0.99285E-03 ppm1      7.716 ppm2      7.170 CV     1
 ASSI { 2276}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HD21))
      4.600     2.700     1.400 peak  2276 spectrum    1 weight  0.10000E+01 volume  0.46943E-03 ppm1      7.714 ppm2      7.003 CV     1
 ASSI { 2281}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      3.500     1.500     1.500 peak  2281 spectrum    1 weight  0.10000E+01 volume  0.87162E-03 ppm1      7.716 ppm2      4.880 CV     1
 ASSI { 2282}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      4.100     2.100     1.900 peak  2282 spectrum    1 weight  0.10000E+01 volume  0.95873E-04 ppm1      7.719 ppm2      4.659 CV     1
 ASSI { 2295}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
      2.500     0.800     0.800 peak  2295 spectrum    1 weight  0.10000E+01 volume  0.50159E-02 ppm1      8.209 ppm2      8.599 CV     1
 ASSI { 2302}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HN  ))
      3.200     1.200     1.200 peak  2302 spectrum    1 weight  0.10000E+01 volume  0.92315E-03 ppm1      8.210 ppm2      7.733 CV     1
 ASSI { 2308}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      5.400     3.600     0.600 peak  2308 spectrum    1 weight  0.10000E+01 volume  0.13192E-03 ppm1      8.210 ppm2      5.245 CV     1
 ASSI { 2313}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 71   and name HB2 ))
      3.800     1.800     1.800 peak  2313 spectrum    1 weight  0.10000E+01 volume  0.17263E-02 ppm1      8.209 ppm2      2.923 CV     1
 ASSI { 2314}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 40   and name H43B))
      5.300     3.500     0.700 peak  2314 spectrum    1 weight  0.10000E+01 volume  0.98395E-04 ppm1      8.206 ppm2      2.820 CV     1
 OR { 2314}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 40   and name H43A))
 ASSI { 2317}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HB1 ))
      4.000     2.000     2.000 peak  2317 spectrum    1 weight  0.10000E+01 volume  0.64730E-03 ppm1      8.210 ppm2      2.161 CV     1
 ASSI { 2318}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HB1 ))
      2.600     0.900     0.900 peak  2318 spectrum    1 weight  0.10000E+01 volume  0.59664E-02 ppm1      8.209 ppm2      2.057 CV     1
 OR { 2318}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
 ASSI { 2323}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HG1 ))
      3.600     1.600     1.600 peak  2323 spectrum    1 weight  0.10000E+01 volume  0.13809E-02 ppm1      8.210 ppm2      1.567 CV     1
 ASSI { 2325}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 68   and name HG2%)
      4.100     2.100     1.900 peak  2325 spectrum    1 weight  0.10000E+01 volume  0.97367E-03 ppm1      8.213 ppm2      1.060 CV     1
 ASSI { 2331}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 66   and name HD1%)
      5.700     4.000     0.300 peak  2331 spectrum    1 weight  0.10000E+01 volume  0.20619E-03 ppm1      8.208 ppm2      0.417 CV     1
 ASSI { 2333}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
      3.000     1.100     1.100 peak  2333 spectrum    1 weight  0.10000E+01 volume  0.30230E-02 ppm1      8.598 ppm2      2.057 CV     1
 OR { 2333}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HB1 ))
 ASSI { 2338}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 68   and name HG2%)
      2.900     1.100     1.100 peak  2338 spectrum    1 weight  0.10000E+01 volume  0.28301E-02 ppm1      8.598 ppm2      1.057 CV     1
 ASSI { 2342}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 71   and name HB2 ))
      2.800     1.000     1.000 peak  2342 spectrum    1 weight  0.10000E+01 volume  0.19731E-02 ppm1      8.597 ppm2      2.924 CV     1
 ASSI { 2343}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
      2.600     0.900     0.900 peak  2343 spectrum    1 weight  0.10000E+01 volume  0.33877E-02 ppm1      8.598 ppm2      3.116 CV     1
 ASSI { 2345}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      5.100     3.200     0.900 peak  2345 spectrum    1 weight  0.10000E+01 volume  0.29348E-03 ppm1      8.598 ppm2      4.908 CV     1
 ASSI { 2351}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 32   and name HD% )
      4.500     2.600     1.500 peak  2351 spectrum    1 weight  0.10000E+01 volume  0.18276E-03 ppm1      8.596 ppm2      7.195 CV     1
 ASSI { 2352}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 32   and name HE% )
      4.800     2.900     1.200 peak  2352 spectrum    1 weight  0.10000E+01 volume  0.23603E-03 ppm1      8.600 ppm2      6.994 CV     1
 ASSI { 2354}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 71   and name HN  ))
      4.100     2.100     1.900 peak  2354 spectrum    1 weight  0.10000E+01 volume  0.92146E-03 ppm1      8.597 ppm2      8.358 CV     1
 ASSI { 2357}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 69   and name HN  ))
      4.400     2.400     1.600 peak  2357 spectrum    1 weight  0.10000E+01 volume  0.38913E-03 ppm1      8.599 ppm2      8.115 CV     1
 ASSI { 2359}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 66   and name HN  ))
      5.400     3.600     0.600 peak  2359 spectrum    1 weight  0.10000E+01 volume  0.16057E-03 ppm1      8.598 ppm2      7.730 CV     1
 ASSI { 2363}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      4.900     3.000     1.100 peak  2363 spectrum    1 weight  0.10000E+01 volume  0.14920E-03 ppm1      8.137 ppm2      8.650 CV     1
 ASSI { 2366}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 71   and name HN  ))
      3.200     1.300     1.300 peak  2366 spectrum    1 weight  0.10000E+01 volume  0.14804E-02 ppm1      8.141 ppm2      8.316 CV     1
 ASSI { 2367}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      3.100     1.200     1.200 peak  2367 spectrum    1 weight  0.10000E+01 volume  0.18265E-02 ppm1      8.141 ppm2      8.238 CV     1
 ASSI { 2369}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 70   and name HN  ))
      2.600     0.900     0.900 peak  2369 spectrum    1 weight  0.10000E+01 volume  0.19608E-02 ppm1      8.139 ppm2      9.410 CV     1
 ASSI { 2370}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      3.600     1.600     1.600 peak  2370 spectrum    1 weight  0.10000E+01 volume  0.50949E-03 ppm1      8.137 ppm2      7.501 CV     1
 ASSI { 2372}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 32   and name HD% )
      4.100     2.100     1.900 peak  2372 spectrum    1 weight  0.10000E+01 volume  0.24905E-03 ppm1      8.137 ppm2      7.188 CV     1
 ASSI { 2375}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 32   and name HE% )
      5.200     3.400     0.800 peak  2375 spectrum    1 weight  0.10000E+01 volume  0.16885E-03 ppm1      8.140 ppm2      6.989 CV     1
 ASSI { 2376}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 32   and name HZ  ))
      6.000     4.900     0.000 peak  2376 spectrum    1 weight  0.10000E+01 volume  0.17429E-03 ppm1      8.133 ppm2      6.840 CV     1
 ASSI { 2384}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 70   and name HA1 ))
      5.200     3.400     0.800 peak  2384 spectrum    1 weight  0.10000E+01 volume  0.26654E-03 ppm1      8.139 ppm2      4.024 CV     1
 ASSI { 2388}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 71   and name HB2 ))
      5.900     4.400     0.100 peak  2388 spectrum    1 weight  0.10000E+01 volume  0.80297E-04 ppm1      8.136 ppm2      2.903 CV     1
 ASSI { 2389}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HB  ))
      2.300     0.700     0.700 peak  2389 spectrum    1 weight  0.10000E+01 volume  0.41365E-02 ppm1      8.139 ppm2      2.275 CV     1
 ASSI { 2390}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      4.300     2.300     1.700 peak  2390 spectrum    1 weight  0.10000E+01 volume  0.41902E-03 ppm1      8.140 ppm2      2.043 CV     1
 ASSI { 2392}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 68   and name HG2%)
      3.800     1.800     1.800 peak  2392 spectrum    1 weight  0.10000E+01 volume  0.15865E-02 ppm1      8.137 ppm2      1.060 CV     1
 ASSI { 2395}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 69   and name HG2%)
      2.700     0.900     0.900 peak  2395 spectrum    1 weight  0.10000E+01 volume  0.14336E-02 ppm1      8.139 ppm2      0.641 CV     1
 ASSI { 2406}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 28   and name HB1 ))
      4.900     3.000     1.100 peak  2406 spectrum    1 weight  0.10000E+01 volume  0.48514E-03 ppm1      9.413 ppm2      1.749 CV     1
 OR { 2406}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 28   and name HG  ))
 ASSI { 2412}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HA1 ))
      2.100     0.500     0.500 peak  2412 spectrum    1 weight  0.10000E+01 volume  0.54247E-02 ppm1      9.410 ppm2      4.013 CV     1
 ASSI { 2420}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
      5.500     3.700     0.500 peak  2420 spectrum    1 weight  0.10000E+01 volume  0.18814E-03 ppm1      9.415 ppm2      3.119 CV     1
 ASSI { 2421}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 71   and name HB2 ))
      6.000     4.400     0.000 peak  2421 spectrum    1 weight  0.10000E+01 volume  0.86094E-04 ppm1      9.414 ppm2      2.922 CV     1
 ASSI { 2425}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 73   and name HB  ))
      5.000     3.100     1.000 peak  2425 spectrum    1 weight  0.10000E+01 volume  0.47674E-03 ppm1      9.411 ppm2      4.180 CV     1
 ASSI { 2431}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      4.400     2.400     1.600 peak  2431 spectrum    1 weight  0.10000E+01 volume  0.30743E-03 ppm1      9.410 ppm2      8.663 CV     1
 ASSI { 2432}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
      5.400     3.700     0.600 peak  2432 spectrum    1 weight  0.10000E+01 volume  0.15540E-03 ppm1      9.408 ppm2      8.588 CV     1
 ASSI { 2433}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      5.000     3.100     1.000 peak  2433 spectrum    1 weight  0.10000E+01 volume  0.30686E-03 ppm1      9.413 ppm2      8.442 CV     1
 ASSI { 2437}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
      5.200     3.400     0.800 peak  2437 spectrum    1 weight  0.10000E+01 volume  0.19304E-03 ppm1      9.407 ppm2      8.030 CV     1
 ASSI { 2444}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      4.700     2.800     1.300 peak  2444 spectrum    1 weight  0.10000E+01 volume  0.21413E-03 ppm1      8.340 ppm2      5.253 CV     1
 ASSI { 2449}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      5.400     3.700     0.600 peak  2449 spectrum    1 weight  0.10000E+01 volume  0.22743E-03 ppm1      8.342 ppm2      3.574 CV     1
 ASSI { 2450}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
      2.900     1.100     1.100 peak  2450 spectrum    1 weight  0.10000E+01 volume  0.31225E-02 ppm1      8.342 ppm2      3.117 CV     1
 ASSI { 2451}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 74   and name HE2 ))
      4.900     2.900     1.100 peak  2451 spectrum    1 weight  0.10000E+01 volume  0.16761E-03 ppm1      8.340 ppm2      3.019 CV     1
 OR { 2451}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 74   and name HE1 ))
 ASSI { 2452}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HB2 ))
      2.500     0.800     0.800 peak  2452 spectrum    1 weight  0.10000E+01 volume  0.19832E-02 ppm1      8.341 ppm2      2.924 CV     1
 ASSI { 2453}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 73   and name HB  ))
      5.000     3.100     1.000 peak  2453 spectrum    1 weight  0.10000E+01 volume  0.27538E-03 ppm1      8.343 ppm2      4.189 CV     1
 ASSI { 2455}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HA1 ))
      2.700     0.900     0.900 peak  2455 spectrum    1 weight  0.10000E+01 volume  0.19419E-02 ppm1      8.344 ppm2      4.011 CV     1
 ASSI { 2456}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 69   and name HB  ))
      5.200     3.400     0.800 peak  2456 spectrum    1 weight  0.10000E+01 volume  0.23847E-03 ppm1      8.342 ppm2      2.266 CV     1
 ASSI { 2459}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 74   and name HB1 ))
      5.400     3.700     0.600 peak  2459 spectrum    1 weight  0.10000E+01 volume  0.13644E-03 ppm1      8.342 ppm2      1.955 CV     1
 OR { 2459}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 74   and name HB2 ))
 ASSI { 2465}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 28   and name HD1%)
      5.000     3.100     1.000 peak  2465 spectrum    1 weight  0.10000E+01 volume  0.29646E-03 ppm1      8.339 ppm2      0.798 CV     1
 ASSI { 2468}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 72   and name HB% )
      4.500     2.500     1.500 peak  2468 spectrum    1 weight  0.10000E+01 volume  0.58166E-03 ppm1      8.342 ppm2      1.585 CV     1
 ASSI { 2470}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 32   and name HD% )
      3.600     3.600     2.400 peak  2470 spectrum    1 weight  0.10000E+01 volume  0.20061E-03 ppm1      8.339 ppm2      7.200 CV     1
 ASSI { 2474}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HN  ))
      2.600     0.800     0.800 peak  2474 spectrum    1 weight  0.10000E+01 volume  0.21135E-02 ppm1      8.342 ppm2      9.411 CV     1
 ASSI { 2479}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
      2.500     0.800     0.800 peak  2479 spectrum    1 weight  0.10000E+01 volume  0.30961E-02 ppm1      8.643 ppm2      8.040 CV     1
 ASSI { 2490}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 70   and name HA1 ))
      4.500     2.600     1.500 peak  2490 spectrum    1 weight  0.10000E+01 volume  0.53512E-03 ppm1      8.643 ppm2      4.002 CV     1
 ASSI { 2500}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 72   and name HB% )
      2.600     0.800     0.800 peak  2500 spectrum    1 weight  0.10000E+01 volume  0.32003E-02 ppm1      8.643 ppm2      1.587 CV     1
 ASSI { 2508}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 8    and name HG2%)
      4.800     2.900     1.200 peak  2508 spectrum    1 weight  0.10000E+01 volume  0.28721E-03 ppm1      8.640 ppm2      1.034 CV     1
 ASSI { 2523}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HB1 ))
      2.500     0.800     0.800 peak  2523 spectrum    1 weight  0.10000E+01 volume  0.55270E-02 ppm1      8.041 ppm2      1.974 CV     1
 ASSI { 2528}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HG2 ))
      4.300     2.300     1.700 peak  2528 spectrum    1 weight  0.10000E+01 volume  0.96778E-03 ppm1      8.039 ppm2      1.470 CV     1
 OR { 2528}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HG1 ))
 ASSI { 2529}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 75   and name HB1 ))
      4.900     3.000     1.100 peak  2529 spectrum    1 weight  0.10000E+01 volume  0.40170E-03 ppm1      8.042 ppm2      3.109 CV     1
 OR { 2529}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
 ASSI { 2555}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 72   and name HN  ))
      3.200     1.300     1.300 peak  2555 spectrum    1 weight  0.10000E+01 volume  0.18107E-02 ppm1      8.041 ppm2      8.149 CV     1
 ASSI { 2556}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      2.400     0.700     0.700 peak  2556 spectrum    1 weight  0.10000E+01 volume  0.34465E-02 ppm1      7.944 ppm2      8.510 CV     1
 ASSI { 2561}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      5.200     3.300     0.800 peak  2561 spectrum    1 weight  0.10000E+01 volume  0.28647E-03 ppm1      7.943 ppm2      3.502 CV     1
 ASSI { 2562}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      4.100     2.100     1.900 peak  2562 spectrum    1 weight  0.10000E+01 volume  0.38821E-03 ppm1      7.944 ppm2      3.669 CV     1
 ASSI { 2566}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HB2 ))
      3.400     1.500     1.500 peak  2566 spectrum    1 weight  0.10000E+01 volume  0.18705E-02 ppm1      7.945 ppm2      1.909 CV     1
 ASSI { 2567}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 76   and name HD1%)
      4.000     2.000     2.000 peak  2567 spectrum    1 weight  0.10000E+01 volume  0.14194E-02 ppm1      7.947 ppm2      0.608 CV     1
 ASSI { 2568}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
      5.500     3.800     0.500 peak  2568 spectrum    1 weight  0.10000E+01 volume  0.33439E-03 ppm1      7.943 ppm2      0.523 CV     1
 ASSI { 2569}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 66   and name HD1%)
      4.900     3.000     1.100 peak  2569 spectrum    1 weight  0.10000E+01 volume  0.38509E-03 ppm1      7.943 ppm2      0.414 CV     1
 ASSI { 2593}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 66   and name HD1%)
      4.700     2.800     1.300 peak  2593 spectrum    1 weight  0.10000E+01 volume  0.25687E-03 ppm1      8.503 ppm2      0.431 CV     1
 ASSI { 2594}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      5.800     4.200     0.200 peak  2594 spectrum    1 weight  0.10000E+01 volume  0.15175E-03 ppm1      8.506 ppm2      0.348 CV     1
 ASSI { 2602}
   (( segid "    " and resid 65   and name HD21))
   (( segid "    " and resid 65   and name HD22))
      1.600     0.300     0.600 peak  2602 spectrum    1 weight  0.10000E+01 volume  0.15726E-01 ppm1      7.004 ppm2      7.743 CV     1
 ASSI { 2604}
   (( segid "    " and resid 65   and name HD21))
   (( segid "    " and resid 63   and name HN  ))
      4.100     2.100     1.900 peak  2604 spectrum    1 weight  0.10000E+01 volume  0.50191E-03 ppm1      6.999 ppm2      7.570 CV     1
 ASSI { 2605}
   (( segid "    " and resid 65   and name HD21))
   (( segid "    " and resid 62   and name HN  ))
      3.800     1.800     1.800 peak  2605 spectrum    1 weight  0.10000E+01 volume  0.15285E-03 ppm1      7.002 ppm2      7.481 CV     1
 ASSI { 2606}
   (( segid "    " and resid 65   and name HD21))
   (( segid "    " and resid 65   and name HN  ))
      2.900     1.000     1.000 peak  2606 spectrum    1 weight  0.10000E+01 volume  0.65534E-03 ppm1      7.004 ppm2      7.265 CV     1
 ASSI { 2607}
   (( segid "    " and resid 65   and name HD21))
   (( segid "    " and resid 64   and name HN  ))
      4.100     2.100     1.900 peak  2607 spectrum    1 weight  0.10000E+01 volume  0.60596E-03 ppm1      6.997 ppm2      7.165 CV     1
 ASSI { 2625}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
      3.600     1.600     1.600 peak  2625 spectrum    1 weight  0.10000E+01 volume  0.94211E-03 ppm1      7.721 ppm2      4.095 CV     1
 ASSI { 2630}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      3.000     1.100     1.100 peak  2630 spectrum    1 weight  0.10000E+01 volume  0.20722E-02 ppm1      7.714 ppm2      4.627 CV     1
 ASSI { 2633}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      3.800     1.800     1.800 peak  2633 spectrum    1 weight  0.10000E+01 volume  0.19215E-02 ppm1      7.714 ppm2      4.388 CV     1
 ASSI { 2634}
   (( segid "    " and resid 65   and name HD21))
   (( segid "    " and resid 65   and name HA  ))
      5.800     4.200     0.200 peak  2634 spectrum    1 weight  0.10000E+01 volume  0.11648E-03 ppm1      7.004 ppm2      4.878 CV     1
 ASSI { 2636}
   (( segid "    " and resid 65   and name HD21))
   (( segid "    " and resid 62   and name HA  ))
      3.800     1.800     1.800 peak  2636 spectrum    1 weight  0.10000E+01 volume  0.23829E-03 ppm1      7.006 ppm2      4.676 CV     1
 ASSI { 2638}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      5.000     3.100     1.000 peak  2638 spectrum    1 weight  0.10000E+01 volume  0.19629E-03 ppm1      7.723 ppm2      3.154 CV     1
 OR { 2638}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
 ASSI { 2639}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HB1 ))
      3.000     1.100     1.100 peak  2639 spectrum    1 weight  0.10000E+01 volume  0.37372E-02 ppm1      7.729 ppm2      3.050 CV     1
 ASSI { 2640}
   (( segid "    " and resid 65   and name HD22))
   (( segid "    " and resid 64   and name HE1 ))
      4.700     2.800     1.300 peak  2640 spectrum    1 weight  0.10000E+01 volume  0.22854E-03 ppm1      7.731 ppm2      2.968 CV     1
 ASSI { 2642}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
      2.200     0.600     0.600 peak  2642 spectrum    1 weight  0.10000E+01 volume  0.44001E-02 ppm1      7.736 ppm2      2.732 CV     1
 ASSI { 2645}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
      2.400     0.700     0.700 peak  2645 spectrum    1 weight  0.10000E+01 volume  0.38940E-02 ppm1      7.711 ppm2      2.518 CV     1
 ASSI { 2646}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 80   and name HB1 ))
      5.200     3.300     0.800 peak  2646 spectrum    1 weight  0.10000E+01 volume  0.57444E-03 ppm1      7.713 ppm2      2.325 CV     1
 ASSI { 2651}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      3.300     1.300     1.300 peak  2651 spectrum    1 weight  0.10000E+01 volume  0.10662E-02 ppm1      7.711 ppm2      3.501 CV     1
 ASSI { 2652}
   (( segid "    " and resid 65   and name HD21))
   (( segid "    " and resid 65   and name HB1 ))
      4.200     2.200     1.800 peak  2652 spectrum    1 weight  0.10000E+01 volume  0.72687E-03 ppm1      7.001 ppm2      3.056 CV     1
 ASSI { 2653}
   (( segid "    " and resid 65   and name HD21))
   (( segid "    " and resid 65   and name HB2 ))
      2.600     0.900     0.900 peak  2653 spectrum    1 weight  0.10000E+01 volume  0.14958E-02 ppm1      7.004 ppm2      2.740 CV     1
 ASSI { 2655}
   (( segid "    " and resid 65   and name HD21))
   (( segid "    " and resid 62   and name HB2 ))
      5.200     3.300     0.800 peak  2655 spectrum    1 weight  0.10000E+01 volume  0.13068E-03 ppm1      6.999 ppm2      2.415 CV     1
 OR { 2655}
   (( segid "    " and resid 65   and name HD21))
   (( segid "    " and resid 62   and name HB1 ))
 ASSI { 2661}
   (( segid "    " and resid 65   and name HD21))
   (( segid "    " and resid 64   and name HG2 ))
      4.200     2.200     1.800 peak  2661 spectrum    1 weight  0.10000E+01 volume  0.21332E-03 ppm1      7.004 ppm2      1.399 CV     1
 OR { 2661}
   (( segid "    " and resid 65   and name HD21))
   (( segid "    " and resid 64   and name HG1 ))
 ASSI { 2666}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 36   and name HG  ))
      4.300     2.300     1.700 peak  2666 spectrum    1 weight  0.10000E+01 volume  0.77077E-03 ppm1      7.725 ppm2      1.479 CV     1
 ASSI { 2667}
   (( segid "    " and resid 65   and name HD22))
   (( segid "    " and resid 64   and name HG2 ))
      3.800     1.800     1.800 peak  2667 spectrum    1 weight  0.10000E+01 volume  0.47414E-03 ppm1      7.731 ppm2      1.407 CV     1
 OR { 2667}
   (( segid "    " and resid 65   and name HD22))
   (( segid "    " and resid 64   and name HG1 ))
 ASSI { 2670}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
      4.600     2.700     1.400 peak  2670 spectrum    1 weight  0.10000E+01 volume  0.71271E-03 ppm1      7.711 ppm2      0.945 CV     1
 OR { 2670}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 38   and name HG1%)
 ASSI { 2672}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
      4.700     2.700     1.300 peak  2672 spectrum    1 weight  0.10000E+01 volume  0.23111E-03 ppm1      7.713 ppm2      0.828 CV     1
 OR { 2672}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
 ASSI { 2673}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 36   and name HD2%)
      5.600     4.000     0.400 peak  2673 spectrum    1 weight  0.10000E+01 volume  0.29812E-03 ppm1      7.724 ppm2      0.781 CV     1
 ASSI { 2674}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 36   and name HD1%)
      5.600     3.900     0.400 peak  2674 spectrum    1 weight  0.10000E+01 volume  0.31236E-03 ppm1      7.719 ppm2      0.611 CV     1
 ASSI { 2675}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
      4.400     2.400     1.600 peak  2675 spectrum    1 weight  0.10000E+01 volume  0.44702E-03 ppm1      7.710 ppm2      0.531 CV     1
 ASSI { 2678}
   (( segid "    " and resid 16   and name HD21))
   (( segid "    " and resid 16   and name HD22))
      1.600     0.300     0.600 peak  2678 spectrum    1 weight  0.10000E+01 volume  0.15002E-01 ppm1      6.853 ppm2      8.065 CV     1
 ASSI { 2684}
   (( segid "    " and resid 16   and name HD22))
   (( segid "    " and resid 21   and name HN  ))
      4.800     2.900     1.200 peak  2684 spectrum    1 weight  0.10000E+01 volume  0.45558E-03 ppm1      8.069 ppm2      6.453 CV     1
 ASSI { 2685}
   (( segid "    " and resid 16   and name HD22))
   (( segid "    " and resid 24   and name HN  ))
      5.100     3.300     0.900 peak  2685 spectrum    1 weight  0.10000E+01 volume  0.99870E-04 ppm1      8.065 ppm2      9.249 CV     1
 ASSI { 2686}
   (( segid "    " and resid 16   and name HD22))
   (( segid "    " and resid 15   and name HN  ))
      5.500     3.700     0.500 peak  2686 spectrum    1 weight  0.10000E+01 volume  0.15304E-03 ppm1      8.070 ppm2      8.801 CV     1
 ASSI { 2691}
   (( segid "    " and resid 16   and name HD21))
   (( segid "    " and resid 24   and name HN  ))
      5.800     4.200     0.200 peak  2691 spectrum    1 weight  0.10000E+01 volume  0.81727E-04 ppm1      6.853 ppm2      9.233 CV     1
 ASSI { 2692}
   (( segid "    " and resid 16   and name HD21))
   (( segid "    " and resid 15   and name HN  ))
      5.500     3.800     0.500 peak  2692 spectrum    1 weight  0.10000E+01 volume  0.13262E-03 ppm1      6.855 ppm2      8.807 CV     1
 ASSI { 2693}
   (( segid "    " and resid 16   and name HD21))
   (( segid "    " and resid 16   and name HN  ))
      3.400     1.500     1.500 peak  2693 spectrum    1 weight  0.10000E+01 volume  0.31635E-03 ppm1      6.851 ppm2      8.692 CV     1
 ASSI { 2704}
   (( segid "    " and resid 16   and name HD21))
   (( segid "    " and resid 26   and name HN  ))
      4.100     2.100     1.900 peak  2704 spectrum    1 weight  0.10000E+01 volume  0.11218E-02 ppm1      6.837 ppm2      7.515 CV     1
 ASSI { 2707}
   (( segid "    " and resid 16   and name HD21))
   (  segid "    " and resid 32   and name HE% )
      4.100     2.100     1.900 peak  2707 spectrum    1 weight  0.10000E+01 volume  0.15114E-02 ppm1      6.851 ppm2      7.027 CV     1
 ASSI { 2711}
   (( segid "    " and resid 16   and name HD21))
   (( segid "    " and resid 21   and name HN  ))
      4.300     2.300     1.700 peak  2711 spectrum    1 weight  0.10000E+01 volume  0.21430E-03 ppm1      6.852 ppm2      6.448 CV     1
 ASSI { 2725}
   (( segid "    " and resid 16   and name HD22))
   (( segid "    " and resid 16   and name HB1 ))
      3.300     1.400     1.400 peak  2725 spectrum    1 weight  0.10000E+01 volume  0.26499E-02 ppm1      8.069 ppm2      3.106 CV     1
 ASSI { 2729}
   (( segid "    " and resid 16   and name HD21))
   (( segid "    " and resid 16   and name HB1 ))
      3.100     1.200     1.200 peak  2729 spectrum    1 weight  0.10000E+01 volume  0.14621E-02 ppm1      6.852 ppm2      3.107 CV     1
 ASSI { 2730}
   (( segid "    " and resid 16   and name HD21))
   (( segid "    " and resid 16   and name HB2 ))
      3.700     1.700     1.700 peak  2730 spectrum    1 weight  0.10000E+01 volume  0.83348E-03 ppm1      6.852 ppm2      2.749 CV     1
 ASSI { 2740}
   (( segid "    " and resid 16   and name HD22))
   (( segid "    " and resid 15   and name HB  ))
      4.800     2.900     1.200 peak  2740 spectrum    1 weight  0.10000E+01 volume  0.15509E-03 ppm1      8.069 ppm2      2.272 CV     1
 ASSI { 2747}
   (( segid "    " and resid 16   and name HD22))
   (  segid "    " and resid 12   and name HB% )
      4.100     2.100     1.900 peak  2747 spectrum    1 weight  0.10000E+01 volume  0.10582E-03 ppm1      8.069 ppm2      1.710 CV     1
 ASSI { 2751}
   (( segid "    " and resid 80   and name HE21))
   (( segid "    " and resid 77   and name HN  ))
      5.000     3.100     1.000 peak  2751 spectrum    1 weight  0.10000E+01 volume  0.11606E-03 ppm1      7.651 ppm2      8.494 CV     1
 ASSI { 2765}
   (( segid "    " and resid 80   and name HE22))
   (  segid "    " and resid 54   and name HD% )
      3.000     1.100     1.100 peak  2765 spectrum    1 weight  0.10000E+01 volume  0.75770E-03 ppm1      7.736 ppm2      7.478 CV     1
 ASSI { 2766}
   (( segid "    " and resid 80   and name HE21))
   (  segid "    " and resid 54   and name HD% )
      3.800     1.800     1.800 peak  2766 spectrum    1 weight  0.10000E+01 volume  0.14657E-02 ppm1      7.653 ppm2      7.475 CV     1
 ASSI { 2772}
   (( segid "    " and resid 80   and name HE22))
   (( segid "    " and resid 2    and name HA  ))
      3.600     1.600     1.600 peak  2772 spectrum    1 weight  0.10000E+01 volume  0.20311E-03 ppm1      7.737 ppm2      4.840 CV     1
 ASSI { 2773}
   (( segid "    " and resid 80   and name HE21))
   (( segid "    " and resid 2    and name HA  ))
      3.400     3.400     2.600 peak  2773 spectrum    1 weight  0.10000E+01 volume  0.27648E-03 ppm1      7.653 ppm2      4.836 CV     1
 ASSI { 2774}
   (( segid "    " and resid 80   and name HE22))
   (( segid "    " and resid 80   and name HA  ))
      4.600     2.600     1.400 peak  2774 spectrum    1 weight  0.10000E+01 volume  0.24054E-03 ppm1      7.735 ppm2      4.424 CV     1
 ASSI { 2775}
   (( segid "    " and resid 80   and name HE21))
   (( segid "    " and resid 80   and name HA  ))
      3.600     1.600     1.600 peak  2775 spectrum    1 weight  0.10000E+01 volume  0.29539E-03 ppm1      7.652 ppm2      4.427 CV     1
 ASSI { 2779}
   (( segid "    " and resid 80   and name HE22))
   (( segid "    " and resid 77   and name HA  ))
      3.700     1.700     1.700 peak  2779 spectrum    1 weight  0.10000E+01 volume  0.20765E-02 ppm1      7.736 ppm2      3.897 CV     1
 ASSI { 2782}
   (( segid "    " and resid 80   and name HE22))
   (( segid "    " and resid 54   and name HB1 ))
      3.600     1.600     1.600 peak  2782 spectrum    1 weight  0.10000E+01 volume  0.29022E-03 ppm1      7.737 ppm2      3.436 CV     1
 ASSI { 2784}
   (( segid "    " and resid 80   and name HE22))
   (( segid "    " and resid 80   and name HG1 ))
      3.500     1.500     1.500 peak  2784 spectrum    1 weight  0.10000E+01 volume  0.26735E-02 ppm1      7.736 ppm2      2.711 CV     1
 ASSI { 2785}
   (( segid "    " and resid 80   and name HE21))
   (( segid "    " and resid 80   and name HG1 ))
      3.400     1.500     1.500 peak  2785 spectrum    1 weight  0.10000E+01 volume  0.13108E-02 ppm1      7.653 ppm2      2.709 CV     1
 ASSI { 2786}
   (( segid "    " and resid 80   and name HE22))
   (( segid "    " and resid 80   and name HG2 ))
      3.400     1.500     1.500 peak  2786 spectrum    1 weight  0.10000E+01 volume  0.18215E-02 ppm1      7.737 ppm2      2.587 CV     1
 ASSI { 2789}
   (( segid "    " and resid 80   and name HE22))
   (( segid "    " and resid 80   and name HB1 ))
      4.600     2.700     1.400 peak  2789 spectrum    1 weight  0.10000E+01 volume  0.41417E-03 ppm1      7.736 ppm2      2.351 CV     1
 ASSI { 2790}
   (( segid "    " and resid 80   and name HE21))
   (( segid "    " and resid 80   and name HB1 ))
      4.800     2.900     1.200 peak  2790 spectrum    1 weight  0.10000E+01 volume  0.27324E-03 ppm1      7.653 ppm2      2.331 CV     1
 ASSI { 2791}
   (( segid "    " and resid 80   and name HE22))
   (( segid "    " and resid 80   and name HB2 ))
      5.400     3.700     0.600 peak  2791 spectrum    1 weight  0.10000E+01 volume  0.41761E-03 ppm1      7.736 ppm2      2.143 CV     1
 ASSI { 2792}
   (( segid "    " and resid 80   and name HE21))
   (( segid "    " and resid 80   and name HB2 ))
      5.200     3.300     0.800 peak  2792 spectrum    1 weight  0.10000E+01 volume  0.25735E-03 ppm1      7.652 ppm2      2.141 CV     1
 ASSI { 2793}
   (( segid "    " and resid 80   and name HE21))
   (( segid "    " and resid 56   and name HB  ))
      5.000     3.200     1.000 peak  2793 spectrum    1 weight  0.10000E+01 volume  0.12120E-03 ppm1      7.651 ppm2      2.002 CV     1
 ASSI { 2794}
   (( segid "    " and resid 80   and name HE22))
   (( segid "    " and resid 76   and name HB  ))
      5.500     3.800     0.500 peak  2794 spectrum    1 weight  0.10000E+01 volume  0.17739E-03 ppm1      7.740 ppm2      1.770 CV     1
 ASSI { 2795}
   (( segid "    " and resid 80   and name HE21))
   (( segid "    " and resid 76   and name HB  ))
      4.800     2.900     1.200 peak  2795 spectrum    1 weight  0.10000E+01 volume  0.19266E-03 ppm1      7.656 ppm2      1.772 CV     1
 ASSI { 2796}
   (( segid "    " and resid 80   and name HE22))
   (( segid "    " and resid 77   and name HB2 ))
      3.500     1.600     1.600 peak  2796 spectrum    1 weight  0.10000E+01 volume  0.23210E-03 ppm1      7.729 ppm2      1.666 CV     1
 OR { 2796}
   (( segid "    " and resid 80   and name HE22))
   (( segid "    " and resid 77   and name HG  ))
 ASSI { 2797}
   (( segid "    " and resid 80   and name HE21))
   (( segid "    " and resid 77   and name HB2 ))
      4.800     2.900     1.200 peak  2797 spectrum    1 weight  0.10000E+01 volume  0.17026E-03 ppm1      7.655 ppm2      1.674 CV     1
 ASSI { 2808}
   (( segid "    " and resid 80   and name HE22))
   (  segid "    " and resid 56   and name HG2%)
      4.900     2.900     1.100 peak  2808 spectrum    1 weight  0.10000E+01 volume  0.30540E-03 ppm1      7.734 ppm2      0.991 CV     1
 ASSI { 2809}
   (( segid "    " and resid 80   and name HE21))
   (  segid "    " and resid 56   and name HG2%)
      4.700     2.700     1.300 peak  2809 spectrum    1 weight  0.10000E+01 volume  0.21778E-03 ppm1      7.652 ppm2      0.989 CV     1
 ASSI { 2810}
   (( segid "    " and resid 80   and name HE22))
   (  segid "    " and resid 56   and name HG2%)
      4.700     2.800     1.300 peak  2810 spectrum    1 weight  0.10000E+01 volume  0.34685E-03 ppm1      7.738 ppm2      0.930 CV     1
 OR { 2810}
   (( segid "    " and resid 80   and name HE22))
   (  segid "    " and resid 56   and name HG1%)
 ASSI { 2811}
   (( segid "    " and resid 80   and name HE21))
   (  segid "    " and resid 56   and name HG2%)
      4.500     2.600     1.500 peak  2811 spectrum    1 weight  0.10000E+01 volume  0.28254E-03 ppm1      7.653 ppm2      0.930 CV     1
 OR { 2811}
   (( segid "    " and resid 80   and name HE21))
   (  segid "    " and resid 56   and name HG1%)
 ASSI { 2812}
   (( segid "    " and resid 80   and name HE22))
   (  segid "    " and resid 77   and name HD2%)
      2.600     2.600     3.400 peak  2812 spectrum    1 weight  0.10000E+01 volume  0.16127E-02 ppm1      7.737 ppm2      0.822 CV     1
 OR { 2812}
   (( segid "    " and resid 80   and name HE22))
   (  segid "    " and resid 77   and name HD1%)
 ASSI { 2821}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 75   and name HE% )
      5.200     3.400     0.800 peak  2821 spectrum    1 weight  0.10000E+01 volume  0.17346E-03 ppm1      7.710 ppm2      6.560 CV     1
 ASSI { 2831}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HN  ))
      2.600     0.900     0.900 peak  2831 spectrum    1 weight  0.10000E+01 volume  0.29464E-02 ppm1      7.711 ppm2      8.278 CV     1
 ASSI { 2844}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 81   and name HN  ))
      4.100     2.100     1.900 peak  2844 spectrum    1 weight  0.10000E+01 volume  0.13171E-02 ppm1      7.877 ppm2      8.305 CV     1
 ASSI { 2848}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      4.100     2.100     1.900 peak  2848 spectrum    1 weight  0.10000E+01 volume  0.51863E-03 ppm1      7.877 ppm2      8.496 CV     1
 ASSI { 2858}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      2.500     0.800     0.800 peak  2858 spectrum    1 weight  0.10000E+01 volume  0.36563E-02 ppm1      7.877 ppm2      4.414 CV     1
 ASSI { 2860}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      3.700     1.700     1.700 peak  2860 spectrum    1 weight  0.10000E+01 volume  0.57778E-03 ppm1      7.877 ppm2      3.501 CV     1
 ASSI { 2861}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      4.000     2.000     2.000 peak  2861 spectrum    1 weight  0.10000E+01 volume  0.63337E-03 ppm1      7.875 ppm2      3.891 CV     1
 ASSI { 2863}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HG1 ))
      3.200     1.300     1.300 peak  2863 spectrum    1 weight  0.10000E+01 volume  0.45272E-02 ppm1      7.877 ppm2      2.710 CV     1
 ASSI { 2865}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HB1 ))
      3.500     1.500     1.500 peak  2865 spectrum    1 weight  0.10000E+01 volume  0.32302E-02 ppm1      7.877 ppm2      2.337 CV     1
 ASSI { 2866}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
      2.500     0.800     0.800 peak  2866 spectrum    1 weight  0.10000E+01 volume  0.35631E-02 ppm1      7.877 ppm2      2.143 CV     1
 ASSI { 2875}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
      4.600     2.600     1.400 peak  2875 spectrum    1 weight  0.10000E+01 volume  0.28684E-03 ppm1      7.876 ppm2      0.826 CV     1
 OR { 2875}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
 ASSI { 2878}
   (( segid "    " and resid 4    and name HE22))
   (  segid "    " and resid 28   and name HD2%)
      3.600     1.600     1.600 peak  2878 spectrum    1 weight  0.10000E+01 volume  0.10436E-02 ppm1      7.510 ppm2      0.908 CV     1
 ASSI { 2880}
   (( segid "    " and resid 4    and name HE22))
   (  segid "    " and resid 26   and name HG1%)
      6.000     6.000     0.000 peak  2880 spectrum    1 weight  0.10000E+01 volume  0.77027E-04 ppm1      7.514 ppm2      0.717 CV     1
 ASSI { 2882}
   (( segid "    " and resid 4    and name HE21))
   (( segid "    " and resid 4    and name HG1 ))
      3.800     1.800     1.800 peak  2882 spectrum    1 weight  0.10000E+01 volume  0.82161E-03 ppm1      6.833 ppm2      2.228 CV     1
 OR { 2882}
   (( segid "    " and resid 4    and name HE21))
   (( segid "    " and resid 4    and name HB1 ))
 ASSI { 2883}
   (( segid "    " and resid 4    and name HE21))
   (( segid "    " and resid 4    and name HG2 ))
      2.900     1.000     1.000 peak  2883 spectrum    1 weight  0.10000E+01 volume  0.75748E-03 ppm1      6.833 ppm2      2.174 CV     1
 OR { 2883}
   (( segid "    " and resid 4    and name HE21))
   (( segid "    " and resid 4    and name HB1 ))
 ASSI { 2889}
   (( segid "    " and resid 4    and name HE21))
   (  segid "    " and resid 28   and name HD2%)
      3.600     1.600     1.600 peak  2889 spectrum    1 weight  0.10000E+01 volume  0.10642E-02 ppm1      6.833 ppm2      0.906 CV     1
 ASSI { 2890}
   (( segid "    " and resid 4    and name HE21))
   (  segid "    " and resid 28   and name HD1%)
      4.200     2.200     1.800 peak  2890 spectrum    1 weight  0.10000E+01 volume  0.71833E-03 ppm1      6.834 ppm2      0.812 CV     1
 ASSI { 2891}
   (( segid "    " and resid 4    and name HE22))
   (( segid "    " and resid 4    and name HG1 ))
      3.800     1.800     1.800 peak  2891 spectrum    1 weight  0.10000E+01 volume  0.16315E-02 ppm1      7.509 ppm2      2.225 CV     1
 OR { 2891}
   (( segid "    " and resid 4    and name HE22))
   (( segid "    " and resid 4    and name HB1 ))
 ASSI { 2892}
   (( segid "    " and resid 4    and name HE22))
   (( segid "    " and resid 4    and name HG2 ))
      3.800     1.800     1.800 peak  2892 spectrum    1 weight  0.10000E+01 volume  0.11350E-02 ppm1      7.510 ppm2      2.171 CV     1
 OR { 2892}
   (( segid "    " and resid 4    and name HE22))
   (( segid "    " and resid 4    and name HB1 ))
 ASSI { 2899}
   (( segid "    " and resid 4    and name HE22))
   (( segid "    " and resid 4    and name HE21))
      1.500     0.300     0.700 peak  2899 spectrum    1 weight  0.10000E+01 volume  0.23372E-01 ppm1      7.510 ppm2      6.833 CV     1
 ASSI { 2907}
   (( segid "    " and resid 4    and name HE22))
   (( segid "    " and resid 4    and name HA  ))
      6.000     5.500     0.000 peak  2907 spectrum    1 weight  0.10000E+01 volume  0.92721E-04 ppm1      7.508 ppm2      3.702 CV     1
 ASSI { 2917}
   (( segid "    " and resid 4    and name HE21))
   (( segid "    " and resid 6    and name HN  ))
      3.700     1.700     1.700 peak  2917 spectrum    1 weight  0.10000E+01 volume  0.77817E-03 ppm1      6.833 ppm2      7.691 CV     1
 ASSI { 2927}
   (( segid "    " and resid 4    and name HE22))
   (( segid "    " and resid 6    and name HN  ))
      3.900     1.900     1.900 peak  2927 spectrum    1 weight  0.10000E+01 volume  0.12599E-02 ppm1      7.512 ppm2      7.691 CV     1
 ASSI { 2934}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 40   and name H2B ))
      5.300     3.500     0.700 peak  2934 spectrum    1 weight  0.10000E+01 volume  0.91867E-04 ppm1      7.173 ppm2      2.257 CV     1
 OR { 2934}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 40   and name H2A ))
 ASSI { 2939}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 70   and name HN  ))
      5.300     3.500     0.700 peak  2939 spectrum    1 weight  0.10000E+01 volume  0.14065E-03 ppm1      8.390 ppm2      9.370 CV     1
 ASSI { 2941}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 51   and name HG2 ))
      5.300     3.600     0.700 peak  2941 spectrum    1 weight  0.10000E+01 volume  0.28847E-03 ppm1      7.824 ppm2      2.298 CV     1
 ASSI { 2942}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
      5.300     3.600     0.700 peak  2942 spectrum    1 weight  0.10000E+01 volume  0.52196E-03 ppm1      7.825 ppm2      2.115 CV     1
 ASSI { 2946}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 19   and name HB% )
      2.700     0.900     0.900 peak  2946 spectrum    1 weight  0.10000E+01 volume  0.20043E-02 ppm1      7.828 ppm2      1.538 CV     1
 ASSI { 2948}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 21   and name HG11))
      4.700     2.800     1.300 peak  2948 spectrum    1 weight  0.10000E+01 volume  0.49264E-03 ppm1      7.826 ppm2      1.310 CV     1
 OR { 2948}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 21   and name HG12))
 ASSI { 2951}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 21   and name HD1%)
      5.500     3.700     0.500 peak  2951 spectrum    1 weight  0.10000E+01 volume  0.31311E-03 ppm1      7.825 ppm2      0.838 CV     1
 ASSI { 2953}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      5.100     3.200     0.900 peak  2953 spectrum    1 weight  0.10000E+01 volume  0.30536E-03 ppm1      7.829 ppm2      4.325 CV     1
 ASSI { 2960}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      4.500     2.500     1.500 peak  2960 spectrum    1 weight  0.10000E+01 volume  0.28903E-03 ppm1      7.827 ppm2      3.599 CV     1
 ASSI { 2965}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      3.400     1.400     1.400 peak  2965 spectrum    1 weight  0.10000E+01 volume  0.13387E-02 ppm1      7.828 ppm2      4.816 CV     1
 ASSI { 2967}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      2.300     0.600     0.600 peak  2967 spectrum    1 weight  0.10000E+01 volume  0.32212E-02 ppm1      7.828 ppm2      6.458 CV     1
 ASSI { 2969}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      5.200     3.400     0.800 peak  2969 spectrum    1 weight  0.10000E+01 volume  0.18785E-03 ppm1      8.386 ppm2      6.352 CV     1
 ASSI { 2971}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
      4.000     2.000     2.000 peak  2971 spectrum    1 weight  0.10000E+01 volume  0.73624E-03 ppm1      7.877 ppm2      0.533 CV     1
 ASSI {    1}
   (( segid "    " and resid 40   and name H42B))
   (( segid "    " and resid 40   and name H43A))
      2.200     0.600     0.600 peak     1 spectrum    1 weight  0.10000E+01 volume  0.59801E-02 ppm1      3.185 ppm2      2.809 CV     1
 OR {    1}
   (( segid "    " and resid 40   and name H42A))
   (( segid "    " and resid 40   and name H43B))
 OR {    1}
   (( segid "    " and resid 40   and name H42A))
   (( segid "    " and resid 40   and name H43A))
 OR {    1}
   (( segid "    " and resid 40   and name H42B))
   (( segid "    " and resid 40   and name H43B))
 ASSI {    2}
   (( segid "    " and resid 40   and name H37B))
   (( segid "    " and resid 40   and name H38B))
      2.300     0.600     0.600 peak     2 spectrum    1 weight  0.10000E+01 volume  0.56124E-02 ppm1      3.478 ppm2      2.461 CV     1
 OR {    2}
   (( segid "    " and resid 40   and name H37A))
   (( segid "    " and resid 40   and name H38A))
 OR {    2}
   (( segid "    " and resid 40   and name H37A))
   (( segid "    " and resid 40   and name H38B))
 OR {    2}
   (( segid "    " and resid 40   and name H37B))
   (( segid "    " and resid 40   and name H38A))
 ASSI {    3}
   (( segid "    " and resid 40   and name H41A))
   (  segid "    " and resid 40   and name H31%)
      4.700     2.700     1.300 peak     3 spectrum    1 weight  0.10000E+01 volume  0.11156E-02 ppm1      8.068 ppm2      0.902 CV     1
 ASSI {    4}
   (( segid "    " and resid 40   and name H41A))
   (  segid "    " and resid 40   and name H30%)
      2.700     2.700     3.300 peak     4 spectrum    1 weight  0.10000E+01 volume  0.10974E-02 ppm1      8.070 ppm2      0.869 CV     1
 ASSI {    5}
   (( segid "    " and resid 40   and name H36A))
   (  segid "    " and resid 40   and name H31%)
      3.600     1.600     1.600 peak     5 spectrum    1 weight  0.10000E+01 volume  0.30998E-02 ppm1      7.996 ppm2      0.902 CV     1
 ASSI {    6}
   (( segid "    " and resid 40   and name H36A))
   (  segid "    " and resid 40   and name H30%)
      3.800     1.800     1.800 peak     6 spectrum    1 weight  0.10000E+01 volume  0.26921E-02 ppm1      7.995 ppm2      0.870 CV     1
 ASSI {   12}
   (( segid "    " and resid 40   and name H36A))
   (( segid "    " and resid 40   and name H28B))
      3.500     1.500     1.500 peak    12 spectrum    1 weight  0.10000E+01 volume  0.63040E-03 ppm1      7.995 ppm2      3.422 CV     1
 ASSI {   14}
   (( segid "    " and resid 40   and name H4A ))
   (( segid "    " and resid 40   and name H2A ))
      2.300     0.700     0.700 peak    14 spectrum    1 weight  0.10000E+01 volume  0.30149E-02 ppm1      0.861 ppm2      2.251 CV     1
 OR {   14}
   (( segid "    " and resid 40   and name H4A ))
   (( segid "    " and resid 40   and name H2B ))
 OR {   14}
   (( segid "    " and resid 40   and name H4B ))
   (( segid "    " and resid 40   and name H2B ))
 OR {   14}
   (( segid "    " and resid 40   and name H4B ))
   (( segid "    " and resid 40   and name H2A ))
 ASSI {   15}
   (  segid "    " and resid 40   and name H6% )
   (( segid "    " and resid 40   and name H4A ))
      2.400     0.700     0.700 peak    15 spectrum    1 weight  0.10000E+01 volume  0.23863E-02 ppm1      0.635 ppm2      0.849 CV     1
 OR {   15}
   (  segid "    " and resid 40   and name H6% )
   (( segid "    " and resid 40   and name H4B ))
 ASSI {   16}
   (  segid "    " and resid 40   and name H6% )
   (( segid "    " and resid 40   and name H5A ))
      2.400     0.700     0.700 peak    16 spectrum    1 weight  0.10000E+01 volume  0.20352E-02 ppm1      0.635 ppm2      0.973 CV     1
 OR {   16}
   (  segid "    " and resid 40   and name H6% )
   (( segid "    " and resid 40   and name H5B ))
 ASSI {   17}
   (( segid "    " and resid 40   and name H42B))
   (( segid "    " and resid 40   and name H38B))
      4.500     2.500     1.500 peak    17 spectrum    1 weight  0.10000E+01 volume  0.82398E-03 ppm1      3.191 ppm2      2.461 CV     1
 OR {   17}
   (( segid "    " and resid 40   and name H42B))
   (( segid "    " and resid 40   and name H38A))
 OR {   17}
   (( segid "    " and resid 40   and name H42A))
   (( segid "    " and resid 40   and name H38B))
 OR {   17}
   (( segid "    " and resid 40   and name H42A))
   (( segid "    " and resid 40   and name H38A))
 ASSI {   18}
   (( segid "    " and resid 40   and name H42A))
   (( segid "    " and resid 40   and name H2A ))
      5.100     3.300     0.900 peak    18 spectrum    1 weight  0.10000E+01 volume  0.34441E-03 ppm1      3.186 ppm2      2.256 CV     1
 OR {   18}
   (( segid "    " and resid 40   and name H42B))
   (( segid "    " and resid 40   and name H2A ))
 OR {   18}
   (( segid "    " and resid 40   and name H42A))
   (( segid "    " and resid 40   and name H2B ))
 OR {   18}
   (( segid "    " and resid 40   and name H42B))
   (( segid "    " and resid 40   and name H2B ))
 ASSI {   19}
   (( segid "    " and resid 40   and name H43B))
   (( segid "    " and resid 40   and name H2A ))
      3.200     1.300     1.300 peak    19 spectrum    1 weight  0.10000E+01 volume  0.65351E-03 ppm1      2.811 ppm2      2.253 CV     1
 OR {   19}
   (( segid "    " and resid 40   and name H43A))
   (( segid "    " and resid 40   and name H2A ))
 OR {   19}
   (( segid "    " and resid 40   and name H43B))
   (( segid "    " and resid 40   and name H2B ))
 OR {   19}
   (( segid "    " and resid 40   and name H43A))
   (( segid "    " and resid 40   and name H2B ))
 ASSI {   20}
   (( segid "    " and resid 40   and name H43B))
   (( segid "    " and resid 40   and name H38B))
      5.000     3.100     1.000 peak    20 spectrum    1 weight  0.10000E+01 volume  0.57371E-03 ppm1      2.815 ppm2      2.458 CV     1
 OR {   20}
   (( segid "    " and resid 40   and name H43B))
   (( segid "    " and resid 40   and name H38A))
 OR {   20}
   (( segid "    " and resid 40   and name H43A))
   (( segid "    " and resid 40   and name H38B))
 OR {   20}
   (( segid "    " and resid 40   and name H43A))
   (( segid "    " and resid 40   and name H38A))
 ASSI {   21}
   (( segid "    " and resid 40   and name H42A))
   (  segid "    " and resid 40   and name H31%)
      4.300     2.300     1.700 peak    21 spectrum    1 weight  0.10000E+01 volume  0.13789E-02 ppm1      3.186 ppm2      0.901 CV     1
 OR {   21}
   (( segid "    " and resid 40   and name H42B))
   (  segid "    " and resid 40   and name H31%)
 ASSI {   22}
   (( segid "    " and resid 40   and name H42A))
   (  segid "    " and resid 40   and name H30%)
      2.800     2.800     3.200 peak    22 spectrum    1 weight  0.10000E+01 volume  0.94704E-03 ppm1      3.191 ppm2      0.870 CV     1
 OR {   22}
   (( segid "    " and resid 40   and name H42B))
   (  segid "    " and resid 40   and name H30%)
 ASSI {   24}
   (( segid "    " and resid 40   and name H43B))
   (  segid "    " and resid 40   and name H30%)
      2.500     2.500     3.500 peak    24 spectrum    1 weight  0.10000E+01 volume  0.20183E-02 ppm1      2.812 ppm2      0.870 CV     1
 OR {   24}
   (( segid "    " and resid 40   and name H43A))
   (  segid "    " and resid 40   and name H30%)
 ASSI {   31}
   (( segid "    " and resid 40   and name H36A))
   (( segid "    " and resid 40   and name H32A))
      1.900     0.400     0.400 peak    31 spectrum    1 weight  0.10000E+01 volume  0.11910E-01 ppm1      7.996 ppm2      4.003 CV     1
 ASSI {   37}
   (( segid "    " and resid 40   and name H37B))
   (( segid "    " and resid 40   and name H41A))
      2.700     0.900     0.900 peak    37 spectrum    1 weight  0.10000E+01 volume  0.15943E-02 ppm1      3.476 ppm2      8.065 CV     1
 OR {   37}
   (( segid "    " and resid 40   and name H37A))
   (( segid "    " and resid 40   and name H41A))
 ASSI {   38}
   (( segid "    " and resid 40   and name H37B))
   (( segid "    " and resid 40   and name H36A))
      2.100     0.500     0.500 peak    38 spectrum    1 weight  0.10000E+01 volume  0.62716E-02 ppm1      3.476 ppm2      7.995 CV     1
 OR {   38}
   (( segid "    " and resid 40   and name H37A))
   (( segid "    " and resid 40   and name H36A))
 ASSI {   39}
   (( segid "    " and resid 40   and name H42A))
   (( segid "    " and resid 40   and name H41A))
      2.200     0.600     0.600 peak    39 spectrum    1 weight  0.10000E+01 volume  0.55202E-02 ppm1      3.188 ppm2      8.066 CV     1
 OR {   39}
   (( segid "    " and resid 40   and name H42B))
   (( segid "    " and resid 40   and name H41A))
 ASSI {   40}
   (( segid "    " and resid 40   and name H43B))
   (( segid "    " and resid 40   and name H41A))
      2.900     1.000     1.000 peak    40 spectrum    1 weight  0.10000E+01 volume  0.24659E-02 ppm1      2.812 ppm2      8.066 CV     1
 OR {   40}
   (( segid "    " and resid 40   and name H43A))
   (( segid "    " and resid 40   and name H41A))
 ASSI {   41}
   (( segid "    " and resid 40   and name H38B))
   (( segid "    " and resid 40   and name H41A))
      2.400     0.700     0.700 peak    41 spectrum    1 weight  0.10000E+01 volume  0.75053E-02 ppm1      2.461 ppm2      8.065 CV     1
 OR {   41}
   (( segid "    " and resid 40   and name H38A))
   (( segid "    " and resid 40   and name H41A))
 ASSI {   42}
   (( segid "    " and resid 40   and name H38A))
   (( segid "    " and resid 40   and name H36A))
      3.400     1.400     1.400 peak    42 spectrum    1 weight  0.10000E+01 volume  0.26585E-02 ppm1      2.461 ppm2      7.995 CV     1
 OR {   42}
   (( segid "    " and resid 40   and name H38B))
   (( segid "    " and resid 40   and name H36A))
 ASSI {   43}
   (( segid "    " and resid 40   and name H43B))
   (( segid "    " and resid 40   and name H36A))
      5.500     3.800     0.500 peak    43 spectrum    1 weight  0.10000E+01 volume  0.24328E-03 ppm1      2.807 ppm2      7.996 CV     1
 OR {   43}
   (( segid "    " and resid 40   and name H43A))
   (( segid "    " and resid 40   and name H36A))
 ASSI {   44}
   (( segid "    " and resid 40   and name H28A))
   (( segid "    " and resid 40   and name H36A))
      4.700     2.800     1.300 peak    44 spectrum    1 weight  0.10000E+01 volume  0.68992E-03 ppm1      3.740 ppm2      7.996 CV     1
 ASSI {   45}
   (( segid "    " and resid 40   and name H2A ))
   (  segid "    " and resid 40   and name H6% )
      4.600     2.600     1.400 peak    45 spectrum    1 weight  0.10000E+01 volume  0.83440E-03 ppm1      2.251 ppm2      0.632 CV     1
 OR {   45}
   (( segid "    " and resid 40   and name H2B ))
   (  segid "    " and resid 40   and name H6% )
 ASSI {   48}
   (( segid "    " and resid 40   and name H2A ))
   (( segid "    " and resid 40   and name H5B ))
      3.500     1.500     1.500 peak    48 spectrum    1 weight  0.10000E+01 volume  0.11223E-02 ppm1      2.250 ppm2      0.957 CV     1
 OR {   48}
   (( segid "    " and resid 40   and name H2B ))
   (( segid "    " and resid 40   and name H5B ))
 OR {   48}
   (( segid "    " and resid 40   and name H2A ))
   (( segid "    " and resid 40   and name H5A ))
 OR {   48}
   (( segid "    " and resid 40   and name H2B ))
   (( segid "    " and resid 40   and name H5A ))
 ASSI {    3}
   (  segid "    " and resid 66   and name HD1%)
   (  segid "    " and resid 40   and name H6% )
      3.400     1.500     1.500 peak     3 spectrum    1 weight  0.10000E+01 volume  0.11882E-02 ppm1      0.405 ppm2      0.625 CV     1
 ASSI {    4}
   (  segid "    " and resid 58   and name HG2%)
   (  segid "    " and resid 40   and name H6% )
      3.500     1.500     1.500 peak     4 spectrum    1 weight  0.10000E+01 volume  0.14251E-02 ppm1      0.326 ppm2      0.626 CV     1
 ASSI {    5}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 40   and name H6% )
      3.100     1.200     1.200 peak     5 spectrum    1 weight  0.10000E+01 volume  0.12332E-02 ppm1      3.284 ppm2      0.626 CV     1
 ASSI {   10}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name H42A))
      4.600     2.600     1.400 peak    10 spectrum    1 weight  0.10000E+01 volume  0.69933E-03 ppm1      1.439 ppm2      3.184 CV     1
 OR {   10}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name H42B))
 ASSI {   11}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 40   and name H42B))
      3.900     1.900     1.900 peak    11 spectrum    1 weight  0.10000E+01 volume  0.57408E-03 ppm1      1.268 ppm2      3.179 CV     1
 OR {   11}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 40   and name H42A))
 ASSI {   14}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name H2A ))
      3.500     1.500     1.500 peak    14 spectrum    1 weight  0.10000E+01 volume  0.82960E-03 ppm1      1.442 ppm2      2.242 CV     1
 OR {   14}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name H2B ))
 ASSI {   16}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 40   and name H42A))
      3.900     1.900     1.900 peak    16 spectrum    1 weight  0.10000E+01 volume  0.78461E-03 ppm1      0.805 ppm2      3.180 CV     1
 OR {   16}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 40   and name H42B))
 ASSI {   17}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 40   and name H43B))
      3.400     1.500     1.500 peak    17 spectrum    1 weight  0.10000E+01 volume  0.75446E-03 ppm1      0.805 ppm2      2.806 CV     1
 OR {   17}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 40   and name H43A))
 ASSI {   20}
   (( segid "    " and resid 76   and name HG11))
   (  segid "    " and resid 40   and name H6% )
      4.300     2.300     1.700 peak    20 spectrum    1 weight  0.10000E+01 volume  0.46025E-03 ppm1      1.996 ppm2      0.630 CV     1
 ASSI {   21}
   (( segid "    " and resid 32   and name HZ  ))
   (  segid "    " and resid 40   and name H6% )
      4.500     2.500     1.500 peak    21 spectrum    1 weight  0.10000E+01 volume  0.58381E-03 ppm1      6.834 ppm2      0.626 CV     1
 ASSI {   24}
   (( segid "    " and resid 40   and name H43B))
   (  segid "    " and resid 40   and name H31%)
      4.600     2.600     1.400 peak    24 spectrum    1 weight  0.10000E+01 volume  0.14349E-02 ppm1      2.803 ppm2      0.896 CV     1
 OR {   24}
   (( segid "    " and resid 40   and name H43A))
   (  segid "    " and resid 40   and name H31%)
 ASSI {   33}
   (  segid "    " and resid 32   and name HD% )
   (( segid "    " and resid 40   and name H2B ))
      4.300     2.300     1.700 peak    33 spectrum    1 weight  0.10000E+01 volume  0.54128E-03 ppm1      7.184 ppm2      2.249 CV     1
 OR {   33}
   (  segid "    " and resid 32   and name HD% )
   (( segid "    " and resid 40   and name H2A ))
 ASSI {   34}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 40   and name H2B ))
      4.900     3.000     1.100 peak    34 spectrum    1 weight  0.10000E+01 volume  0.39465E-03 ppm1      6.986 ppm2      2.238 CV     1
 OR {   34}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 40   and name H2A ))
 ASSI {   38}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 40   and name H42B))
      3.200     3.200     2.800 peak    38 spectrum    1 weight  0.10000E+01 volume  0.72641E-03 ppm1      4.475 ppm2      3.181 CV     1
 OR {   38}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 40   and name H42A))
 ASSI {   39}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 40   and name H43A))
      3.400     1.400     1.400 peak    39 spectrum    1 weight  0.10000E+01 volume  0.55896E-03 ppm1      4.476 ppm2      2.803 CV     1
 OR {   39}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 40   and name H43B))
 ASSI {   40}
   (( segid "    " and resid 43   and name HB1 ))
   (( segid "    " and resid 40   and name H42A))
      4.300     2.300     1.700 peak    40 spectrum    1 weight  0.10000E+01 volume  0.46811E-03 ppm1      2.019 ppm2      3.184 CV     1
 OR {   40}
   (( segid "    " and resid 43   and name HB1 ))
   (( segid "    " and resid 40   and name H42B))
 ASSI {   41}
   (( segid "    " and resid 43   and name HB1 ))
   (( segid "    " and resid 40   and name H43B))
      3.800     1.800     1.800 peak    41 spectrum    1 weight  0.10000E+01 volume  0.59194E-03 ppm1      2.020 ppm2      2.806 CV     1
 OR {   41}
   (( segid "    " and resid 43   and name HB1 ))
   (( segid "    " and resid 40   and name H43A))
 ASSI {   44}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name H38A))
      5.200     3.400     0.800 peak    44 spectrum    1 weight  0.10000E+01 volume  0.39798E-03 ppm1      4.148 ppm2      2.451 CV     1
 OR {   44}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name H38B))
 OR {   44}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 40   and name H38A))
 OR {   44}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name H38A))
 OR {   44}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name H38B))
 OR {   44}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 40   and name H38B))
 ASSI {   47}
   (( segid "    " and resid 40   and name H38A))
   (  segid "    " and resid 40   and name H31%)
      4.600     2.700     1.400 peak    47 spectrum    1 weight  0.10000E+01 volume  0.12717E-02 ppm1      2.453 ppm2      0.895 CV     1
 OR {   47}
   (( segid "    " and resid 40   and name H38B))
   (  segid "    " and resid 40   and name H31%)
 ASSI {   48}
   (( segid "    " and resid 40   and name H32A))
   (  segid "    " and resid 40   and name H31%)
      2.300     0.700     0.700 peak    48 spectrum    1 weight  0.10000E+01 volume  0.82206E-02 ppm1      3.998 ppm2      0.896 CV     1
 ASSI {   49}
   (( segid "    " and resid 40   and name H32A))
   (  segid "    " and resid 40   and name H30%)
      2.900     1.100     1.100 peak    49 spectrum    1 weight  0.10000E+01 volume  0.59646E-02 ppm1      3.997 ppm2      0.865 CV     1
 ASSI {   50}
   (( segid "    " and resid 40   and name H28A))
   (  segid "    " and resid 40   and name H31%)
      2.300     0.700     0.700 peak    50 spectrum    1 weight  0.10000E+01 volume  0.75615E-02 ppm1      3.732 ppm2      0.896 CV     1
 ASSI {   51}
   (( segid "    " and resid 40   and name H28B))
   (  segid "    " and resid 40   and name H31%)
      2.700     0.900     0.900 peak    51 spectrum    1 weight  0.10000E+01 volume  0.92699E-02 ppm1      3.427 ppm2      0.896 CV     1
 ASSI {   52}
   (( segid "    " and resid 40   and name H28A))
   (  segid "    " and resid 40   and name H30%)
      2.400     0.700     0.700 peak    52 spectrum    1 weight  0.10000E+01 volume  0.12381E-01 ppm1      3.733 ppm2      0.865 CV     1
 ASSI {   53}
   (( segid "    " and resid 40   and name H28B))
   (  segid "    " and resid 40   and name H30%)
      2.600     0.800     0.800 peak    53 spectrum    1 weight  0.10000E+01 volume  0.11864E-01 ppm1      3.426 ppm2      0.865 CV     1
 ASSI {   55}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 40   and name H31%)
      3.900     1.900     1.900 peak    55 spectrum    1 weight  0.10000E+01 volume  0.40328E-02 ppm1      4.137 ppm2      0.897 CV     1
 OR {   55}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 40   and name H31%)
 OR {   55}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 40   and name H31%)
 ASSI {   59}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name H28A))
      3.500     1.500     1.500 peak    59 spectrum    1 weight  0.10000E+01 volume  0.11483E-02 ppm1      4.140 ppm2      3.734 CV     1
 OR {   59}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 40   and name H28A))
 OR {   59}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name H28A))
 ASSI {   60}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name H28B))
      3.700     1.700     1.700 peak    60 spectrum    1 weight  0.10000E+01 volume  0.10660E-02 ppm1      4.141 ppm2      3.429 CV     1
 OR {   60}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 40   and name H28B))
 OR {   60}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name H28B))
 ASSI {   63}
   (  segid "    " and resid 32   and name HD% )
   (( segid "    " and resid 40   and name H43A))
      4.800     2.900     1.200 peak    63 spectrum    1 weight  0.10000E+01 volume  0.63214E-03 ppm1      7.189 ppm2      2.806 CV     1
 OR {   63}
   (  segid "    " and resid 32   and name HD% )
   (( segid "    " and resid 40   and name H43B))
 ASSI {   64}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 40   and name H30%)
      4.600     2.700     1.400 peak    64 spectrum    1 weight  0.10000E+01 volume  0.10688E-02 ppm1      4.126 ppm2      0.868 CV     1
 OR {   64}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 40   and name H30%)
 ASSI {   65}
   (  segid "    " and resid 40   and name H6% )
   (( segid "    " and resid 40   and name H3A ))
      4.500     2.600     1.500 peak    65 spectrum    1 weight  0.10000E+01 volume  0.84171E-03 ppm1      0.627 ppm2      1.184 CV     1
 ASSI {   66}
   (  segid "    " and resid 40   and name H6% )
   (( segid "    " and resid 40   and name H3B ))
      4.300     2.300     1.700 peak    66 spectrum    1 weight  0.10000E+01 volume  0.76972E-03 ppm1      0.626 ppm2      1.125 CV     1
 ASSI {   73}
   (  segid "    " and resid 32   and name HE% )
   (  segid "    " and resid 40   and name H6% )
      5.000     3.100     1.000 peak    73 spectrum    1 weight  0.10000E+01 volume  0.31595E-03 ppm1      6.980 ppm2      0.629 CV     1
 ASSI {   74}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 40   and name H4B ))
      3.900     1.900     1.900 peak    74 spectrum    1 weight  0.10000E+01 volume  0.34166E-03 ppm1      6.980 ppm2      0.847 CV     1
 OR {   74}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 40   and name H4A ))
 ASSI {   75}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 40   and name H43B))
      6.000     4.500     0.000 peak    75 spectrum    1 weight  0.10000E+01 volume  0.23470E-03 ppm1      6.983 ppm2      2.804 CV     1
 OR {   75}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 40   and name H43A))
 ASSI {   77}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 40   and name H5A ))
      3.800     1.800     1.800 peak    77 spectrum    1 weight  0.10000E+01 volume  0.30356E-03 ppm1      6.988 ppm2      0.959 CV     1
 OR {   77}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 40   and name H5B ))

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ALA   1           HT1      ALA   1  14.149  -7.285   5.303
    2    H2   ALA   1           HT2      ALA   1  12.993  -6.055   5.417
    3    H3   ALA   1           HT3      ALA   1  14.562  -5.690   4.839
    4    HA   ALA   1           HA       ALA   1  13.017  -5.710   3.089
    5    HB1  ALA   1           HB1      ALA   1  14.806  -8.139   3.011
    6    HB2  ALA   1           HB2      ALA   1  15.296  -6.482   2.641
    7    HB3  ALA   1           HB3      ALA   1  14.119  -7.302   1.616
    8    H    ALA   2           HN       ALA   2  10.946  -6.093   3.149
    9    HA   ALA   2           HA       ALA   2   9.807  -8.619   3.897
   10    HB1  ALA   2           HB1      ALA   2   8.533  -6.170   2.662
   11    HB2  ALA   2           HB2      ALA   2   8.643  -6.520   4.387
   12    HB3  ALA   2           HB3      ALA   2   7.667  -7.549   3.341
   13    H    THR   3           HN       THR   3   7.877  -9.258   2.106
   14    HA   THR   3           HA       THR   3   9.237  -9.563  -0.428
   15    HB   THR   3           HB       THR   3   8.319 -11.934  -0.471
   16    HG1  THR   3           HG1      THR   3   8.221 -11.787   2.336
   17   HG21  THR   3          HG21      THR   3  10.701 -11.511   0.031
   18   HG22  THR   3          HG22      THR   3  10.075 -12.896   0.944
   19   HG23  THR   3          HG23      THR   3  10.273 -11.333   1.738
   20    H    GLN   4           HN       GLN   4   7.161 -11.023  -1.668
   21    HA   GLN   4           HA       GLN   4   5.448  -8.912  -2.305
   22    HB2  GLN   4           HB2      GLN   4   5.965 -10.755  -3.869
   23    HB3  GLN   4           HB1      GLN   4   5.079 -11.875  -2.863
   24    HG2  GLN   4           HG2      GLN   4   3.633  -9.511  -4.048
   25    HG3  GLN   4           HG1      GLN   4   4.034 -10.884  -5.062
   26   HE21  GLN   4          HE21      GLN   4   2.096  -9.753  -2.434
   27   HE22  GLN   4          HE22      GLN   4   1.009 -11.076  -2.353
   28    H    GLU   5           HN       GLU   5   4.709 -11.851  -0.438
   29    HA   GLU   5           HA       GLU   5   2.107 -10.844   0.144
   30    HB2  GLU   5           HB2      GLU   5   3.576 -13.212   1.283
   31    HB3  GLU   5           HB1      GLU   5   1.908 -12.808   1.658
   32    HG2  GLU   5           HG2      GLU   5   1.385 -12.987  -0.760
   33    HG3  GLU   5           HG1      GLU   5   3.033 -13.550  -1.025
   34    H    GLU   6           HN       GLU   6   5.165 -10.565   1.672
   35    HA   GLU   6           HA       GLU   6   4.109  -9.889   4.227
   36    HB2  GLU   6           HB2      GLU   6   6.799  -9.310   3.053
   37    HB3  GLU   6           HB1      GLU   6   6.354  -8.910   4.700
   38    HG2  GLU   6           HG2      GLU   6   5.952 -11.259   5.178
   39    HG3  GLU   6           HG1      GLU   6   6.378 -11.668   3.514
   40    H    ILE   7           HN       ILE   7   5.287  -7.905   1.453
   41    HA   ILE   7           HA       ILE   7   4.640  -5.430   2.554
   42    HB   ILE   7           HB       ILE   7   4.582  -6.380  -0.320
   43   HG12  ILE   7          HG12      ILE   7   6.682  -4.838   1.186
   44   HG13  ILE   7          HG11      ILE   7   6.726  -6.579   0.921
   45   HG21  ILE   7          HG21      ILE   7   4.619  -3.557   0.774
   46   HG22  ILE   7          HG22      ILE   7   3.262  -4.326  -0.054
   47   HG23  ILE   7          HG23      ILE   7   4.761  -4.006  -0.928
   48   HD11  ILE   7          HD11      ILE   7   6.742  -4.456  -1.190
   49   HD12  ILE   7          HD12      ILE   7   6.745  -6.191  -1.477
   50   HD13  ILE   7          HD13      ILE   7   8.113  -5.433  -0.672
   51    H    VAL   8           HN       VAL   8   2.808  -7.659   0.578
   52    HA   VAL   8           HA       VAL   8   0.438  -6.188   0.340
   53    HB   VAL   8           HB       VAL   8   0.813  -9.202   0.351
   54   HG11  VAL   8          HG11      VAL   8  -1.508  -8.685   1.043
   55   HG12  VAL   8          HG12      VAL   8  -1.453  -9.377  -0.579
   56   HG13  VAL   8          HG13      VAL   8  -1.687  -7.641  -0.367
   57   HG21  VAL   8          HG21      VAL   8   0.421  -8.911  -2.050
   58   HG22  VAL   8          HG22      VAL   8   1.820  -8.011  -1.475
   59   HG23  VAL   8          HG23      VAL   8   0.308  -7.168  -1.799
   60    H    ALA   9           HN       ALA   9   1.071  -8.746   2.765
   61    HA   ALA   9           HA       ALA   9  -1.306  -8.348   4.200
   62    HB1  ALA   9           HB1      ALA   9   1.324  -9.414   5.223
   63    HB2  ALA   9           HB2      ALA   9   0.078 -10.361   4.407
   64    HB3  ALA   9           HB3      ALA   9  -0.255  -9.634   5.982
   65    H    GLY  10           HN       GLY  10   1.749  -6.676   4.330
   66    HA2  GLY  10           HA2      GLY  10   1.365  -5.441   6.847
   67    HA3  GLY  10           HA1      GLY  10   2.533  -4.974   5.611
   68    H    LEU  11           HN       LEU  11   0.981  -4.405   3.498
   69    HA   LEU  11           HA       LEU  11  -0.107  -1.841   4.077
   70    HB2  LEU  11           HB2      LEU  11  -0.603  -3.662   1.717
   71    HB3  LEU  11           HB1      LEU  11  -1.017  -1.967   1.787
   72    HG   LEU  11           HG       LEU  11   1.790  -3.076   1.838
   73   HD11  LEU  11          HD11      LEU  11   0.245  -1.708  -0.362
   74   HD12  LEU  11          HD12      LEU  11   0.703  -3.408  -0.314
   75   HD13  LEU  11          HD13      LEU  11   1.949  -2.162  -0.427
   76   HD21  LEU  11          HD21      LEU  11   0.777  -0.242   1.638
   77   HD22  LEU  11          HD22      LEU  11   2.465  -0.749   1.531
   78   HD23  LEU  11          HD23      LEU  11   1.574  -0.959   3.038
   79    H    ALA  12           HN       ALA  12  -1.516  -4.985   3.434
   80    HA   ALA  12           HA       ALA  12  -4.180  -4.303   3.437
   81    HB1  ALA  12           HB1      ALA  12  -3.006  -6.890   4.380
   82    HB2  ALA  12           HB2      ALA  12  -3.345  -6.447   2.696
   83    HB3  ALA  12           HB3      ALA  12  -4.667  -6.587   3.861
   84    H    GLU  13           HN       GLU  13  -2.206  -5.383   6.235
   85    HA   GLU  13           HA       GLU  13  -4.380  -5.356   7.991
   86    HB2  GLU  13           HB2      GLU  13  -2.750  -5.281   9.842
   87    HB3  GLU  13           HB1      GLU  13  -2.370  -6.509   8.651
   88    HG2  GLU  13           HG2      GLU  13  -0.634  -5.151   7.726
   89    HG3  GLU  13           HG1      GLU  13  -1.079  -3.806   8.774
   90    H    ILE  14           HN       ILE  14  -2.254  -2.838   7.050
   91    HA   ILE  14           HA       ILE  14  -3.201  -0.877   8.896
   92    HB   ILE  14           HB       ILE  14  -2.056  -0.427   6.109
   93   HG12  ILE  14          HG12      ILE  14  -0.546  -0.475   8.714
   94   HG13  ILE  14          HG11      ILE  14  -0.715  -1.902   7.695
   95   HG21  ILE  14          HG21      ILE  14  -3.106   1.542   7.167
   96   HG22  ILE  14          HG22      ILE  14  -1.353   1.729   7.078
   97   HG23  ILE  14          HG23      ILE  14  -2.121   1.287   8.609
   98   HD11  ILE  14          HD11      ILE  14   0.547   0.702   6.892
   99   HD12  ILE  14          HD12      ILE  14   0.351  -0.745   5.886
  100   HD13  ILE  14          HD13      ILE  14   1.386  -0.803   7.315
  101    H    VAL  15           HN       VAL  15  -3.963  -1.576   5.516
  102    HA   VAL  15           HA       VAL  15  -6.080   0.108   5.016
  103    HB   VAL  15           HB       VAL  15  -5.606  -2.722   4.030
  104   HG11  VAL  15          HG11      VAL  15  -7.102  -2.160   2.198
  105   HG12  VAL  15          HG12      VAL  15  -7.454  -0.609   2.948
  106   HG13  VAL  15          HG13      VAL  15  -7.938  -2.106   3.742
  107   HG21  VAL  15          HG21      VAL  15  -4.840  -1.583   2.048
  108   HG22  VAL  15          HG22      VAL  15  -3.841  -1.246   3.458
  109   HG23  VAL  15          HG23      VAL  15  -4.979  -0.020   2.869
  110    H    ASN  16           HN       ASN  16  -6.131  -3.131   6.434
  111    HA   ASN  16           HA       ASN  16  -8.886  -3.503   6.780
  112    HB2  ASN  16           HB2      ASN  16  -6.564  -4.420   8.432
  113    HB3  ASN  16           HB1      ASN  16  -8.182  -4.775   9.000
  114   HD21  ASN  16          HD21      ASN  16  -6.721  -5.010   5.744
  115   HD22  ASN  16          HD22      ASN  16  -6.959  -6.700   5.623
  116    H    GLU  17           HN       GLU  17  -6.558  -1.823   8.793
  117    HA   GLU  17           HA       GLU  17  -8.317  -1.247  10.923
  118    HB2  GLU  17           HB2      GLU  17  -5.644  -0.074  10.170
  119    HB3  GLU  17           HB1      GLU  17  -6.501   0.305  11.652
  120    HG2  GLU  17           HG2      GLU  17  -6.348  -1.983  12.388
  121    HG3  GLU  17           HG1      GLU  17  -5.626  -2.462  10.853
  122    H    ILE  18           HN       ILE  18  -7.124   0.775   8.213
  123    HA   ILE  18           HA       ILE  18  -8.787   2.984   9.258
  124    HB   ILE  18           HB       ILE  18  -7.355   3.153   6.653
  125   HG12  ILE  18          HG12      ILE  18  -5.952   3.574   9.299
  126   HG13  ILE  18          HG11      ILE  18  -5.743   2.125   8.310
  127   HG21  ILE  18          HG21      ILE  18  -8.738   5.003   7.399
  128   HG22  ILE  18          HG22      ILE  18  -7.038   5.476   7.407
  129   HG23  ILE  18          HG23      ILE  18  -7.852   5.081   8.922
  130   HD11  ILE  18          HD11      ILE  18  -3.942   3.714   7.956
  131   HD12  ILE  18          HD12      ILE  18  -5.133   4.947   7.505
  132   HD13  ILE  18          HD13      ILE  18  -4.925   3.540   6.497
  133    H    ALA  19           HN       ALA  19  -8.319   1.353   6.107
  134    HA   ALA  19           HA       ALA  19 -10.641   2.648   4.985
  135    HB1  ALA  19           HB1      ALA  19 -10.075   1.468   2.951
  136    HB2  ALA  19           HB2      ALA  19  -8.892   0.498   3.824
  137    HB3  ALA  19           HB3      ALA  19  -8.648   2.236   3.645
  138    H    GLY  20           HN       GLY  20  -9.769  -0.544   6.032
  139    HA2  GLY  20           HA2      GLY  20 -11.350  -1.965   7.011
  140    HA3  GLY  20           HA1      GLY  20 -12.602  -1.186   6.057
  141    H    ILE  21           HN       ILE  21  -9.834  -1.887   4.001
  142    HA   ILE  21           HA       ILE  21 -11.400  -3.987   2.906
  143    HB   ILE  21           HB       ILE  21  -8.676  -2.949   2.134
  144   HG12  ILE  21          HG12      ILE  21 -10.419  -1.377   1.748
  145   HG13  ILE  21          HG11      ILE  21  -9.988  -2.107   0.202
  146   HG21  ILE  21          HG21      ILE  21  -8.952  -4.330   0.118
  147   HG22  ILE  21          HG22      ILE  21 -10.459  -4.974   0.771
  148   HG23  ILE  21          HG23      ILE  21  -8.933  -5.322   1.572
  149   HD11  ILE  21          HD11      ILE  21 -12.367  -2.682   1.908
  150   HD12  ILE  21          HD12      ILE  21 -11.863  -3.688   0.557
  151   HD13  ILE  21          HD13      ILE  21 -12.335  -2.011   0.256
  152    HA   PRO  22           HA       PRO  22  -9.477  -6.920   5.675
  153    HB2  PRO  22           HB2      PRO  22 -10.646  -8.967   3.915
  154    HB3  PRO  22           HB1      PRO  22 -10.959  -8.645   5.622
  155    HG2  PRO  22           HG2      PRO  22 -12.743  -8.111   3.721
  156    HG3  PRO  22           HG1      PRO  22 -12.586  -7.084   5.162
  157    HD2  PRO  22           HD2      PRO  22 -11.572  -6.626   2.383
  158    HD3  PRO  22           HD1      PRO  22 -12.298  -5.471   3.522
  159    H    VAL  23           HN       VAL  23  -7.969  -8.762   5.589
  160    HA   VAL  23           HA       VAL  23  -5.891  -8.159   3.751
  161    HB   VAL  23           HB       VAL  23  -4.599 -10.035   4.823
  162   HG11  VAL  23          HG11      VAL  23  -4.382  -8.982   7.017
  163   HG12  VAL  23          HG12      VAL  23  -5.874  -8.086   6.735
  164   HG13  VAL  23          HG13      VAL  23  -4.461  -7.782   5.727
  165   HG21  VAL  23          HG21      VAL  23  -6.446 -11.514   5.363
  166   HG22  VAL  23          HG22      VAL  23  -7.098 -10.322   6.480
  167   HG23  VAL  23          HG23      VAL  23  -5.553 -11.106   6.831
  168    H    GLU  24           HN       GLU  24  -8.364 -10.498   3.811
  169    HA   GLU  24           HA       GLU  24  -7.212 -12.200   1.847
  170    HB2  GLU  24           HB2      GLU  24  -9.537 -13.141   1.611
  171    HB3  GLU  24           HB1      GLU  24  -8.865 -13.222   3.224
  172    HG2  GLU  24           HG2      GLU  24 -10.622 -10.923   2.504
  173    HG3  GLU  24           HG1      GLU  24 -11.347 -12.499   2.813
  174    H    ASP  25           HN       ASP  25  -9.059  -9.308   1.787
  175    HA   ASP  25           HA       ASP  25  -9.847  -9.619  -0.962
  176    HB2  ASP  25           HB2      ASP  25 -11.186  -8.407   0.855
  177    HB3  ASP  25           HB1      ASP  25 -10.018  -7.104   0.712
  178    H    VAL  26           HN       VAL  26  -7.494  -7.595   0.879
  179    HA   VAL  26           HA       VAL  26  -6.313  -6.336  -1.307
  180    HB   VAL  26           HB       VAL  26  -5.103  -7.092   1.370
  181   HG11  VAL  26          HG11      VAL  26  -4.106  -5.115  -0.700
  182   HG12  VAL  26          HG12      VAL  26  -3.347  -6.644  -0.274
  183   HG13  VAL  26          HG13      VAL  26  -3.428  -5.345   0.913
  184   HG21  VAL  26          HG21      VAL  26  -6.320  -4.513   0.403
  185   HG22  VAL  26          HG22      VAL  26  -5.567  -4.758   1.979
  186   HG23  VAL  26          HG23      VAL  26  -7.049  -5.622   1.560
  187    H    LYS  27           HN       LYS  27  -5.919  -7.755  -2.947
  188    HA   LYS  27           HA       LYS  27  -3.478  -9.299  -2.554
  189    HB2  LYS  27           HB2      LYS  27  -5.804  -9.975  -4.369
  190    HB3  LYS  27           HB1      LYS  27  -4.224 -10.741  -4.509
  191    HG2  LYS  27           HG2      LYS  27  -6.063 -10.861  -2.118
  192    HG3  LYS  27           HG1      LYS  27  -5.737 -12.168  -3.267
  193    HD2  LYS  27           HD2      LYS  27  -3.379 -12.198  -2.575
  194    HD3  LYS  27           HD1      LYS  27  -3.668 -10.868  -1.463
  195    HE2  LYS  27           HE2      LYS  27  -4.853 -13.618  -1.276
  196    HE3  LYS  27           HE1      LYS  27  -3.578 -12.901  -0.282
  197    HZ1  LYS  27           HZ1      LYS  27  -6.361 -11.915  -0.424
  198    HZ2  LYS  27           HZ2      LYS  27  -5.131 -11.319   0.592
  199    HZ3  LYS  27           HZ3      LYS  27  -5.711 -12.899   0.771
  200    H    LEU  28           HN       LEU  28  -2.353  -9.539  -4.869
  201    HA   LEU  28           HA       LEU  28  -1.513  -6.822  -5.035
  202    HB2  LEU  28           HB2      LEU  28   0.409  -7.613  -6.091
  203    HB3  LEU  28           HB1      LEU  28  -0.143  -8.934  -5.082
  204    HG   LEU  28           HG       LEU  28  -1.218  -9.833  -7.245
  205   HD11  LEU  28          HD11      LEU  28  -0.823  -7.895  -8.634
  206   HD12  LEU  28          HD12      LEU  28   0.073  -9.272  -9.293
  207   HD13  LEU  28          HD13      LEU  28   0.909  -8.014  -8.365
  208   HD21  LEU  28          HD21      LEU  28   1.766  -9.894  -6.787
  209   HD22  LEU  28          HD22      LEU  28   0.859 -11.049  -7.766
  210   HD23  LEU  28          HD23      LEU  28   0.569 -10.945  -6.028
  211    H    ASP  29           HN       ASP  29  -3.783  -8.534  -6.749
  212    HA   ASP  29           HA       ASP  29  -3.529  -7.197  -9.320
  213    HB2  ASP  29           HB2      ASP  29  -5.410  -9.167  -8.107
  214    HB3  ASP  29           HB1      ASP  29  -5.566  -8.613  -9.787
  215    H    LYS  30           HN       LYS  30  -4.503  -6.207  -6.409
  216    HA   LYS  30           HA       LYS  30  -7.129  -5.358  -7.212
  217    HB2  LYS  30           HB2      LYS  30  -5.928  -6.134  -4.598
  218    HB3  LYS  30           HB1      LYS  30  -7.271  -5.009  -4.636
  219    HG2  LYS  30           HG2      LYS  30  -7.896  -7.398  -4.234
  220    HG3  LYS  30           HG1      LYS  30  -8.721  -6.637  -5.584
  221    HD2  LYS  30           HD2      LYS  30  -7.123  -7.728  -7.105
  222    HD3  LYS  30           HD1      LYS  30  -6.392  -8.527  -5.718
  223    HE2  LYS  30           HE2      LYS  30  -7.998  -9.953  -6.957
  224    HE3  LYS  30           HE1      LYS  30  -8.449  -9.708  -5.268
  225    HZ1  LYS  30           HZ1      LYS  30 -10.227  -9.479  -7.097
  226    HZ2  LYS  30           HZ2      LYS  30  -9.619  -7.895  -7.309
  227    HZ3  LYS  30           HZ3      LYS  30 -10.186  -8.402  -5.820
  228    H    SER  31           HN       SER  31  -7.137  -3.508  -7.817
  229    HA   SER  31           HA       SER  31  -5.371  -1.426  -7.001
  230    HB2  SER  31           HB2      SER  31  -6.657  -1.482  -9.171
  231    HB3  SER  31           HB1      SER  31  -8.131  -1.218  -8.246
  232    HG   SER  31           HG       SER  31  -5.892   0.526  -8.215
  233    H    PHE  32           HN       PHE  32  -5.398  -0.969  -4.891
  234    HA   PHE  32           HA       PHE  32  -7.212  -1.381  -2.950
  235    HB2  PHE  32           HB2      PHE  32  -5.315   0.876  -3.263
  236    HB3  PHE  32           HB1      PHE  32  -6.374   0.801  -1.858
  237    HD1  PHE  32           HD1      PHE  32  -6.177  -1.154  -0.347
  238    HD2  PHE  32           HD2      PHE  32  -3.319  -0.387  -3.395
  239    HE1  PHE  32           HE1      PHE  32  -4.596  -2.542   0.827
  240    HE2  PHE  32           HE2      PHE  32  -1.710  -1.772  -2.256
  241    HZ   PHE  32           HZ       PHE  32  -2.307  -2.878  -0.106
  242    H    THR  33           HN       THR  33  -7.254   1.624  -4.866
  243    HA   THR  33           HA       THR  33  -9.714   2.301  -3.482
  244    HB   THR  33           HB       THR  33  -7.803   3.945  -3.636
  245    HG1  THR  33           HG1      THR  33 -10.030   4.490  -3.312
  246   HG21  THR  33          HG21      THR  33  -7.115   3.536  -5.946
  247   HG22  THR  33          HG22      THR  33  -7.535   5.234  -5.719
  248   HG23  THR  33          HG23      THR  33  -8.665   4.148  -6.528
  249    H    ASP  34           HN       ASP  34  -9.619   0.225  -5.615
  250    HA   ASP  34           HA       ASP  34 -11.783   1.298  -7.272
  251    HB2  ASP  34           HB2      ASP  34  -9.720   1.754  -8.548
  252    HB3  ASP  34           HB1      ASP  34  -9.310   0.050  -8.494
  253    H    ASP  35           HN       ASP  35  -9.750  -1.517  -6.638
  254    HA   ASP  35           HA       ASP  35 -11.799  -3.449  -7.414
  255    HB2  ASP  35           HB2      ASP  35  -9.232  -3.749  -7.591
  256    HB3  ASP  35           HB1      ASP  35  -9.231  -3.980  -5.904
  257    H    LEU  36           HN       LEU  36  -9.962  -2.551  -4.622
  258    HA   LEU  36           HA       LEU  36 -11.337  -4.203  -2.786
  259    HB2  LEU  36           HB2      LEU  36  -9.519  -1.867  -2.309
  260    HB3  LEU  36           HB1      LEU  36  -9.993  -3.064  -1.120
  261    HG   LEU  36           HG       LEU  36  -8.250  -3.518  -3.553
  262   HD11  LEU  36          HD11      LEU  36  -7.672  -3.778  -0.650
  263   HD12  LEU  36          HD12      LEU  36  -7.135  -2.471  -1.687
  264   HD13  LEU  36          HD13      LEU  36  -6.569  -4.115  -1.979
  265   HD21  LEU  36          HD21      LEU  36  -9.263  -5.500  -1.551
  266   HD22  LEU  36          HD22      LEU  36  -8.079  -5.805  -2.824
  267   HD23  LEU  36          HD23      LEU  36  -9.741  -5.397  -3.242
  268    H    ASP  37           HN       ASP  37 -10.925  -0.840  -2.394
  269    HA   ASP  37           HA       ASP  37 -13.400   0.325  -2.760
  270    HB2  ASP  37           HB2      ASP  37 -14.320  -1.435  -1.073
  271    HB3  ASP  37           HB1      ASP  37 -13.438  -0.530   0.150
  272    H    VAL  38           HN       VAL  38 -10.650   0.059  -0.798
  273    HA   VAL  38           HA       VAL  38 -10.394   1.964   1.026
  274    HB   VAL  38           HB       VAL  38  -8.436   1.300  -1.153
  275   HG11  VAL  38          HG11      VAL  38  -7.866   2.856   1.388
  276   HG12  VAL  38          HG12      VAL  38  -7.815   3.525  -0.241
  277   HG13  VAL  38          HG13      VAL  38  -6.650   2.290   0.242
  278   HG21  VAL  38          HG21      VAL  38  -7.338   0.056   0.621
  279   HG22  VAL  38          HG22      VAL  38  -8.969  -0.498   0.247
  280   HG23  VAL  38          HG23      VAL  38  -8.672   0.472   1.690
  281    H    ASP  39           HN       ASP  39 -10.671   4.082   1.295
  282    HA   ASP  39           HA       ASP  39 -11.861   5.589  -0.755
  283    HB2  ASP  39           HB2      ASP  39 -12.065   7.275   1.038
  284    HB3  ASP  39           HB1      ASP  39 -12.703   5.697   1.474
  285    H    SER  40           HN       SER  40  -8.737   5.045  -0.150
  286    HA   SER  40           HA       SER  40  -6.792   5.822  -0.806
  287    HB2  SER  40           HB2      SER  40  -6.535   7.617  -2.452
  288    HB3  SER  40           HB1      SER  40  -7.913   6.593  -2.896
  289    H    LEU  41           HN       LEU  41  -8.690   7.394   1.297
  290    HA   LEU  41           HA       LEU  41  -6.830   9.529   1.950
  291    HB2  LEU  41           HB2      LEU  41  -9.465   8.732   3.172
  292    HB3  LEU  41           HB1      LEU  41  -8.539  10.171   3.585
  293    HG   LEU  41           HG       LEU  41  -8.972  10.011   0.763
  294   HD11  LEU  41          HD11      LEU  41 -11.361  10.423   0.755
  295   HD12  LEU  41          HD12      LEU  41 -11.432   9.844   2.442
  296   HD13  LEU  41          HD13      LEU  41 -10.833   8.794   1.132
  297   HD21  LEU  41          HD21      LEU  41  -9.846  12.008   2.850
  298   HD22  LEU  41          HD22      LEU  41  -9.866  12.272   1.107
  299   HD23  LEU  41          HD23      LEU  41  -8.333  12.040   1.946
  300    H    SER  42           HN       SER  42  -8.028   6.475   3.002
  301    HA   SER  42           HA       SER  42  -6.677   6.296   5.438
  302    HB2  SER  42           HB2      SER  42  -6.923   3.777   4.806
  303    HB3  SER  42           HB1      SER  42  -8.394   4.732   5.083
  304    HG   SER  42           HG       SER  42  -8.719   4.864   2.952
  305    H    MET  43           HN       MET  43  -5.824   6.038   2.114
  306    HA   MET  43           HA       MET  43  -3.609   4.340   2.281
  307    HB2  MET  43           HB2      MET  43  -4.827   4.919   0.196
  308    HB3  MET  43           HB1      MET  43  -4.103   6.523   0.266
  309    HG2  MET  43           HG2      MET  43  -2.899   5.118  -1.262
  310    HG3  MET  43           HG1      MET  43  -1.892   5.512   0.146
  311    HE1  MET  43           HE1      MET  43  -4.051   1.498  -0.436
  312    HE2  MET  43           HE2      MET  43  -4.136   2.872  -1.554
  313    HE3  MET  43           HE3      MET  43  -4.854   2.997   0.045
  314    H    VAL  44           HN       VAL  44  -4.069   7.745   2.756
  315    HA   VAL  44           HA       VAL  44  -1.485   8.595   2.576
  316    HB   VAL  44           HB       VAL  44  -3.617   9.636   4.481
  317   HG11  VAL  44          HG11      VAL  44  -1.205  11.060   3.374
  318   HG12  VAL  44          HG12      VAL  44  -1.449  10.551   5.045
  319   HG13  VAL  44          HG13      VAL  44  -2.484  11.794   4.342
  320   HG21  VAL  44          HG21      VAL  44  -4.446   9.567   2.208
  321   HG22  VAL  44          HG22      VAL  44  -3.032  10.392   1.621
  322   HG23  VAL  44          HG23      VAL  44  -4.161  11.239   2.678
  323    H    GLU  45           HN       GLU  45  -3.325   7.268   5.316
  324    HA   GLU  45           HA       GLU  45  -1.162   7.490   7.180
  325    HB2  GLU  45           HB2      GLU  45  -3.846   6.129   7.388
  326    HB3  GLU  45           HB1      GLU  45  -2.733   6.409   8.723
  327    HG2  GLU  45           HG2      GLU  45  -4.086   8.535   7.076
  328    HG3  GLU  45           HG1      GLU  45  -4.558   8.020   8.695
  329    H    VAL  46           HN       VAL  46  -2.413   5.188   4.924
  330    HA   VAL  46           HA       VAL  46  -1.178   2.877   6.060
  331    HB   VAL  46           HB       VAL  46  -1.976   3.333   3.126
  332   HG11  VAL  46          HG11      VAL  46  -0.391   1.471   3.352
  333   HG12  VAL  46          HG12      VAL  46  -2.028   0.901   2.953
  334   HG13  VAL  46          HG13      VAL  46  -1.440   0.770   4.599
  335   HG21  VAL  46          HG21      VAL  46  -3.966   1.975   3.645
  336   HG22  VAL  46          HG22      VAL  46  -3.921   3.486   4.557
  337   HG23  VAL  46          HG23      VAL  46  -3.496   1.969   5.345
  338    H    VAL  47           HN       VAL  47  -0.251   5.429   3.927
  339    HA   VAL  47           HA       VAL  47   2.255   4.549   2.984
  340    HB   VAL  47           HB       VAL  47   1.042   7.288   3.485
  341   HG11  VAL  47          HG11      VAL  47   2.885   8.280   2.235
  342   HG12  VAL  47          HG12      VAL  47   3.686   6.711   2.161
  343   HG13  VAL  47          HG13      VAL  47   3.466   7.515   3.714
  344   HG21  VAL  47          HG21      VAL  47   0.087   6.021   1.669
  345   HG22  VAL  47          HG22      VAL  47   1.687   5.786   0.966
  346   HG23  VAL  47          HG23      VAL  47   0.989   7.404   1.050
  347    H    VAL  48           HN       VAL  48   1.674   6.818   5.668
  348    HA   VAL  48           HA       VAL  48   4.356   6.719   6.469
  349    HB   VAL  48           HB       VAL  48   1.928   7.567   8.092
  350   HG11  VAL  48          HG11      VAL  48   4.853   8.093   8.667
  351   HG12  VAL  48          HG12      VAL  48   3.803   7.030   9.604
  352   HG13  VAL  48          HG13      VAL  48   3.483   8.764   9.555
  353   HG21  VAL  48          HG21      VAL  48   2.290   8.843   6.085
  354   HG22  VAL  48          HG22      VAL  48   3.977   9.085   6.522
  355   HG23  VAL  48          HG23      VAL  48   2.698   9.822   7.501
  356    H    ALA  49           HN       ALA  49   1.804   4.592   7.107
  357    HA   ALA  49           HA       ALA  49   3.100   3.296   9.341
  358    HB1  ALA  49           HB1      ALA  49   0.657   3.259   9.140
  359    HB2  ALA  49           HB2      ALA  49   1.306   1.617   9.143
  360    HB3  ALA  49           HB3      ALA  49   0.788   2.362   7.633
  361    H    ALA  50           HN       ALA  50   2.691   2.658   5.881
  362    HA   ALA  50           HA       ALA  50   4.111   0.211   5.839
  363    HB1  ALA  50           HB1      ALA  50   4.076   0.456   3.423
  364    HB2  ALA  50           HB2      ALA  50   3.552   2.133   3.590
  365    HB3  ALA  50           HB3      ALA  50   2.492   0.821   4.109
  366    H    GLU  51           HN       GLU  51   4.997   3.560   5.260
  367    HA   GLU  51           HA       GLU  51   7.577   3.110   4.286
  368    HB2  GLU  51           HB2      GLU  51   6.582   5.407   5.915
  369    HB3  GLU  51           HB1      GLU  51   8.059   5.388   4.991
  370    HG2  GLU  51           HG2      GLU  51   6.787   5.164   2.927
  371    HG3  GLU  51           HG1      GLU  51   5.287   5.171   3.852
  372    H    GLU  52           HN       GLU  52   6.227   3.290   7.432
  373    HA   GLU  52           HA       GLU  52   8.749   3.549   8.784
  374    HB2  GLU  52           HB2      GLU  52   6.421   4.372   9.535
  375    HB3  GLU  52           HB1      GLU  52   6.169   2.722  10.080
  376    HG2  GLU  52           HG2      GLU  52   6.893   4.202  11.859
  377    HG3  GLU  52           HG1      GLU  52   8.058   2.899  11.574
  378    H    ARG  53           HN       ARG  53   6.571   0.965   7.934
  379    HA   ARG  53           HA       ARG  53   8.063  -0.948   9.515
  380    HB2  ARG  53           HB2      ARG  53   6.424  -2.585   8.839
  381    HB3  ARG  53           HB1      ARG  53   5.647  -1.092   9.373
  382    HG2  ARG  53           HG2      ARG  53   5.051  -0.497   7.195
  383    HG3  ARG  53           HG1      ARG  53   6.080  -1.744   6.488
  384    HD2  ARG  53           HD2      ARG  53   3.721  -2.352   6.449
  385    HD3  ARG  53           HD1      ARG  53   4.698  -3.460   7.412
  386    HE   ARG  53           HE       ARG  53   3.329  -1.291   8.797
  387   HH11  ARG  53          HH11      ARG  53   3.453  -4.812   8.104
  388   HH12  ARG  53          HH12      ARG  53   2.259  -5.172   9.253
  389   HH21  ARG  53          HH21      ARG  53   1.745  -1.851  10.385
  390   HH22  ARG  53          HH22      ARG  53   1.247  -3.484  10.541
  391    H    PHE  54           HN       PHE  54   7.806  -0.027   6.163
  392    HA   PHE  54           HA       PHE  54   9.412  -2.322   5.402
  393    HB2  PHE  54           HB2      PHE  54   8.041  -0.274   3.668
  394    HB3  PHE  54           HB1      PHE  54   8.970  -1.649   3.084
  395    HD1  PHE  54           HD1      PHE  54   8.155  -3.901   4.557
  396    HD2  PHE  54           HD2      PHE  54   5.802  -0.585   3.320
  397    HE1  PHE  54           HE1      PHE  54   6.135  -5.309   4.616
  398    HE2  PHE  54           HE2      PHE  54   3.784  -1.987   3.388
  399    HZ   PHE  54           HZ       PHE  54   3.953  -4.345   4.036
  400    H    ASP  55           HN       ASP  55   9.796   1.020   6.066
  401    HA   ASP  55           HA       ASP  55  11.473   2.481   5.965
  402    HB2  ASP  55           HB2      ASP  55  12.733   0.652   7.143
  403    HB3  ASP  55           HB1      ASP  55  13.299   0.077   5.578
  404    H    VAL  56           HN       VAL  56  10.264   1.200   3.538
  405    HA   VAL  56           HA       VAL  56  12.159   1.659   1.427
  406    HB   VAL  56           HB       VAL  56   9.242   0.892   1.477
  407   HG11  VAL  56          HG11      VAL  56   9.270   0.737  -0.903
  408   HG12  VAL  56          HG12      VAL  56  10.992   1.127  -0.948
  409   HG13  VAL  56          HG13      VAL  56   9.816   2.372  -0.520
  410   HG21  VAL  56          HG21      VAL  56  11.734  -0.414   0.614
  411   HG22  VAL  56          HG22      VAL  56  10.106  -1.114   0.511
  412   HG23  VAL  56          HG23      VAL  56  10.827  -0.756   2.096
  413    H    LYS  57           HN       LYS  57   9.403   3.168   2.779
  414    HA   LYS  57           HA       LYS  57   8.622   5.329   2.829
  415    HB2  LYS  57           HB2      LYS  57  11.163   5.778   3.065
  416    HB3  LYS  57           HB1      LYS  57  11.104   6.227   1.369
  417    HG2  LYS  57           HG2      LYS  57  10.923   8.255   2.504
  418    HG3  LYS  57           HG1      LYS  57   9.255   7.818   2.068
  419    HD2  LYS  57           HD2      LYS  57   8.843   6.945   4.260
  420    HD3  LYS  57           HD1      LYS  57  10.518   7.225   4.743
  421    HE2  LYS  57           HE2      LYS  57   8.433   9.284   4.061
  422    HE3  LYS  57           HE1      LYS  57   9.082   8.928   5.660
  423    HZ1  LYS  57           HZ1      LYS  57  10.492  10.143   3.364
  424    HZ2  LYS  57           HZ2      LYS  57  11.305   9.574   4.739
  425    HZ3  LYS  57           HZ3      LYS  57  10.202  10.852   4.873
  426    H    ILE  58           HN       ILE  58   6.880   5.121   1.436
  427    HA   ILE  58           HA       ILE  58   7.325   6.029  -1.322
  428    HB   ILE  58           HB       ILE  58   4.837   4.454  -0.665
  429   HG12  ILE  58          HG12      ILE  58   5.998   2.391  -1.717
  430   HG13  ILE  58          HG11      ILE  58   7.512   3.203  -1.333
  431   HG21  ILE  58          HG21      ILE  58   6.261   4.941  -3.246
  432   HG22  ILE  58          HG22      ILE  58   4.751   5.658  -2.680
  433   HG23  ILE  58          HG23      ILE  58   4.814   3.968  -3.043
  434   HD11  ILE  58          HD11      ILE  58   6.946   1.563   0.359
  435   HD12  ILE  58          HD12      ILE  58   5.417   2.407   0.660
  436   HD13  ILE  58          HD13      ILE  58   6.947   3.210   1.009
  437    HA   PRO  59           HA       PRO  59   4.819   9.126   0.863
  438    HB2  PRO  59           HB2      PRO  59   5.021  10.856  -1.285
  439    HB3  PRO  59           HB1      PRO  59   6.188  10.805   0.045
  440    HG2  PRO  59           HG2      PRO  59   6.324   9.511  -2.657
  441    HG3  PRO  59           HG1      PRO  59   7.612  10.363  -1.766
  442    HD2  PRO  59           HD2      PRO  59   7.501   7.688  -1.867
  443    HD3  PRO  59           HD1      PRO  59   7.958   8.528  -0.363
  444    H    ASP  60           HN       ASP  60   2.608   9.648   0.458
  445    HA   ASP  60           HA       ASP  60   1.113   7.993  -1.178
  446    HB2  ASP  60           HB2      ASP  60  -0.826   9.404  -0.841
  447    HB3  ASP  60           HB1      ASP  60   0.072   9.378   0.654
  448    H    ASP  61           HN       ASP  61   2.828  10.745  -2.005
  449    HA   ASP  61           HA       ASP  61   1.645  11.527  -4.457
  450    HB2  ASP  61           HB2      ASP  61   3.257  12.972  -3.371
  451    HB3  ASP  61           HB1      ASP  61   4.511  11.741  -3.525
  452    H    ASP  62           HN       ASP  62   4.046   9.188  -3.637
  453    HA   ASP  62           HA       ASP  62   4.596   8.568  -6.474
  454    HB2  ASP  62           HB2      ASP  62   6.412   8.661  -4.566
  455    HB3  ASP  62           HB1      ASP  62   5.822   7.055  -4.165
  456    H    VAL  63           HN       VAL  63   3.043   7.485  -3.704
  457    HA   VAL  63           HA       VAL  63   2.195   4.920  -4.254
  458    HB   VAL  63           HB       VAL  63   1.121   7.214  -2.647
  459   HG11  VAL  63          HG11      VAL  63  -0.345   4.575  -2.782
  460   HG12  VAL  63          HG12      VAL  63  -0.937   6.110  -3.440
  461   HG13  VAL  63          HG13      VAL  63  -0.678   5.942  -1.709
  462   HG21  VAL  63          HG21      VAL  63   2.956   5.965  -1.783
  463   HG22  VAL  63          HG22      VAL  63   2.050   4.457  -1.942
  464   HG23  VAL  63          HG23      VAL  63   1.524   5.688  -0.793
  465    H    LYS  64           HN       LYS  64   1.292   7.883  -5.790
  466    HA   LYS  64           HA       LYS  64  -1.173   7.001  -6.694
  467    HB2  LYS  64           HB2      LYS  64  -1.292   8.879  -8.218
  468    HB3  LYS  64           HB1      LYS  64  -0.480   9.433  -6.758
  469    HG2  LYS  64           HG2      LYS  64   1.635   9.384  -7.888
  470    HG3  LYS  64           HG1      LYS  64   0.899   8.643  -9.315
  471    HD2  LYS  64           HD2      LYS  64   1.051  10.888  -9.861
  472    HD3  LYS  64           HD1      LYS  64  -0.629  10.670  -9.338
  473    HE2  LYS  64           HE2      LYS  64   0.028  12.667  -8.293
  474    HE3  LYS  64           HE1      LYS  64   0.238  11.448  -7.032
  475    HZ1  LYS  64           HZ1      LYS  64   2.344  12.550  -8.785
  476    HZ2  LYS  64           HZ2      LYS  64   2.621  11.340  -7.669
  477    HZ3  LYS  64           HZ3      LYS  64   2.188  12.895  -7.146
  478    H    ASN  65           HN       ASN  65   1.966   6.404  -7.641
  479    HA   ASN  65           HA       ASN  65   1.471   5.612 -10.398
  480    HB2  ASN  65           HB2      ASN  65   3.976   5.504  -8.687
  481    HB3  ASN  65           HB1      ASN  65   3.900   5.234 -10.423
  482   HD21  ASN  65          HD21      ASN  65   5.229   7.282  -8.574
  483   HD22  ASN  65          HD22      ASN  65   4.840   8.790  -9.311
  484    H    LEU  66           HN       LEU  66   0.992   4.409  -7.412
  485    HA   LEU  66           HA       LEU  66   1.642   1.624  -8.136
  486    HB2  LEU  66           HB2      LEU  66   1.434   2.820  -5.402
  487    HB3  LEU  66           HB1      LEU  66   1.864   1.174  -5.846
  488    HG   LEU  66           HG       LEU  66   3.456   3.661  -6.417
  489   HD11  LEU  66          HD11      LEU  66   3.930   1.465  -4.409
  490   HD12  LEU  66          HD12      LEU  66   3.469   3.131  -4.057
  491   HD13  LEU  66          HD13      LEU  66   5.049   2.779  -4.761
  492   HD21  LEU  66          HD21      LEU  66   3.836   1.989  -8.104
  493   HD22  LEU  66          HD22      LEU  66   4.170   0.779  -6.865
  494   HD23  LEU  66          HD23      LEU  66   5.264   2.145  -7.081
  495    H    LYS  67           HN       LYS  67  -0.651   3.133  -8.724
  496    HA   LYS  67           HA       LYS  67  -2.917   2.852  -7.251
  497    HB2  LYS  67           HB2      LYS  67  -4.052   2.481  -9.567
  498    HB3  LYS  67           HB1      LYS  67  -3.258   3.996  -9.173
  499    HG2  LYS  67           HG2      LYS  67  -2.739   3.255 -11.466
  500    HG3  LYS  67           HG1      LYS  67  -1.311   3.371 -10.467
  501    HD2  LYS  67           HD2      LYS  67  -1.309   0.933 -10.153
  502    HD3  LYS  67           HD1      LYS  67  -2.757   0.808 -11.154
  503    HE2  LYS  67           HE2      LYS  67  -1.575   1.608 -13.077
  504    HE3  LYS  67           HE1      LYS  67  -0.165   2.012 -12.103
  505    HZ1  LYS  67           HZ1      LYS  67   0.012  -0.081 -13.410
  506    HZ2  LYS  67           HZ2      LYS  67  -1.134  -0.799 -12.379
  507    HZ3  LYS  67           HZ3      LYS  67   0.336  -0.217 -11.778
  508    H    THR  68           HN       THR  68  -1.246   0.144  -7.444
  509    HA   THR  68           HA       THR  68  -3.569  -1.370  -6.855
  510    HB   THR  68           HB       THR  68  -2.445  -3.371  -7.965
  511    HG1  THR  68           HG1      THR  68  -1.683  -2.164 -10.174
  512   HG21  THR  68          HG21      THR  68  -4.617  -2.594  -8.574
  513   HG22  THR  68          HG22      THR  68  -3.735  -3.041 -10.049
  514   HG23  THR  68          HG23      THR  68  -3.920  -1.333  -9.594
  515    H    VAL  69           HN       VAL  69  -3.114  -3.226  -5.563
  516    HA   VAL  69           HA       VAL  69  -1.194  -2.816  -3.583
  517    HB   VAL  69           HB       VAL  69  -2.144  -5.544  -4.437
  518   HG11  VAL  69          HG11      VAL  69  -0.327  -5.437  -2.958
  519   HG12  VAL  69          HG12      VAL  69  -1.774  -6.072  -2.084
  520   HG13  VAL  69          HG13      VAL  69  -1.211  -4.394  -1.854
  521   HG21  VAL  69          HG21      VAL  69  -3.965  -5.305  -2.845
  522   HG22  VAL  69          HG22      VAL  69  -4.093  -4.109  -4.131
  523   HG23  VAL  69          HG23      VAL  69  -3.500  -3.629  -2.535
  524    H    GLY  70           HN       GLY  70  -1.034  -4.857  -6.430
  525    HA2  GLY  70           HA2      GLY  70   1.516  -5.929  -5.877
  526    HA3  GLY  70           HA1      GLY  70   0.659  -6.002  -7.406
  527    H    ASP  71           HN       ASP  71   0.485  -2.984  -7.398
  528    HA   ASP  71           HA       ASP  71   2.957  -2.600  -8.826
  529    HB2  ASP  71           HB2      ASP  71   0.566  -1.375  -9.060
  530    HB3  ASP  71           HB1      ASP  71   1.333  -0.349  -7.871
  531    H    ALA  72           HN       ALA  72   1.417  -1.467  -5.890
  532    HA   ALA  72           HA       ALA  72   3.470   0.084  -4.744
  533    HB1  ALA  72           HB1      ALA  72   1.410  -1.676  -3.416
  534    HB2  ALA  72           HB2      ALA  72   1.188   0.011  -3.903
  535    HB3  ALA  72           HB3      ALA  72   2.347  -0.396  -2.641
  536    H    THR  73           HN       THR  73   2.632  -3.304  -4.262
  537    HA   THR  73           HA       THR  73   4.719  -4.082  -2.629
  538    HB   THR  73           HB       THR  73   3.306  -5.723  -4.756
  539    HG1  THR  73           HG1      THR  73   1.826  -4.859  -3.301
  540   HG21  THR  73          HG21      THR  73   3.853  -7.648  -3.340
  541   HG22  THR  73          HG22      THR  73   4.747  -6.592  -2.248
  542   HG23  THR  73          HG23      THR  73   5.321  -6.845  -3.900
  543    H    LYS  74           HN       LYS  74   4.640  -3.807  -6.138
  544    HA   LYS  74           HA       LYS  74   7.068  -5.106  -6.770
  545    HB2  LYS  74           HB2      LYS  74   5.332  -4.703  -8.435
  546    HB3  LYS  74           HB1      LYS  74   5.376  -2.988  -8.133
  547    HG2  LYS  74           HG2      LYS  74   7.658  -4.500  -9.410
  548    HG3  LYS  74           HG1      LYS  74   6.331  -3.798 -10.330
  549    HD2  LYS  74           HD2      LYS  74   8.258  -2.366  -8.541
  550    HD3  LYS  74           HD1      LYS  74   8.276  -2.276 -10.321
  551    HE2  LYS  74           HE2      LYS  74   6.144  -1.250  -8.409
  552    HE3  LYS  74           HE1      LYS  74   7.284  -0.258  -9.306
  553    HZ1  LYS  74           HZ1      LYS  74   4.948  -0.438 -10.149
  554    HZ2  LYS  74           HZ2      LYS  74   5.262  -1.977 -10.700
  555    HZ3  LYS  74           HZ3      LYS  74   6.142  -0.645 -11.286
  556    H    TYR  75           HN       TYR  75   6.224  -1.751  -6.182
  557    HA   TYR  75           HA       TYR  75   8.783  -0.662  -6.554
  558    HB2  TYR  75           HB2      TYR  75   6.688   0.544  -6.787
  559    HB3  TYR  75           HB1      TYR  75   6.324   0.268  -5.093
  560    HD1  TYR  75           HD2      TYR  75   7.439   1.553  -3.379
  561    HD2  TYR  75           HD1      TYR  75   8.285   2.168  -7.471
  562    HE1  TYR  75           HE2      TYR  75   8.509   3.660  -2.807
  563    HE2  TYR  75           HE1      TYR  75   9.367   4.313  -6.940
  564    HH   TYR  75           HH       TYR  75   9.151   5.995  -5.067
  565    H    ILE  76           HN       ILE  76   6.846  -1.506  -3.743
  566    HA   ILE  76           HA       ILE  76   8.683  -0.616  -1.868
  567    HB   ILE  76           HB       ILE  76   6.419  -2.604  -1.455
  568   HG12  ILE  76          HG12      ILE  76   6.503   0.398  -1.080
  569   HG13  ILE  76          HG11      ILE  76   5.658  -0.457  -2.362
  570   HG21  ILE  76          HG21      ILE  76   7.889  -0.899   0.552
  571   HG22  ILE  76          HG22      ILE  76   8.049  -2.643   0.366
  572   HG23  ILE  76          HG23      ILE  76   6.514  -1.953   0.889
  573   HD11  ILE  76          HD11      ILE  76   4.181  -1.485  -0.709
  574   HD12  ILE  76          HD12      ILE  76   4.137   0.279  -0.608
  575   HD13  ILE  76          HD13      ILE  76   5.061  -0.654   0.578
  576    H    LEU  77           HN       LEU  77   8.264  -3.756  -3.375
  577    HA   LEU  77           HA       LEU  77   9.960  -5.114  -1.568
  578    HB2  LEU  77           HB2      LEU  77   8.159  -6.025  -3.130
  579    HB3  LEU  77           HB1      LEU  77   9.360  -6.022  -4.396
  580    HG   LEU  77           HG       LEU  77   9.551  -7.567  -1.805
  581   HD11  LEU  77          HD11      LEU  77   8.778  -8.477  -4.572
  582   HD12  LEU  77          HD12      LEU  77   7.736  -8.393  -3.145
  583   HD13  LEU  77          HD13      LEU  77   9.071  -9.540  -3.193
  584   HD21  LEU  77          HD21      LEU  77  11.352  -8.809  -2.913
  585   HD22  LEU  77          HD22      LEU  77  11.743  -7.093  -2.774
  586   HD23  LEU  77          HD23      LEU  77  11.214  -7.753  -4.319
  587    H    ASP  78           HN       ASP  78  10.318  -3.709  -4.806
  588    HA   ASP  78           HA       ASP  78  12.990  -4.449  -5.322
  589    HB2  ASP  78           HB2      ASP  78  11.475  -3.680  -7.072
  590    HB3  ASP  78           HB1      ASP  78  11.384  -2.092  -6.329
  591    H    HIS  79           HN       HIS  79  11.595  -1.855  -3.549
  592    HA   HIS  79           HA       HIS  79  14.178  -0.527  -3.213
  593    HB2  HIS  79           HB2      HIS  79  11.362   0.389  -2.794
  594    HB3  HIS  79           HB1      HIS  79  12.724   1.322  -2.181
  595    HD1  HIS  79           HD1      HIS  79  13.759   2.918  -3.832
  596    HD2  HIS  79           HD2      HIS  79  11.283   0.139  -5.673
  597    HE1  HIS  79           HE1      HIS  79  13.514   3.691  -6.202
  598    HE2  HIS  79           HE2      HIS  79  12.440   1.736  -7.319
  599    H    GLN  80           HN       GLN  80  12.781  -2.943  -1.686
  600    HA   GLN  80           HA       GLN  80  12.311  -2.343   0.958
  601    HB2  GLN  80           HB2      GLN  80  13.357  -4.800  -0.372
  602    HB3  GLN  80           HB1      GLN  80  13.293  -4.726   1.380
  603    HG2  GLN  80           HG2      GLN  80  10.960  -4.250  -0.431
  604    HG3  GLN  80           HG1      GLN  80  11.354  -5.801   0.314
  605   HE21  GLN  80          HE21      GLN  80   9.108  -3.985   0.594
  606   HE22  GLN  80          HE22      GLN  80   8.925  -3.736   2.295
  607    H    ALA  81           HN       ALA  81  13.517  -2.490   2.857
  608    HA   ALA  81           HA       ALA  81  16.405  -2.682   2.660
  609    HB1  ALA  81           HB1      ALA  81  15.865  -0.290   2.812
  610    HB2  ALA  81           HB2      ALA  81  16.615  -0.854   4.308
  611    HB3  ALA  81           HB3      ALA  81  14.872  -0.600   4.238
  612    H28  SXH 101          H28B      SXH 101  -5.364   9.353  -3.023
  613   H28A  SXH 101          H28A      SXH 101  -5.812   9.249  -1.340
  614    H30  SXH 101          H30C      SXH 101  -5.375  12.481  -2.958
  615   H30A  SXH 101          H30A      SXH 101  -4.180  11.457  -3.750
  616   H30B  SXH 101          H30B      SXH 101  -3.659  12.664  -2.567
  617    H31  SXH 101          H31A      SXH 101  -5.985  12.147  -0.652
  618   H31A  SXH 101          H31C      SXH 101  -5.200  10.890   0.307
  619   H31B  SXH 101          H31B      SXH 101  -4.300  12.343  -0.145
  620    H32  SXH 101          H32A      SXH 101  -2.416  10.873  -1.304
  621   HO33  SXH 101          H33A      SXH 101  -3.418   8.474  -0.688
  622   HN36  SXH 101          H36A      SXH 101  -2.296  10.661  -3.639
  623    H37  SXH 101          H37A      SXH 101  -1.282   9.453  -5.194
  624   H37A  SXH 101          H37B      SXH 101  -1.798   7.924  -4.453
  625    H38  SXH 101          H38A      SXH 101  -3.728   9.904  -5.713
  626   H38A  SXH 101          H38B      SXH 101  -2.750   8.870  -6.705
  627   HN41  SXH 101          H41A      SXH 101  -3.328   7.110  -4.012
  628    H42  SXH 101          H42A      SXH 101  -5.563   5.940  -3.646
  629   H42A  SXH 101          H42B      SXH 101  -5.381   5.559  -5.352
  630    H43  SXH 101          H43A      SXH 101  -3.586   4.751  -3.150
  631   H43A  SXH 101          H43B      SXH 101  -3.163   4.674  -4.880
  632    H2   SXH 101           H2A      SXH 101  -2.162   3.438  -3.549
  633    H2A  SXH 101           H2B      SXH 101  -1.460   2.484  -4.844
  634    H3   SXH 101           H3A      SXH 101  -1.300   0.586  -3.494
  635    H3A  SXH 101           H3B      SXH 101  -2.183   1.367  -2.171
  636    H4   SXH 101           H4B      SXH 101   0.550   2.072  -3.228
  637    H4A  SXH 101           H4A      SXH 101  -0.361   3.108  -2.127
  638    H5   SXH 101           H5A      SXH 101   0.524   0.265  -1.578
  639    H5A  SXH 101           H5B      SXH 101  -0.425   1.282  -0.478
  640    H6   SXH 101           H6C      SXH 101   2.348   1.875  -1.514
  641    H6A  SXH 101           H6A      SXH 101   1.951   1.309   0.107
  642    H6B  SXH 101           H6B      SXH 101   1.414   2.903  -0.426
  Start of MODEL    2
    1    H1   ALA   1           HT1      ALA   1  12.118  -3.347   4.526
    2    H2   ALA   1           HT2      ALA   1  13.706  -3.508   5.077
    3    H3   ALA   1           HT3      ALA   1  12.378  -3.868   6.102
    4    HA   ALA   1           HA       ALA   1  13.024  -5.269   3.593
    5    HB1  ALA   1           HB1      ALA   1  13.676  -7.135   4.891
    6    HB2  ALA   1           HB2      ALA   1  13.415  -6.250   6.403
    7    HB3  ALA   1           HB3      ALA   1  14.706  -5.754   5.280
    8    H    ALA   2           HN       ALA   2  11.579  -6.640   2.884
    9    HA   ALA   2           HA       ALA   2   9.550  -7.907   4.322
   10    HB1  ALA   2           HB1      ALA   2   7.592  -6.752   3.341
   11    HB2  ALA   2           HB2      ALA   2   8.659  -5.529   2.659
   12    HB3  ALA   2           HB3      ALA   2   8.492  -5.676   4.410
   13    H    THR   3           HN       THR   3   7.915  -8.779   2.476
   14    HA   THR   3           HA       THR   3   9.525  -9.152   0.142
   15    HB   THR   3           HB       THR   3   8.759 -11.584   0.161
   16    HG1  THR   3           HG1      THR   3   8.398 -11.297   2.919
   17   HG21  THR   3          HG21      THR   3  10.442 -12.323   1.789
   18   HG22  THR   3          HG22      THR   3  10.464 -10.707   2.496
   19   HG23  THR   3          HG23      THR   3  11.049 -10.954   0.848
   20    H    GLN   4           HN       GLN   4   7.617 -10.749  -1.264
   21    HA   GLN   4           HA       GLN   4   5.843  -8.743  -2.051
   22    HB2  GLN   4           HB2      GLN   4   6.621 -10.582  -3.527
   23    HB3  GLN   4           HB1      GLN   4   5.652 -11.715  -2.615
   24    HG2  GLN   4           HG2      GLN   4   4.354  -9.389  -4.027
   25    HG3  GLN   4           HG1      GLN   4   4.819 -10.831  -4.911
   26   HE21  GLN   4          HE21      GLN   4   2.637  -9.460  -2.617
   27   HE22  GLN   4          HE22      GLN   4   1.497 -10.739  -2.552
   28    H    GLU   5           HN       GLU   5   5.118 -11.708  -0.206
   29    HA   GLU   5           HA       GLU   5   2.429 -10.821   0.104
   30    HB2  GLU   5           HB2      GLU   5   3.882 -13.153   1.343
   31    HB3  GLU   5           HB1      GLU   5   2.163 -12.831   1.562
   32    HG2  GLU   5           HG2      GLU   5   1.840 -12.979  -0.865
   33    HG3  GLU   5           HG1      GLU   5   3.549 -13.348  -1.057
   34    H    GLU   6           HN       GLU   6   5.300 -10.391   1.866
   35    HA   GLU   6           HA       GLU   6   4.030  -9.705   4.339
   36    HB2  GLU   6           HB2      GLU   6   6.789  -9.097   3.348
   37    HB3  GLU   6           HB1      GLU   6   6.208  -8.606   4.929
   38    HG2  GLU   6           HG2      GLU   6   5.825 -10.964   5.486
   39    HG3  GLU   6           HG1      GLU   6   6.480 -11.416   3.909
   40    H    ILE   7           HN       ILE   7   5.332  -7.764   1.613
   41    HA   ILE   7           HA       ILE   7   4.633  -5.242   2.535
   42    HB   ILE   7           HB       ILE   7   4.571  -6.410  -0.250
   43   HG12  ILE   7          HG12      ILE   7   6.658  -4.697   1.067
   44   HG13  ILE   7          HG11      ILE   7   6.713  -6.458   1.040
   45   HG21  ILE   7          HG21      ILE   7   3.219  -4.373  -0.144
   46   HG22  ILE   7          HG22      ILE   7   4.709  -4.093  -1.045
   47   HG23  ILE   7          HG23      ILE   7   4.561  -3.513   0.612
   48   HD11  ILE   7          HD11      ILE   7   6.689  -4.651  -1.342
   49   HD12  ILE   7          HD12      ILE   7   6.734  -6.414  -1.377
   50   HD13  ILE   7          HD13      ILE   7   8.084  -5.506  -0.690
   51    H    VAL   8           HN       VAL   8   2.890  -7.507   0.549
   52    HA   VAL   8           HA       VAL   8   0.518  -6.067   0.223
   53    HB   VAL   8           HB       VAL   8   0.951  -9.072   0.187
   54   HG11  VAL   8          HG11      VAL   8  -1.521  -7.532  -0.633
   55   HG12  VAL   8          HG12      VAL   8  -1.409  -8.617   0.753
   56   HG13  VAL   8          HG13      VAL   8  -1.249  -9.256  -0.882
   57   HG21  VAL   8          HG21      VAL   8   2.034  -7.791  -1.562
   58   HG22  VAL   8          HG22      VAL   8   0.500  -7.019  -1.964
   59   HG23  VAL   8          HG23      VAL   8   0.710  -8.749  -2.224
   60    H    ALA   9           HN       ALA   9   1.121  -8.601   2.687
   61    HA   ALA   9           HA       ALA   9  -1.371  -8.200   3.972
   62    HB1  ALA   9           HB1      ALA   9   1.145  -9.395   5.133
   63    HB2  ALA   9           HB2      ALA   9  -0.075 -10.272   4.211
   64    HB3  ALA   9           HB3      ALA   9  -0.489  -9.572   5.774
   65    H    GLY  10           HN       GLY  10   1.693  -6.608   4.258
   66    HA2  GLY  10           HA2      GLY  10   1.276  -5.429   6.799
   67    HA3  GLY  10           HA1      GLY  10   2.468  -4.947   5.593
   68    H    LEU  11           HN       LEU  11   0.980  -4.308   3.462
   69    HA   LEU  11           HA       LEU  11  -0.116  -1.764   4.049
   70    HB2  LEU  11           HB2      LEU  11  -0.636  -3.562   1.669
   71    HB3  LEU  11           HB1      LEU  11  -1.027  -1.862   1.762
   72    HG   LEU  11           HG       LEU  11   1.762  -3.012   1.781
   73   HD11  LEU  11          HD11      LEU  11   1.921  -2.063  -0.466
   74   HD12  LEU  11          HD12      LEU  11   0.230  -1.575  -0.383
   75   HD13  LEU  11          HD13      LEU  11   0.655  -3.289  -0.376
   76   HD21  LEU  11          HD21      LEU  11   2.463  -0.685   1.504
   77   HD22  LEU  11          HD22      LEU  11   1.592  -0.920   3.020
   78   HD23  LEU  11          HD23      LEU  11   0.784  -0.163   1.648
   79    H    ALA  12           HN       ALA  12  -1.524  -4.899   3.371
   80    HA   ALA  12           HA       ALA  12  -4.187  -4.272   3.373
   81    HB1  ALA  12           HB1      ALA  12  -2.973  -6.798   4.401
   82    HB2  ALA  12           HB2      ALA  12  -3.316  -6.399   2.699
   83    HB3  ALA  12           HB3      ALA  12  -4.639  -6.522   3.869
   84    H    GLU  13           HN       GLU  13  -2.254  -5.340   6.196
   85    HA   GLU  13           HA       GLU  13  -4.443  -5.249   7.926
   86    HB2  GLU  13           HB2      GLU  13  -2.820  -5.230   9.798
   87    HB3  GLU  13           HB1      GLU  13  -2.471  -6.467   8.601
   88    HG2  GLU  13           HG2      GLU  13  -0.713  -5.122   7.676
   89    HG3  GLU  13           HG1      GLU  13  -1.099  -3.808   8.780
   90    H    ILE  14           HN       ILE  14  -2.311  -2.750   6.934
   91    HA   ILE  14           HA       ILE  14  -3.289  -0.809   8.802
   92    HB   ILE  14           HB       ILE  14  -2.042  -0.321   6.074
   93   HG12  ILE  14          HG12      ILE  14  -0.631  -0.422   8.734
   94   HG13  ILE  14          HG11      ILE  14  -0.771  -1.831   7.685
   95   HG21  ILE  14          HG21      ILE  14  -1.358   1.816   7.127
   96   HG22  ILE  14          HG22      ILE  14  -2.197   1.346   8.606
   97   HG23  ILE  14          HG23      ILE  14  -3.114   1.643   7.128
   98   HD11  ILE  14          HD11      ILE  14   0.527   0.775   6.959
   99   HD12  ILE  14          HD12      ILE  14   0.375  -0.667   5.938
  100   HD13  ILE  14          HD13      ILE  14   1.347  -0.731   7.411
  101    H    VAL  15           HN       VAL  15  -3.998  -1.474   5.371
  102    HA   VAL  15           HA       VAL  15  -6.123   0.222   4.920
  103    HB   VAL  15           HB       VAL  15  -5.771  -2.598   3.840
  104   HG11  VAL  15          HG11      VAL  15  -8.030  -1.715   3.432
  105   HG12  VAL  15          HG12      VAL  15  -7.113  -1.832   1.939
  106   HG13  VAL  15          HG13      VAL  15  -7.333  -0.264   2.716
  107   HG21  VAL  15          HG21      VAL  15  -3.834  -1.196   3.467
  108   HG22  VAL  15          HG22      VAL  15  -4.859   0.038   2.714
  109   HG23  VAL  15          HG23      VAL  15  -4.694  -1.568   1.980
  110    H    ASN  16           HN       ASN  16  -6.083  -2.978   6.417
  111    HA   ASN  16           HA       ASN  16  -8.811  -3.436   6.937
  112    HB2  ASN  16           HB2      ASN  16  -6.383  -4.068   8.613
  113    HB3  ASN  16           HB1      ASN  16  -7.986  -4.422   9.215
  114   HD21  ASN  16          HD21      ASN  16  -6.813  -4.868   5.895
  115   HD22  ASN  16          HD22      ASN  16  -6.923  -6.577   5.982
  116    H    GLU  17           HN       GLU  17  -6.439  -1.710   8.867
  117    HA   GLU  17           HA       GLU  17  -8.128  -1.015  10.978
  118    HB2  GLU  17           HB2      GLU  17  -5.531   0.252  10.123
  119    HB3  GLU  17           HB1      GLU  17  -6.318   0.477  11.681
  120    HG2  GLU  17           HG2      GLU  17  -6.053  -1.890  12.168
  121    HG3  GLU  17           HG1      GLU  17  -5.305  -2.137  10.596
  122    H    ILE  18           HN       ILE  18  -7.112   0.901   8.144
  123    HA   ILE  18           HA       ILE  18  -8.746   3.125   9.215
  124    HB   ILE  18           HB       ILE  18  -7.312   3.291   6.593
  125   HG12  ILE  18          HG12      ILE  18  -5.956   3.883   9.221
  126   HG13  ILE  18          HG11      ILE  18  -5.720   2.344   8.367
  127   HG21  ILE  18          HG21      ILE  18  -8.769   5.115   7.310
  128   HG22  ILE  18          HG22      ILE  18  -7.085   5.638   7.304
  129   HG23  ILE  18          HG23      ILE  18  -7.881   5.248   8.828
  130   HD11  ILE  18          HD11      ILE  18  -3.943   3.940   7.899
  131   HD12  ILE  18          HD12      ILE  18  -5.159   5.094   7.316
  132   HD13  ILE  18          HD13      ILE  18  -4.899   3.605   6.452
  133    H    ALA  19           HN       ALA  19  -8.352   1.444   6.041
  134    HA   ALA  19           HA       ALA  19 -10.759   2.627   5.019
  135    HB1  ALA  19           HB1      ALA  19  -8.875   2.106   3.543
  136    HB2  ALA  19           HB2      ALA  19 -10.361   1.316   3.010
  137    HB3  ALA  19           HB3      ALA  19  -9.121   0.385   3.845
  138    H    GLY  20           HN       GLY  20  -9.885  -0.690   5.840
  139    HA2  GLY  20           HA2      GLY  20 -11.505  -2.060   6.999
  140    HA3  GLY  20           HA1      GLY  20 -12.759  -1.267   6.059
  141    H    ILE  21           HN       ILE  21  -9.814  -2.178   4.358
  142    HA   ILE  21           HA       ILE  21 -11.333  -4.255   3.023
  143    HB   ILE  21           HB       ILE  21  -8.645  -3.017   2.381
  144   HG12  ILE  21          HG12      ILE  21 -10.488  -1.527   2.000
  145   HG13  ILE  21          HG11      ILE  21  -9.871  -2.099   0.448
  146   HG21  ILE  21          HG21      ILE  21  -8.753  -4.273   0.281
  147   HG22  ILE  21          HG22      ILE  21 -10.236  -5.057   0.824
  148   HG23  ILE  21          HG23      ILE  21  -8.719  -5.355   1.672
  149   HD11  ILE  21          HD11      ILE  21 -11.657  -3.790   0.433
  150   HD12  ILE  21          HD12      ILE  21 -12.221  -2.119   0.362
  151   HD13  ILE  21          HD13      ILE  21 -12.324  -3.030   1.889
  152    HA   PRO  22           HA       PRO  22  -9.328  -7.141   5.868
  153    HB2  PRO  22           HB2      PRO  22 -10.203  -9.105   3.832
  154    HB3  PRO  22           HB1      PRO  22 -10.504  -9.072   5.571
  155    HG2  PRO  22           HG2      PRO  22 -12.383  -8.498   3.836
  156    HG3  PRO  22           HG1      PRO  22 -12.273  -7.610   5.370
  157    HD2  PRO  22           HD2      PRO  22 -11.483  -6.748   2.614
  158    HD3  PRO  22           HD1      PRO  22 -12.197  -5.793   3.930
  159    H    VAL  23           HN       VAL  23  -7.657  -8.724   5.840
  160    HA   VAL  23           HA       VAL  23  -5.556  -7.953   4.081
  161    HB   VAL  23           HB       VAL  23  -4.126  -9.620   5.240
  162   HG11  VAL  23          HG11      VAL  23  -5.744  -7.902   7.105
  163   HG12  VAL  23          HG12      VAL  23  -4.329  -7.400   6.181
  164   HG13  VAL  23          HG13      VAL  23  -4.165  -8.602   7.461
  165   HG21  VAL  23          HG21      VAL  23  -6.650 -10.294   6.735
  166   HG22  VAL  23          HG22      VAL  23  -5.037 -10.861   7.180
  167   HG23  VAL  23          HG23      VAL  23  -5.767 -11.358   5.646
  168    H    GLU  24           HN       GLU  24  -7.930 -10.324   3.889
  169    HA   GLU  24           HA       GLU  24  -6.358 -11.931   2.036
  170    HB2  GLU  24           HB2      GLU  24  -9.132 -12.396   3.126
  171    HB3  GLU  24           HB1      GLU  24  -8.201 -13.527   2.149
  172    HG2  GLU  24           HG2      GLU  24  -6.512 -13.662   3.895
  173    HG3  GLU  24           HG1      GLU  24  -7.427 -12.512   4.866
  174    H    ASP  25           HN       ASP  25  -8.292  -9.274   1.970
  175    HA   ASP  25           HA       ASP  25  -9.440  -9.896  -0.631
  176    HB2  ASP  25           HB2      ASP  25 -10.859  -8.767   1.115
  177    HB3  ASP  25           HB1      ASP  25  -9.766  -7.395   1.065
  178    H    VAL  26           HN       VAL  26  -7.197  -7.666   0.990
  179    HA   VAL  26           HA       VAL  26  -6.204  -6.327  -1.245
  180    HB   VAL  26           HB       VAL  26  -4.844  -7.067   1.367
  181   HG11  VAL  26          HG11      VAL  26  -3.264  -5.243   0.895
  182   HG12  VAL  26          HG12      VAL  26  -3.947  -5.065  -0.727
  183   HG13  VAL  26          HG13      VAL  26  -3.119  -6.552  -0.274
  184   HG21  VAL  26          HG21      VAL  26  -6.809  -5.674   1.665
  185   HG22  VAL  26          HG22      VAL  26  -6.189  -4.518   0.487
  186   HG23  VAL  26          HG23      VAL  26  -5.342  -4.762   2.015
  187    H    LYS  27           HN       LYS  27  -5.868  -7.727  -2.897
  188    HA   LYS  27           HA       LYS  27  -3.534  -9.486  -2.658
  189    HB2  LYS  27           HB2      LYS  27  -5.851  -9.527  -4.591
  190    HB3  LYS  27           HB1      LYS  27  -4.449 -10.594  -4.723
  191    HG2  LYS  27           HG2      LYS  27  -6.508 -10.515  -2.523
  192    HG3  LYS  27           HG1      LYS  27  -6.307 -11.772  -3.746
  193    HD2  LYS  27           HD2      LYS  27  -4.047 -12.233  -2.830
  194    HD3  LYS  27           HD1      LYS  27  -4.356 -11.044  -1.565
  195    HE2  LYS  27           HE2      LYS  27  -4.768 -13.259  -0.712
  196    HE3  LYS  27           HE1      LYS  27  -6.282 -12.372  -0.815
  197    HZ1  LYS  27           HZ1      LYS  27  -6.442 -14.686  -1.638
  198    HZ2  LYS  27           HZ2      LYS  27  -5.330 -14.301  -2.860
  199    HZ3  LYS  27           HZ3      LYS  27  -6.840 -13.572  -2.853
  200    H    LEU  28           HN       LEU  28  -2.204  -9.414  -4.777
  201    HA   LEU  28           HA       LEU  28  -1.571  -6.627  -5.064
  202    HB2  LEU  28           HB2      LEU  28   0.472  -7.320  -5.994
  203    HB3  LEU  28           HB1      LEU  28   0.046  -8.564  -4.842
  204    HG   LEU  28           HG       LEU  28  -0.902  -9.766  -6.965
  205   HD11  LEU  28          HD11      LEU  28   0.489  -9.319  -8.967
  206   HD12  LEU  28          HD12      LEU  28   1.196  -7.934  -8.116
  207   HD13  LEU  28          HD13      LEU  28  -0.511  -7.936  -8.507
  208   HD21  LEU  28          HD21      LEU  28   0.859 -10.642  -5.532
  209   HD22  LEU  28          HD22      LEU  28   2.041  -9.594  -6.319
  210   HD23  LEU  28          HD23      LEU  28   1.269 -10.892  -7.229
  211    H    ASP  29           HN       ASP  29  -3.614  -8.610  -6.579
  212    HA   ASP  29           HA       ASP  29  -3.535  -7.705  -9.314
  213    HB2  ASP  29           HB2      ASP  29  -4.006  -9.973  -8.800
  214    HB3  ASP  29           HB1      ASP  29  -5.224  -9.524  -7.622
  215    H    LYS  30           HN       LYS  30  -4.598  -6.476  -6.377
  216    HA   LYS  30           HA       LYS  30  -7.139  -5.614  -7.421
  217    HB2  LYS  30           HB2      LYS  30  -6.187  -5.675  -4.580
  218    HB3  LYS  30           HB1      LYS  30  -7.804  -5.296  -5.134
  219    HG2  LYS  30           HG2      LYS  30  -6.399  -7.951  -5.221
  220    HG3  LYS  30           HG1      LYS  30  -7.836  -7.476  -4.303
  221    HD2  LYS  30           HD2      LYS  30  -9.121  -7.278  -6.313
  222    HD3  LYS  30           HD1      LYS  30  -7.687  -7.521  -7.307
  223    HE2  LYS  30           HE2      LYS  30  -7.478  -9.788  -6.281
  224    HE3  LYS  30           HE1      LYS  30  -9.051  -9.519  -5.525
  225    HZ1  LYS  30           HZ1      LYS  30  -9.308 -10.716  -7.610
  226    HZ2  LYS  30           HZ2      LYS  30  -8.455  -9.509  -8.414
  227    HZ3  LYS  30           HZ3      LYS  30  -9.982  -9.172  -7.738
  228    H    SER  31           HN       SER  31  -7.148  -3.812  -8.098
  229    HA   SER  31           HA       SER  31  -5.498  -1.589  -7.391
  230    HB2  SER  31           HB2      SER  31  -8.282  -1.561  -8.554
  231    HB3  SER  31           HB1      SER  31  -7.049  -0.304  -8.746
  232    HG   SER  31           HG       SER  31  -7.561  -2.478 -10.211
  233    H    PHE  32           HN       PHE  32  -5.599  -1.190  -5.198
  234    HA   PHE  32           HA       PHE  32  -7.487  -1.529  -3.287
  235    HB2  PHE  32           HB2      PHE  32  -5.670   0.797  -3.622
  236    HB3  PHE  32           HB1      PHE  32  -6.782   0.737  -2.260
  237    HD1  PHE  32           HD1      PHE  32  -6.518  -1.199  -0.599
  238    HD2  PHE  32           HD2      PHE  32  -3.660  -0.293  -3.632
  239    HE1  PHE  32           HE1      PHE  32  -4.912  -2.539   0.551
  240    HE2  PHE  32           HE2      PHE  32  -1.995  -1.619  -2.491
  241    HZ   PHE  32           HZ       PHE  32  -2.572  -2.570  -0.153
  242    H    THR  33           HN       THR  33  -7.393   1.655  -4.924
  243    HA   THR  33           HA       THR  33 -10.096   2.114  -4.121
  244    HB   THR  33           HB       THR  33  -8.534   3.952  -3.970
  245    HG1  THR  33           HG1      THR  33  -9.629   5.523  -5.300
  246   HG21  THR  33          HG21      THR  33  -7.498   4.996  -5.953
  247   HG22  THR  33          HG22      THR  33  -8.163   3.695  -6.954
  248   HG23  THR  33          HG23      THR  33  -6.969   3.327  -5.707
  249    H    ASP  34           HN       ASP  34 -10.665   0.097  -5.405
  250    HA   ASP  34           HA       ASP  34 -12.330   0.697  -7.589
  251    HB2  ASP  34           HB2      ASP  34 -10.125   0.935  -8.841
  252    HB3  ASP  34           HB1      ASP  34  -9.800  -0.722  -8.409
  253    H    ASP  35           HN       ASP  35 -10.038  -1.817  -6.852
  254    HA   ASP  35           HA       ASP  35 -11.904  -3.988  -7.283
  255    HB2  ASP  35           HB2      ASP  35  -9.181  -3.559  -7.407
  256    HB3  ASP  35           HB1      ASP  35  -9.316  -4.740  -6.150
  257    H    LEU  36           HN       LEU  36 -10.235  -2.463  -4.685
  258    HA   LEU  36           HA       LEU  36 -11.378  -4.374  -2.824
  259    HB2  LEU  36           HB2      LEU  36  -9.426  -2.134  -2.349
  260    HB3  LEU  36           HB1      LEU  36  -9.915  -3.344  -1.172
  261    HG   LEU  36           HG       LEU  36  -8.384  -3.860  -3.718
  262   HD11  LEU  36          HD11      LEU  36  -7.038  -2.836  -1.993
  263   HD12  LEU  36          HD12      LEU  36  -6.588  -4.526  -2.243
  264   HD13  LEU  36          HD13      LEU  36  -7.557  -4.068  -0.844
  265   HD21  LEU  36          HD21      LEU  36  -9.298  -5.761  -1.584
  266   HD22  LEU  36          HD22      LEU  36  -8.237  -6.151  -2.939
  267   HD23  LEU  36          HD23      LEU  36  -9.906  -5.668  -3.236
  268    H    ASP  37           HN       ASP  37 -10.778  -1.095  -2.111
  269    HA   ASP  37           HA       ASP  37 -12.867   0.472  -2.408
  270    HB2  ASP  37           HB2      ASP  37 -14.379  -1.458  -1.393
  271    HB3  ASP  37           HB1      ASP  37 -13.675  -0.981   0.124
  272    H    VAL  38           HN       VAL  38 -10.502   1.176  -1.932
  273    HA   VAL  38           HA       VAL  38 -10.301   1.789   0.889
  274    HB   VAL  38           HB       VAL  38  -8.297   1.027  -0.509
  275   HG11  VAL  38          HG11      VAL  38  -8.392   3.857  -1.509
  276   HG12  VAL  38          HG12      VAL  38  -8.580   2.384  -2.463
  277   HG13  VAL  38          HG13      VAL  38  -7.030   2.755  -1.706
  278   HG21  VAL  38          HG21      VAL  38  -7.997   1.905   1.712
  279   HG22  VAL  38          HG22      VAL  38  -8.047   3.557   1.101
  280   HG23  VAL  38          HG23      VAL  38  -6.703   2.499   0.670
  281    H    ASP  39           HN       ASP  39 -10.171   3.996   1.593
  282    HA   ASP  39           HA       ASP  39 -12.055   5.666   0.218
  283    HB2  ASP  39           HB2      ASP  39 -10.332   6.521   2.529
  284    HB3  ASP  39           HB1      ASP  39 -11.985   6.985   2.149
  285    H    SER  40           HN       SER  40  -8.824   5.036  -0.062
  286    HA   SER  40           HA       SER  40  -7.020   5.846  -0.975
  287    HB2  SER  40           HB2      SER  40  -7.111   7.496  -2.656
  288    HB3  SER  40           HB1      SER  40  -8.764   6.855  -2.603
  289    H    LEU  41           HN       LEU  41  -8.718   7.637   1.210
  290    HA   LEU  41           HA       LEU  41  -6.704   9.631   1.755
  291    HB2  LEU  41           HB2      LEU  41  -9.387   9.008   2.962
  292    HB3  LEU  41           HB1      LEU  41  -8.414  10.434   3.322
  293    HG   LEU  41           HG       LEU  41  -9.029   9.894   0.480
  294   HD11  LEU  41          HD11      LEU  41 -11.119   9.481   1.437
  295   HD12  LEU  41          HD12      LEU  41 -11.141  11.034   0.613
  296   HD13  LEU  41          HD13      LEU  41 -11.081  10.975   2.399
  297   HD21  LEU  41          HD21      LEU  41  -7.614  11.756   1.111
  298   HD22  LEU  41          HD22      LEU  41  -8.888  12.389   2.155
  299   HD23  LEU  41          HD23      LEU  41  -9.124  12.336   0.409
  300    H    SER  42           HN       SER  42  -7.819   6.515   2.840
  301    HA   SER  42           HA       SER  42  -6.618   6.517   5.332
  302    HB2  SER  42           HB2      SER  42  -6.898   3.929   4.451
  303    HB3  SER  42           HB1      SER  42  -8.171   4.880   5.225
  304    HG   SER  42           HG       SER  42  -9.223   4.636   3.483
  305    H    MET  43           HN       MET  43  -5.691   6.286   2.033
  306    HA   MET  43           HA       MET  43  -3.584   4.456   2.311
  307    HB2  MET  43           HB2      MET  43  -4.769   5.093   0.159
  308    HB3  MET  43           HB1      MET  43  -3.747   6.528   0.148
  309    HG2  MET  43           HG2      MET  43  -2.783   4.812  -1.226
  310    HG3  MET  43           HG1      MET  43  -1.767   5.094   0.201
  311    HE1  MET  43           HE1      MET  43  -4.655   1.538  -0.270
  312    HE2  MET  43           HE2      MET  43  -4.405   2.793  -1.488
  313    HE3  MET  43           HE3      MET  43  -5.180   3.193   0.040
  314    H    VAL  44           HN       VAL  44  -3.751   7.980   2.557
  315    HA   VAL  44           HA       VAL  44  -1.029   8.447   2.600
  316    HB   VAL  44           HB       VAL  44  -3.131   9.911   4.261
  317   HG11  VAL  44          HG11      VAL  44  -0.898  10.313   5.182
  318   HG12  VAL  44          HG12      VAL  44  -1.532  11.764   4.407
  319   HG13  VAL  44          HG13      VAL  44  -0.318  10.786   3.585
  320   HG21  VAL  44          HG21      VAL  44  -1.871  10.620   1.620
  321   HG22  VAL  44          HG22      VAL  44  -3.045  11.598   2.497
  322   HG23  VAL  44          HG23      VAL  44  -3.503  10.024   1.850
  323    H    GLU  45           HN       GLU  45  -3.189   7.513   5.249
  324    HA   GLU  45           HA       GLU  45  -1.121   7.503   7.179
  325    HB2  GLU  45           HB2      GLU  45  -3.869   6.288   7.212
  326    HB3  GLU  45           HB1      GLU  45  -2.795   6.406   8.603
  327    HG2  GLU  45           HG2      GLU  45  -2.840   8.837   8.430
  328    HG3  GLU  45           HG1      GLU  45  -3.930   8.710   7.048
  329    H    VAL  46           HN       VAL  46  -2.534   5.159   4.977
  330    HA   VAL  46           HA       VAL  46  -1.286   2.858   6.028
  331    HB   VAL  46           HB       VAL  46  -2.045   3.412   3.108
  332   HG11  VAL  46          HG11      VAL  46  -2.076   0.996   2.824
  333   HG12  VAL  46          HG12      VAL  46  -1.539   0.786   4.481
  334   HG13  VAL  46          HG13      VAL  46  -0.455   1.536   3.292
  335   HG21  VAL  46          HG21      VAL  46  -3.569   1.956   5.265
  336   HG22  VAL  46          HG22      VAL  46  -4.044   2.068   3.574
  337   HG23  VAL  46          HG23      VAL  46  -3.982   3.525   4.570
  338    H    VAL  47           HN       VAL  47  -0.232   5.358   3.828
  339    HA   VAL  47           HA       VAL  47   2.298   4.369   3.021
  340    HB   VAL  47           HB       VAL  47   1.074   7.132   3.298
  341   HG11  VAL  47          HG11      VAL  47   2.956   8.035   2.046
  342   HG12  VAL  47          HG12      VAL  47   3.755   6.465   2.105
  343   HG13  VAL  47          HG13      VAL  47   3.482   7.373   3.594
  344   HG21  VAL  47          HG21      VAL  47   1.777   5.464   0.907
  345   HG22  VAL  47          HG22      VAL  47   1.097   7.092   0.868
  346   HG23  VAL  47          HG23      VAL  47   0.161   5.760   1.548
  347    H    VAL  48           HN       VAL  48   1.611   6.802   5.482
  348    HA   VAL  48           HA       VAL  48   4.221   6.843   6.428
  349    HB   VAL  48           HB       VAL  48   1.669   7.522   7.926
  350   HG11  VAL  48          HG11      VAL  48   3.544   7.208   9.486
  351   HG12  VAL  48          HG12      VAL  48   3.083   8.907   9.370
  352   HG13  VAL  48          HG13      VAL  48   4.522   8.325   8.532
  353   HG21  VAL  48          HG21      VAL  48   1.945   8.754   5.877
  354   HG22  VAL  48          HG22      VAL  48   3.596   9.160   6.320
  355   HG23  VAL  48          HG23      VAL  48   2.245   9.826   7.255
  356    H    ALA  49           HN       ALA  49   1.654   4.685   7.152
  357    HA   ALA  49           HA       ALA  49   2.940   3.492   9.440
  358    HB1  ALA  49           HB1      ALA  49   1.147   1.805   9.304
  359    HB2  ALA  49           HB2      ALA  49   0.647   2.471   7.749
  360    HB3  ALA  49           HB3      ALA  49   0.490   3.440   9.203
  361    H    ALA  50           HN       ALA  50   2.582   2.726   6.015
  362    HA   ALA  50           HA       ALA  50   3.932   0.253   6.071
  363    HB1  ALA  50           HB1      ALA  50   2.373   0.870   4.291
  364    HB2  ALA  50           HB2      ALA  50   3.952   0.412   3.652
  365    HB3  ALA  50           HB3      ALA  50   3.496   2.114   3.743
  366    H    GLU  51           HN       GLU  51   5.000   3.562   5.488
  367    HA   GLU  51           HA       GLU  51   7.520   2.904   4.562
  368    HB2  GLU  51           HB2      GLU  51   6.669   5.343   6.089
  369    HB3  GLU  51           HB1      GLU  51   8.155   5.187   5.177
  370    HG2  GLU  51           HG2      GLU  51   6.908   4.976   3.116
  371    HG3  GLU  51           HG1      GLU  51   5.387   5.074   4.003
  372    H    GLU  52           HN       GLU  52   6.149   3.303   7.676
  373    HA   GLU  52           HA       GLU  52   8.551   3.375   9.207
  374    HB2  GLU  52           HB2      GLU  52   5.727   2.673   9.942
  375    HB3  GLU  52           HB1      GLU  52   7.033   2.606  11.112
  376    HG2  GLU  52           HG2      GLU  52   6.119   5.021   9.584
  377    HG3  GLU  52           HG1      GLU  52   5.815   4.672  11.288
  378    H    ARG  53           HN       ARG  53   6.459   0.846   8.160
  379    HA   ARG  53           HA       ARG  53   7.864  -1.160   9.687
  380    HB2  ARG  53           HB2      ARG  53   6.123  -2.642   8.945
  381    HB3  ARG  53           HB1      ARG  53   5.456  -1.123   9.561
  382    HG2  ARG  53           HG2      ARG  53   5.172  -0.372   7.255
  383    HG3  ARG  53           HG1      ARG  53   5.720  -1.954   6.702
  384    HD2  ARG  53           HD2      ARG  53   3.308  -1.396   8.415
  385    HD3  ARG  53           HD1      ARG  53   3.347  -1.819   6.697
  386    HE   ARG  53           HE       ARG  53   4.532  -3.919   7.580
  387   HH11  ARG  53          HH11      ARG  53   2.087  -2.237   9.529
  388   HH12  ARG  53          HH12      ARG  53   1.332  -3.683  10.024
  389   HH21  ARG  53          HH21      ARG  53   3.481  -5.857   8.240
  390   HH22  ARG  53          HH22      ARG  53   2.114  -5.780   9.268
  391    H    PHE  54           HN       PHE  54   7.804  -0.051   6.393
  392    HA   PHE  54           HA       PHE  54   9.140  -2.491   5.515
  393    HB2  PHE  54           HB2      PHE  54   7.850  -0.304   3.896
  394    HB3  PHE  54           HB1      PHE  54   8.689  -1.688   3.209
  395    HD1  PHE  54           HD1      PHE  54   7.728  -3.822   5.055
  396    HD2  PHE  54           HD2      PHE  54   5.658  -0.629   3.165
  397    HE1  PHE  54           HE1      PHE  54   5.649  -5.134   5.116
  398    HE2  PHE  54           HE2      PHE  54   3.578  -1.938   3.224
  399    HZ   PHE  54           HZ       PHE  54   3.556  -4.154   4.282
  400    H    ASP  55           HN       ASP  55   9.707   0.820   6.174
  401    HA   ASP  55           HA       ASP  55  11.515   2.128   6.143
  402    HB2  ASP  55           HB2      ASP  55  13.000  -0.498   5.902
  403    HB3  ASP  55           HB1      ASP  55  13.764   1.070   6.118
  404    H    VAL  56           HN       VAL  56  10.246   1.121   3.643
  405    HA   VAL  56           HA       VAL  56  12.410   1.418   1.718
  406    HB   VAL  56           HB       VAL  56  10.850  -0.349   1.179
  407   HG11  VAL  56          HG11      VAL  56   8.752   1.750   1.520
  408   HG12  VAL  56          HG12      VAL  56   8.858   0.174   2.328
  409   HG13  VAL  56          HG13      VAL  56   8.474   0.303   0.595
  410   HG21  VAL  56          HG21      VAL  56  10.045   0.316  -1.021
  411   HG22  VAL  56          HG22      VAL  56  11.680   0.903  -0.719
  412   HG23  VAL  56          HG23      VAL  56  10.312   2.009  -0.607
  413    H    LYS  57           HN       LYS  57   9.492   2.922   2.693
  414    HA   LYS  57           HA       LYS  57   8.560   4.872   2.450
  415    HB2  LYS  57           HB2      LYS  57  11.348   5.722   2.082
  416    HB3  LYS  57           HB1      LYS  57  10.088   6.867   1.608
  417    HG2  LYS  57           HG2      LYS  57   9.012   6.492   3.721
  418    HG3  LYS  57           HG1      LYS  57  10.379   5.512   4.254
  419    HD2  LYS  57           HD2      LYS  57  11.851   7.360   4.243
  420    HD3  LYS  57           HD1      LYS  57  10.725   8.347   3.297
  421    HE2  LYS  57           HE2      LYS  57  10.064   7.282   6.017
  422    HE3  LYS  57           HE1      LYS  57  10.819   8.875   5.786
  423    HZ1  LYS  57           HZ1      LYS  57   8.884   9.645   4.705
  424    HZ2  LYS  57           HZ2      LYS  57   8.256   8.692   5.958
  425    HZ3  LYS  57           HZ3      LYS  57   8.318   8.098   4.398
  426    H    ILE  58           HN       ILE  58   7.046   5.068   1.301
  427    HA   ILE  58           HA       ILE  58   7.375   5.741  -1.526
  428    HB   ILE  58           HB       ILE  58   4.820   4.505  -0.545
  429   HG12  ILE  58          HG12      ILE  58   5.604   2.266  -1.557
  430   HG13  ILE  58          HG11      ILE  58   7.237   2.862  -1.261
  431   HG21  ILE  58          HG21      ILE  58   4.738   5.583  -2.633
  432   HG22  ILE  58          HG22      ILE  58   4.503   3.880  -2.843
  433   HG23  ILE  58          HG23      ILE  58   6.058   4.595  -3.249
  434   HD11  ILE  58          HD11      ILE  58   6.730   3.074   1.120
  435   HD12  ILE  58          HD12      ILE  58   6.479   1.421   0.551
  436   HD13  ILE  58          HD13      ILE  58   5.094   2.478   0.827
  437    HA   PRO  59           HA       PRO  59   5.201   8.988   0.805
  438    HB2  PRO  59           HB2      PRO  59   5.482  10.373  -1.792
  439    HB3  PRO  59           HB1      PRO  59   5.967  10.925  -0.186
  440    HG2  PRO  59           HG2      PRO  59   7.761  10.184  -2.050
  441    HG3  PRO  59           HG1      PRO  59   8.028   9.922  -0.317
  442    HD2  PRO  59           HD2      PRO  59   7.243   7.969  -2.432
  443    HD3  PRO  59           HD1      PRO  59   8.264   7.743  -0.998
  444    H    ASP  60           HN       ASP  60   2.950   9.552   0.528
  445    HA   ASP  60           HA       ASP  60   1.374   7.937  -1.085
  446    HB2  ASP  60           HB2      ASP  60  -0.490   9.507  -0.620
  447    HB3  ASP  60           HB1      ASP  60   0.406   9.120   0.839
  448    H    ASP  61           HN       ASP  61   3.075  10.739  -1.868
  449    HA   ASP  61           HA       ASP  61   1.803  11.425  -4.337
  450    HB2  ASP  61           HB2      ASP  61   3.192  13.027  -3.183
  451    HB3  ASP  61           HB1      ASP  61   4.581  11.956  -3.293
  452    H    ASP  62           HN       ASP  62   4.098   9.022  -3.479
  453    HA   ASP  62           HA       ASP  62   4.809   8.500  -6.312
  454    HB2  ASP  62           HB2      ASP  62   6.594   8.221  -4.514
  455    HB3  ASP  62           HB1      ASP  62   5.670   6.850  -3.906
  456    H    VAL  63           HN       VAL  63   3.128   7.321  -3.618
  457    HA   VAL  63           HA       VAL  63   2.053   4.929  -4.324
  458    HB   VAL  63           HB       VAL  63   1.099   7.208  -2.614
  459   HG11  VAL  63          HG11      VAL  63  -0.754   5.963  -1.761
  460   HG12  VAL  63          HG12      VAL  63  -0.434   4.634  -2.879
  461   HG13  VAL  63          HG13      VAL  63  -0.993   6.199  -3.495
  462   HG21  VAL  63          HG21      VAL  63   1.446   5.573  -0.851
  463   HG22  VAL  63          HG22      VAL  63   2.887   5.828  -1.838
  464   HG23  VAL  63          HG23      VAL  63   1.907   4.379  -2.063
  465    H    LYS  64           HN       LYS  64   1.372   7.977  -5.749
  466    HA   LYS  64           HA       LYS  64  -1.141   7.431  -6.664
  467    HB2  LYS  64           HB2      LYS  64  -0.885   9.247  -8.317
  468    HB3  LYS  64           HB1      LYS  64  -0.212   9.715  -6.758
  469    HG2  LYS  64           HG2      LYS  64   2.012   9.312  -7.570
  470    HG3  LYS  64           HG1      LYS  64   1.377   8.712  -9.099
  471    HD2  LYS  64           HD2      LYS  64   2.137  10.965  -9.372
  472    HD3  LYS  64           HD1      LYS  64   0.376  10.909  -9.514
  473    HE2  LYS  64           HE2      LYS  64   0.166  11.748  -7.221
  474    HE3  LYS  64           HE1      LYS  64   1.918  11.747  -7.051
  475    HZ1  LYS  64           HZ1      LYS  64   2.029  13.357  -8.866
  476    HZ2  LYS  64           HZ2      LYS  64   1.169  13.971  -7.564
  477    HZ3  LYS  64           HZ3      LYS  64   0.345  13.405  -8.944
  478    H    ASN  65           HN       ASN  65   1.913   6.370  -7.708
  479    HA   ASN  65           HA       ASN  65   1.125   5.656 -10.416
  480    HB2  ASN  65           HB2      ASN  65   3.657   4.977  -8.874
  481    HB3  ASN  65           HB1      ASN  65   3.381   4.652 -10.578
  482   HD21  ASN  65          HD21      ASN  65   4.174   7.011  -8.206
  483   HD22  ASN  65          HD22      ASN  65   4.580   8.284  -9.314
  484    H    LEU  66           HN       LEU  66   1.286   4.482  -7.276
  485    HA   LEU  66           HA       LEU  66   1.381   1.666  -7.995
  486    HB2  LEU  66           HB2      LEU  66   1.222   2.900  -5.293
  487    HB3  LEU  66           HB1      LEU  66   1.679   1.258  -5.751
  488    HG   LEU  66           HG       LEU  66   3.205   3.777  -6.380
  489   HD11  LEU  66          HD11      LEU  66   3.768   1.640  -4.339
  490   HD12  LEU  66          HD12      LEU  66   3.293   3.310  -4.035
  491   HD13  LEU  66          HD13      LEU  66   4.855   2.956  -4.766
  492   HD21  LEU  66          HD21      LEU  66   5.045   2.311  -7.051
  493   HD22  LEU  66          HD22      LEU  66   3.604   2.084  -8.045
  494   HD23  LEU  66          HD23      LEU  66   4.002   0.913  -6.789
  495    H    LYS  67           HN       LYS  67  -0.855   3.193  -8.634
  496    HA   LYS  67           HA       LYS  67  -3.208   3.102  -7.326
  497    HB2  LYS  67           HB2      LYS  67  -4.236   2.661  -9.506
  498    HB3  LYS  67           HB1      LYS  67  -2.939   3.853  -9.580
  499    HG2  LYS  67           HG2      LYS  67  -1.396   2.107 -10.363
  500    HG3  LYS  67           HG1      LYS  67  -2.716   0.946 -10.363
  501    HD2  LYS  67           HD2      LYS  67  -2.424   1.708 -12.598
  502    HD3  LYS  67           HD1      LYS  67  -3.893   2.464 -11.975
  503    HE2  LYS  67           HE2      LYS  67  -2.609   4.101 -13.184
  504    HE3  LYS  67           HE1      LYS  67  -2.597   4.498 -11.465
  505    HZ1  LYS  67           HZ1      LYS  67  -0.340   3.509 -11.332
  506    HZ2  LYS  67           HZ2      LYS  67  -0.394   4.783 -12.407
  507    HZ3  LYS  67           HZ3      LYS  67  -0.386   3.196 -12.985
  508    H    THR  68           HN       THR  68  -1.410   0.192  -7.670
  509    HA   THR  68           HA       THR  68  -3.767  -1.216  -6.763
  510    HB   THR  68           HB       THR  68  -2.958  -3.290  -7.736
  511    HG1  THR  68           HG1      THR  68  -1.411  -2.053  -9.662
  512   HG21  THR  68          HG21      THR  68  -3.467  -1.144  -9.775
  513   HG22  THR  68          HG22      THR  68  -4.671  -2.062  -8.865
  514   HG23  THR  68          HG23      THR  68  -3.646  -2.889 -10.046
  515    H    VAL  69           HN       VAL  69  -3.162  -3.239  -5.606
  516    HA   VAL  69           HA       VAL  69  -1.276  -2.692  -3.569
  517    HB   VAL  69           HB       VAL  69  -2.163  -5.425  -4.446
  518   HG11  VAL  69          HG11      VAL  69  -1.299  -4.318  -1.813
  519   HG12  VAL  69          HG12      VAL  69  -0.318  -5.239  -2.938
  520   HG13  VAL  69          HG13      VAL  69  -1.727  -6.018  -2.145
  521   HG21  VAL  69          HG21      VAL  69  -3.995  -5.242  -2.846
  522   HG22  VAL  69          HG22      VAL  69  -4.145  -4.052  -4.138
  523   HG23  VAL  69          HG23      VAL  69  -3.572  -3.556  -2.540
  524    H    GLY  70           HN       GLY  70  -1.109  -4.518  -6.516
  525    HA2  GLY  70           HA2      GLY  70   1.448  -5.693  -6.010
  526    HA3  GLY  70           HA1      GLY  70   0.567  -5.730  -7.529
  527    H    ASP  71           HN       ASP  71   0.305  -2.820  -7.557
  528    HA   ASP  71           HA       ASP  71   2.674  -2.201  -8.985
  529    HB2  ASP  71           HB2      ASP  71   0.218  -1.160  -8.926
  530    HB3  ASP  71           HB1      ASP  71   0.994  -0.128  -7.745
  531    H    ALA  72           HN       ALA  72   1.294  -1.259  -5.878
  532    HA   ALA  72           HA       ALA  72   3.443   0.292  -4.845
  533    HB1  ALA  72           HB1      ALA  72   2.387  -0.103  -2.702
  534    HB2  ALA  72           HB2      ALA  72   1.336  -1.335  -3.429
  535    HB3  ALA  72           HB3      ALA  72   1.235   0.358  -3.945
  536    H    THR  73           HN       THR  73   2.595  -3.088  -4.361
  537    HA   THR  73           HA       THR  73   4.718  -3.835  -2.745
  538    HB   THR  73           HB       THR  73   3.253  -5.506  -4.813
  539    HG1  THR  73           HG1      THR  73   1.816  -4.661  -3.329
  540   HG21  THR  73          HG21      THR  73   3.856  -7.429  -3.423
  541   HG22  THR  73          HG22      THR  73   4.775  -6.376  -2.348
  542   HG23  THR  73          HG23      THR  73   5.308  -6.618  -4.016
  543    H    LYS  74           HN       LYS  74   4.602  -3.449  -6.236
  544    HA   LYS  74           HA       LYS  74   6.933  -4.860  -6.948
  545    HB2  LYS  74           HB2      LYS  74   4.998  -3.809  -8.383
  546    HB3  LYS  74           HB1      LYS  74   6.022  -2.385  -8.370
  547    HG2  LYS  74           HG2      LYS  74   6.542  -3.493 -10.352
  548    HG3  LYS  74           HG1      LYS  74   7.860  -3.903  -9.248
  549    HD2  LYS  74           HD2      LYS  74   7.146  -5.904 -10.406
  550    HD3  LYS  74           HD1      LYS  74   6.683  -6.010  -8.702
  551    HE2  LYS  74           HE2      LYS  74   4.409  -5.338  -9.248
  552    HE3  LYS  74           HE1      LYS  74   4.847  -5.147 -10.940
  553    HZ1  LYS  74           HZ1      LYS  74   5.362  -7.545 -10.983
  554    HZ2  LYS  74           HZ2      LYS  74   3.744  -7.202 -10.629
  555    HZ3  LYS  74           HZ3      LYS  74   4.766  -7.688  -9.392
  556    H    TYR  75           HN       TYR  75   6.280  -1.438  -6.303
  557    HA   TYR  75           HA       TYR  75   8.908  -0.496  -6.586
  558    HB2  TYR  75           HB2      TYR  75   7.021   0.969  -6.871
  559    HB3  TYR  75           HB1      TYR  75   6.410   0.560  -5.274
  560    HD1  TYR  75           HD1      TYR  75   9.076   2.402  -7.068
  561    HD2  TYR  75           HD2      TYR  75   7.130   1.695  -3.383
  562    HE1  TYR  75           HE1      TYR  75  10.228   4.348  -6.094
  563    HE2  TYR  75           HE2      TYR  75   8.256   3.608  -2.392
  564    HH   TYR  75           HH       TYR  75  10.104   4.973  -2.668
  565    H    ILE  76           HN       ILE  76   6.860  -1.242  -3.835
  566    HA   ILE  76           HA       ILE  76   8.563  -0.517  -1.795
  567    HB   ILE  76           HB       ILE  76   6.329  -2.559  -1.836
  568   HG12  ILE  76          HG12      ILE  76   6.445   0.302  -0.866
  569   HG13  ILE  76          HG11      ILE  76   5.671  -0.272  -2.334
  570   HG21  ILE  76          HG21      ILE  76   7.760  -3.115   0.015
  571   HG22  ILE  76          HG22      ILE  76   6.267  -2.403   0.607
  572   HG23  ILE  76          HG23      ILE  76   7.749  -1.464   0.613
  573   HD11  ILE  76          HD11      ILE  76   4.867  -0.976   0.478
  574   HD12  ILE  76          HD12      ILE  76   4.078  -1.545  -1.001
  575   HD13  ILE  76          HD13      ILE  76   4.041   0.169  -0.591
  576    H    LEU  77           HN       LEU  77   8.200  -3.709  -3.349
  577    HA   LEU  77           HA       LEU  77   9.940  -5.010  -1.549
  578    HB2  LEU  77           HB2      LEU  77   8.152  -5.968  -3.129
  579    HB3  LEU  77           HB1      LEU  77   9.409  -5.984  -4.349
  580    HG   LEU  77           HG       LEU  77   9.546  -7.460  -1.715
  581   HD11  LEU  77          HD11      LEU  77   9.107  -9.476  -3.046
  582   HD12  LEU  77          HD12      LEU  77   8.822  -8.461  -4.466
  583   HD13  LEU  77          HD13      LEU  77   7.763  -8.339  -3.056
  584   HD21  LEU  77          HD21      LEU  77  11.376  -8.719  -2.751
  585   HD22  LEU  77          HD22      LEU  77  11.752  -6.997  -2.676
  586   HD23  LEU  77          HD23      LEU  77  11.243  -7.725  -4.202
  587    H    ASP  78           HN       ASP  78  10.291  -3.636  -4.783
  588    HA   ASP  78           HA       ASP  78  12.939  -4.459  -5.322
  589    HB2  ASP  78           HB2      ASP  78  11.450  -3.699  -7.074
  590    HB3  ASP  78           HB1      ASP  78  11.399  -2.089  -6.363
  591    H    HIS  79           HN       HIS  79  11.636  -1.720  -3.701
  592    HA   HIS  79           HA       HIS  79  14.239  -0.443  -3.503
  593    HB2  HIS  79           HB2      HIS  79  11.443   0.506  -3.017
  594    HB3  HIS  79           HB1      HIS  79  12.806   1.439  -2.444
  595    HD1  HIS  79           HD1      HIS  79  13.324   3.256  -3.994
  596    HD2  HIS  79           HD2      HIS  79  11.837  -0.047  -6.010
  597    HE1  HIS  79           HE1      HIS  79  13.227   3.929  -6.426
  598    HE2  HIS  79           HE2      HIS  79  12.061   2.000  -7.552
  599    H    GLN  80           HN       GLN  80  12.899  -2.791  -1.851
  600    HA   GLN  80           HA       GLN  80  12.602  -2.125   0.794
  601    HB2  GLN  80           HB2      GLN  80  13.583  -4.626  -0.483
  602    HB3  GLN  80           HB1      GLN  80  13.604  -4.466   1.263
  603    HG2  GLN  80           HG2      GLN  80  11.208  -4.250  -0.528
  604    HG3  GLN  80           HG1      GLN  80  11.628  -5.609   0.516
  605   HE21  GLN  80          HE21      GLN  80   9.306  -3.975   0.511
  606   HE22  GLN  80          HE22      GLN  80   9.161  -3.290   2.088
  607    H    ALA  81           HN       ALA  81  13.743  -1.735   2.460
  608    HA   ALA  81           HA       ALA  81  16.626  -1.509   2.195
  609    HB1  ALA  81           HB1      ALA  81  14.719  -0.382   4.248
  610    HB2  ALA  81           HB2      ALA  81  15.444   0.506   2.908
  611    HB3  ALA  81           HB3      ALA  81  16.461  -0.116   4.208
  612    H28  SXH 101          H28B      SXH 101  -5.409   9.396  -2.852
  613   H28A  SXH 101          H28A      SXH 101  -5.916   9.207  -1.195
  614    H30  SXH 101          H30C      SXH 101  -3.600  12.630  -2.061
  615   H30A  SXH 101          H30A      SXH 101  -5.313  12.543  -2.494
  616   H30B  SXH 101          H30B      SXH 101  -4.143  11.561  -3.368
  617    H31  SXH 101          H31A      SXH 101  -5.255  10.634   0.610
  618   H31A  SXH 101          H31C      SXH 101  -4.308  12.091   0.305
  619   H31B  SXH 101          H31B      SXH 101  -5.982  11.996  -0.244
  620    H32  SXH 101          H32A      SXH 101  -2.445  10.710  -0.923
  621   HO33  SXH 101          H33A      SXH 101  -3.461   8.252  -0.668
  622   HN36  SXH 101          H36A      SXH 101  -2.206  10.827  -3.274
  623    H37  SXH 101          H37A      SXH 101  -1.031   9.779  -4.926
  624   H37A  SXH 101          H37B      SXH 101  -1.618   8.202  -4.410
  625    H38  SXH 101          H38A      SXH 101  -3.321  10.352  -5.799
  626   H38A  SXH 101          H38B      SXH 101  -2.354   9.155  -6.621
  627   HN41  SXH 101          H41A      SXH 101  -3.170   7.379  -4.196
  628    H42  SXH 101          H42A      SXH 101  -5.517   6.476  -3.817
  629   H42A  SXH 101          H42B      SXH 101  -5.380   6.080  -5.535
  630    H43  SXH 101          H43A      SXH 101  -3.549   5.208  -3.345
  631   H43A  SXH 101          H43B      SXH 101  -3.287   4.882  -5.073
  632    H2   SXH 101           H2A      SXH 101  -2.379   3.697  -3.317
  633    H2A  SXH 101           H2B      SXH 101  -1.724   2.792  -4.670
  634    H3   SXH 101           H3A      SXH 101  -1.674   0.797  -3.431
  635    H3A  SXH 101           H3B      SXH 101  -2.493   1.564  -2.061
  636    H4   SXH 101           H4B      SXH 101   0.255   2.189  -3.134
  637    H4A  SXH 101           H4A      SXH 101  -0.580   3.186  -1.944
  638    H5   SXH 101           H5A      SXH 101   0.216   0.286  -1.620
  639    H5A  SXH 101           H5B      SXH 101  -0.702   1.233  -0.433
  640    H6   SXH 101           H6C      SXH 101   1.167   2.806  -0.276
  641    H6A  SXH 101           H6A      SXH 101   2.066   1.864  -1.464
  642    H6B  SXH 101           H6B      SXH 101   1.690   1.167   0.110
  Start of MODEL    3
    1    H1   ALA   1           HT1      ALA   1  12.749  -6.602   6.033
    2    H2   ALA   1           HT2      ALA   1  14.351  -6.427   5.519
    3    H3   ALA   1           HT3      ALA   1  13.659  -7.964   5.678
    4    HA   ALA   1           HA       ALA   1  12.736  -5.921   3.779
    5    HB1  ALA   1           HB1      ALA   1  13.687  -7.353   2.044
    6    HB2  ALA   1           HB2      ALA   1  14.328  -8.438   3.278
    7    HB3  ALA   1           HB3      ALA   1  14.940  -6.789   3.150
    8    H    ALA   2           HN       ALA   2  10.769  -6.287   3.132
    9    HA   ALA   2           HA       ALA   2   9.369  -8.660   4.010
   10    HB1  ALA   2           HB1      ALA   2   7.372  -7.527   3.171
   11    HB2  ALA   2           HB2      ALA   2   8.384  -6.253   2.486
   12    HB3  ALA   2           HB3      ALA   2   8.307  -6.475   4.234
   13    H    THR   3           HN       THR   3   7.730  -9.593   2.243
   14    HA   THR   3           HA       THR   3   9.202  -9.911  -0.246
   15    HB   THR   3           HB       THR   3   8.190 -12.189  -0.390
   16    HG1  THR   3           HG1      THR   3   6.894 -12.934   1.023
   17   HG21  THR   3          HG21      THR   3   9.595 -13.317   1.292
   18   HG22  THR   3          HG22      THR   3   9.816 -11.781   2.129
   19   HG23  THR   3          HG23      THR   3  10.464 -12.001   0.504
   20    H    GLN   4           HN       GLN   4   7.145 -11.095  -1.701
   21    HA   GLN   4           HA       GLN   4   5.429  -8.918  -2.131
   22    HB2  GLN   4           HB2      GLN   4   5.920 -10.560  -3.892
   23    HB3  GLN   4           HB1      GLN   4   5.173 -11.833  -2.955
   24    HG2  GLN   4           HG2      GLN   4   3.539  -9.491  -3.858
   25    HG3  GLN   4           HG1      GLN   4   3.944 -10.768  -4.996
   26   HE21  GLN   4          HE21      GLN   4   2.094  -9.914  -2.213
   27   HE22  GLN   4          HE22      GLN   4   1.083 -11.297  -2.140
   28    H    GLU   5           HN       GLU   5   4.922 -11.981  -0.579
   29    HA   GLU   5           HA       GLU   5   2.299 -11.751   0.286
   30    HB2  GLU   5           HB2      GLU   5   4.469 -13.089   1.917
   31    HB3  GLU   5           HB1      GLU   5   2.764 -13.476   1.890
   32    HG2  GLU   5           HG2      GLU   5   3.886 -15.210   0.729
   33    HG3  GLU   5           HG1      GLU   5   3.082 -14.233  -0.500
   34    H    GLU   6           HN       GLU   6   5.254 -10.775   1.923
   35    HA   GLU   6           HA       GLU   6   3.980  -9.909   4.321
   36    HB2  GLU   6           HB2      GLU   6   6.740  -9.344   3.283
   37    HB3  GLU   6           HB1      GLU   6   6.152  -8.791   4.837
   38    HG2  GLU   6           HG2      GLU   6   6.222 -11.660   4.008
   39    HG3  GLU   6           HG1      GLU   6   7.503 -10.864   4.929
   40    H    ILE   7           HN       ILE   7   5.278  -8.032   1.511
   41    HA   ILE   7           HA       ILE   7   4.587  -5.519   2.452
   42    HB   ILE   7           HB       ILE   7   4.445  -6.587  -0.376
   43   HG12  ILE   7          HG12      ILE   7   6.644  -5.034   0.971
   44   HG13  ILE   7          HG11      ILE   7   6.634  -6.789   0.813
   45   HG21  ILE   7          HG21      ILE   7   4.592  -3.736   0.629
   46   HG22  ILE   7          HG22      ILE   7   3.196  -4.492  -0.143
   47   HG23  ILE   7          HG23      ILE   7   4.681  -4.235  -1.060
   48   HD11  ILE   7          HD11      ILE   7   7.973  -5.828  -0.923
   49   HD12  ILE   7          HD12      ILE   7   6.641  -4.781  -1.398
   50   HD13  ILE   7          HD13      ILE   7   6.510  -6.522  -1.616
   51    H    VAL   8           HN       VAL   8   2.763  -7.814   0.567
   52    HA   VAL   8           HA       VAL   8   0.441  -6.244   0.283
   53    HB   VAL   8           HB       VAL   8   0.754  -9.257   0.126
   54   HG11  VAL   8          HG11      VAL   8  -1.570  -8.757   0.669
   55   HG12  VAL   8          HG12      VAL   8  -1.436  -9.264  -1.017
   56   HG13  VAL   8          HG13      VAL   8  -1.635  -7.557  -0.615
   57   HG21  VAL   8          HG21      VAL   8   1.945  -8.042  -1.556
   58   HG22  VAL   8          HG22      VAL   8   0.531  -7.075  -1.923
   59   HG23  VAL   8          HG23      VAL   8   0.536  -8.805  -2.293
   60    H    ALA   9           HN       ALA   9   1.087  -8.831   2.660
   61    HA   ALA   9           HA       ALA   9  -1.398  -8.474   3.983
   62    HB1  ALA   9           HB1      ALA   9   1.127  -9.751   5.031
   63    HB2  ALA   9           HB2      ALA   9  -0.128 -10.571   4.101
   64    HB3  ALA   9           HB3      ALA   9  -0.493  -9.935   5.706
   65    H    GLY  10           HN       GLY  10   1.626  -6.833   4.196
   66    HA2  GLY  10           HA2      GLY  10   1.232  -5.739   6.791
   67    HA3  GLY  10           HA1      GLY  10   2.471  -5.294   5.618
   68    H    LEU  11           HN       LEU  11   0.975  -4.604   3.458
   69    HA   LEU  11           HA       LEU  11  -0.011  -2.005   4.067
   70    HB2  LEU  11           HB2      LEU  11  -0.641  -3.769   1.688
   71    HB3  LEU  11           HB1      LEU  11  -0.940  -2.050   1.791
   72    HG   LEU  11           HG       LEU  11   1.787  -3.331   1.795
   73   HD11  LEU  11          HD11      LEU  11   1.976  -2.422  -0.465
   74   HD12  LEU  11          HD12      LEU  11   0.300  -1.874  -0.382
   75   HD13  LEU  11          HD13      LEU  11   0.667  -3.599  -0.343
   76   HD21  LEU  11          HD21      LEU  11   2.591  -1.041   1.480
   77   HD22  LEU  11          HD22      LEU  11   1.724  -1.213   3.006
   78   HD23  LEU  11          HD23      LEU  11   0.939  -0.440   1.628
   79    H    ALA  12           HN       ALA  12  -1.554  -5.087   3.412
   80    HA   ALA  12           HA       ALA  12  -4.186  -4.310   3.508
   81    HB1  ALA  12           HB1      ALA  12  -3.089  -6.926   4.460
   82    HB2  ALA  12           HB2      ALA  12  -3.480  -6.486   2.778
   83    HB3  ALA  12           HB3      ALA  12  -4.754  -6.541   4.005
   84    H    GLU  13           HN       GLU  13  -2.183  -5.499   6.244
   85    HA   GLU  13           HA       GLU  13  -4.272  -5.368   8.078
   86    HB2  GLU  13           HB2      GLU  13  -2.580  -5.405   9.872
   87    HB3  GLU  13           HB1      GLU  13  -2.250  -6.601   8.633
   88    HG2  GLU  13           HG2      GLU  13  -0.528  -5.223   7.702
   89    HG3  GLU  13           HG1      GLU  13  -0.886  -3.926   8.832
   90    H    ILE  14           HN       ILE  14  -2.273  -2.884   6.885
   91    HA   ILE  14           HA       ILE  14  -3.101  -0.907   8.813
   92    HB   ILE  14           HB       ILE  14  -1.969  -0.476   6.015
   93   HG12  ILE  14          HG12      ILE  14  -0.425  -0.549   8.608
   94   HG13  ILE  14          HG11      ILE  14  -0.622  -1.973   7.593
   95   HG21  ILE  14          HG21      ILE  14  -1.214   1.661   7.006
   96   HG22  ILE  14          HG22      ILE  14  -1.996   1.227   8.527
   97   HG23  ILE  14          HG23      ILE  14  -2.972   1.513   7.083
   98   HD11  ILE  14          HD11      ILE  14   0.457  -0.830   5.769
   99   HD12  ILE  14          HD12      ILE  14   1.505  -0.890   7.184
  100   HD13  ILE  14          HD13      ILE  14   0.673   0.617   6.758
  101    H    VAL  15           HN       VAL  15  -3.866  -1.478   5.371
  102    HA   VAL  15           HA       VAL  15  -5.961   0.280   4.898
  103    HB   VAL  15           HB       VAL  15  -5.707  -2.540   3.801
  104   HG11  VAL  15          HG11      VAL  15  -7.884  -1.505   3.313
  105   HG12  VAL  15          HG12      VAL  15  -6.923  -1.685   1.858
  106   HG13  VAL  15          HG13      VAL  15  -7.066  -0.104   2.625
  107   HG21  VAL  15          HG21      VAL  15  -4.467  -1.568   1.998
  108   HG22  VAL  15          HG22      VAL  15  -3.665  -1.252   3.533
  109   HG23  VAL  15          HG23      VAL  15  -4.580   0.035   2.731
  110    H    ASN  16           HN       ASN  16  -6.059  -2.912   6.334
  111    HA   ASN  16           HA       ASN  16  -8.740  -3.512   6.670
  112    HB2  ASN  16           HB2      ASN  16  -6.375  -3.948   8.441
  113    HB3  ASN  16           HB1      ASN  16  -7.960  -4.336   9.071
  114   HD21  ASN  16          HD21      ASN  16  -6.894  -4.857   5.741
  115   HD22  ASN  16          HD22      ASN  16  -6.867  -6.566   5.881
  116    H    GLU  17           HN       GLU  17  -6.750  -1.428   8.692
  117    HA   GLU  17           HA       GLU  17  -8.881  -1.077  10.554
  118    HB2  GLU  17           HB2      GLU  17  -6.119   0.092  10.477
  119    HB3  GLU  17           HB1      GLU  17  -7.269   0.298  11.794
  120    HG2  GLU  17           HG2      GLU  17  -6.089  -2.299  10.838
  121    HG3  GLU  17           HG1      GLU  17  -5.700  -1.447  12.332
  122    H    ILE  18           HN       ILE  18  -7.457   0.886   8.019
  123    HA   ILE  18           HA       ILE  18  -9.049   3.164   9.022
  124    HB   ILE  18           HB       ILE  18  -7.444   3.351   6.516
  125   HG12  ILE  18          HG12      ILE  18  -6.160   3.712   9.216
  126   HG13  ILE  18          HG11      ILE  18  -6.015   2.188   8.317
  127   HG21  ILE  18          HG21      ILE  18  -7.059   5.613   7.398
  128   HG22  ILE  18          HG22      ILE  18  -7.967   5.207   8.854
  129   HG23  ILE  18          HG23      ILE  18  -8.782   5.249   7.282
  130   HD11  ILE  18          HD11      ILE  18  -5.005   3.402   6.488
  131   HD12  ILE  18          HD12      ILE  18  -4.097   3.694   7.983
  132   HD13  ILE  18          HD13      ILE  18  -5.219   4.907   7.347
  133    H    ALA  19           HN       ALA  19  -8.494   1.519   5.833
  134    HA   ALA  19           HA       ALA  19 -10.882   2.727   4.743
  135    HB1  ALA  19           HB1      ALA  19 -10.419   1.420   2.726
  136    HB2  ALA  19           HB2      ALA  19  -9.164   0.532   3.578
  137    HB3  ALA  19           HB3      ALA  19  -8.970   2.261   3.275
  138    H    GLY  20           HN       GLY  20  -9.931  -0.428   5.882
  139    HA2  GLY  20           HA2      GLY  20 -11.562  -1.768   7.027
  140    HA3  GLY  20           HA1      GLY  20 -12.782  -1.120   5.938
  141    H    ILE  21           HN       ILE  21  -9.998  -1.796   4.145
  142    HA   ILE  21           HA       ILE  21 -11.303  -3.999   2.896
  143    HB   ILE  21           HB       ILE  21  -8.571  -2.796   2.448
  144   HG12  ILE  21          HG12      ILE  21 -10.314  -1.242   1.949
  145   HG13  ILE  21          HG11      ILE  21  -9.695  -1.878   0.425
  146   HG21  ILE  21          HG21      ILE  21  -8.522  -4.042   0.372
  147   HG22  ILE  21          HG22      ILE  21 -10.093  -4.765   0.742
  148   HG23  ILE  21          HG23      ILE  21  -8.689  -5.145   1.734
  149   HD11  ILE  21          HD11      ILE  21 -11.572  -3.423   0.320
  150   HD12  ILE  21          HD12      ILE  21 -12.077  -1.728   0.379
  151   HD13  ILE  21          HD13      ILE  21 -12.195  -2.741   1.830
  152    HA   PRO  22           HA       PRO  22  -9.510  -6.870   5.882
  153    HB2  PRO  22           HB2      PRO  22 -10.503  -8.890   3.971
  154    HB3  PRO  22           HB1      PRO  22 -10.870  -8.682   5.686
  155    HG2  PRO  22           HG2      PRO  22 -12.641  -8.103   3.813
  156    HG3  PRO  22           HG1      PRO  22 -12.508  -7.109   5.281
  157    HD2  PRO  22           HD2      PRO  22 -11.488  -6.563   2.518
  158    HD3  PRO  22           HD1      PRO  22 -12.245  -5.448   3.679
  159    H    VAL  23           HN       VAL  23  -7.988  -8.676   5.890
  160    HA   VAL  23           HA       VAL  23  -5.851  -8.112   4.108
  161    HB   VAL  23           HB       VAL  23  -4.572  -9.943   5.250
  162   HG11  VAL  23          HG11      VAL  23  -5.908  -7.972   7.095
  163   HG12  VAL  23          HG12      VAL  23  -4.460  -7.690   6.126
  164   HG13  VAL  23          HG13      VAL  23  -4.429  -8.863   7.443
  165   HG21  VAL  23          HG21      VAL  23  -7.101 -10.254   6.862
  166   HG22  VAL  23          HG22      VAL  23  -5.551 -11.012   7.250
  167   HG23  VAL  23          HG23      VAL  23  -6.410 -11.447   5.766
  168    H    GLU  24           HN       GLU  24  -8.404 -10.404   4.110
  169    HA   GLU  24           HA       GLU  24  -7.243 -12.223   2.256
  170    HB2  GLU  24           HB2      GLU  24  -8.936 -12.883   3.875
  171    HB3  GLU  24           HB1      GLU  24 -10.065 -11.722   3.205
  172    HG2  GLU  24           HG2      GLU  24 -10.627 -13.924   2.517
  173    HG3  GLU  24           HG1      GLU  24 -10.101 -12.952   1.138
  174    H    ASP  25           HN       ASP  25  -8.701  -9.139   2.068
  175    HA   ASP  25           HA       ASP  25  -9.761  -9.575  -0.599
  176    HB2  ASP  25           HB2      ASP  25 -10.997  -8.234   1.159
  177    HB3  ASP  25           HB1      ASP  25  -9.754  -7.004   1.002
  178    H    VAL  26           HN       VAL  26  -7.362  -7.464   0.980
  179    HA   VAL  26           HA       VAL  26  -6.203  -6.296  -1.273
  180    HB   VAL  26           HB       VAL  26  -4.932  -7.054   1.384
  181   HG11  VAL  26          HG11      VAL  26  -3.188  -6.660  -0.254
  182   HG12  VAL  26          HG12      VAL  26  -3.248  -5.344   0.922
  183   HG13  VAL  26          HG13      VAL  26  -3.924  -5.117  -0.694
  184   HG21  VAL  26          HG21      VAL  26  -6.821  -5.555   1.637
  185   HG22  VAL  26          HG22      VAL  26  -6.124  -4.454   0.448
  186   HG23  VAL  26          HG23      VAL  26  -5.310  -4.717   1.989
  187    H    LYS  27           HN       LYS  27  -5.683  -7.616  -2.934
  188    HA   LYS  27           HA       LYS  27  -3.569  -9.612  -2.516
  189    HB2  LYS  27           HB2      LYS  27  -5.870  -9.639  -4.454
  190    HB3  LYS  27           HB1      LYS  27  -4.532 -10.794  -4.529
  191    HG2  LYS  27           HG2      LYS  27  -6.446 -10.447  -2.225
  192    HG3  LYS  27           HG1      LYS  27  -6.580 -11.686  -3.471
  193    HD2  LYS  27           HD2      LYS  27  -4.502 -12.675  -2.796
  194    HD3  LYS  27           HD1      LYS  27  -4.187 -11.347  -1.677
  195    HE2  LYS  27           HE2      LYS  27  -4.996 -13.358  -0.531
  196    HE3  LYS  27           HE1      LYS  27  -6.075 -11.984  -0.326
  197    HZ1  LYS  27           HZ1      LYS  27  -7.520 -12.941  -2.056
  198    HZ2  LYS  27           HZ2      LYS  27  -7.327 -13.926  -0.731
  199    HZ3  LYS  27           HZ3      LYS  27  -6.519 -14.299  -2.170
  200    H    LEU  28           HN       LEU  28  -2.229  -9.891  -4.622
  201    HA   LEU  28           HA       LEU  28  -0.932  -7.516  -5.236
  202    HB2  LEU  28           HB2      LEU  28   0.085  -9.628  -5.085
  203    HB3  LEU  28           HB1      LEU  28  -0.988 -10.336  -6.295
  204    HG   LEU  28           HG       LEU  28   0.066  -8.431  -7.608
  205   HD11  LEU  28          HD11      LEU  28   1.538  -7.706  -5.752
  206   HD12  LEU  28          HD12      LEU  28   2.534  -8.261  -7.101
  207   HD13  LEU  28          HD13      LEU  28   2.277  -9.306  -5.703
  208   HD21  LEU  28          HD21      LEU  28   1.284 -11.152  -7.215
  209   HD22  LEU  28          HD22      LEU  28   1.691 -10.096  -8.568
  210   HD23  LEU  28          HD23      LEU  28   0.039 -10.686  -8.373
  211    H    ASP  29           HN       ASP  29  -3.764  -8.730  -6.753
  212    HA   ASP  29           HA       ASP  29  -3.027  -7.075  -9.027
  213    HB2  ASP  29           HB2      ASP  29  -4.234  -8.494 -10.384
  214    HB3  ASP  29           HB1      ASP  29  -3.131  -9.491  -9.470
  215    H    LYS  30           HN       LYS  30  -4.415  -6.439  -6.413
  216    HA   LYS  30           HA       LYS  30  -7.051  -5.819  -7.454
  217    HB2  LYS  30           HB2      LYS  30  -6.120  -5.719  -4.594
  218    HB3  LYS  30           HB1      LYS  30  -7.741  -5.580  -5.184
  219    HG2  LYS  30           HG2      LYS  30  -6.065  -7.997  -5.201
  220    HG3  LYS  30           HG1      LYS  30  -7.398  -7.640  -4.106
  221    HD2  LYS  30           HD2      LYS  30  -8.894  -7.596  -6.143
  222    HD3  LYS  30           HD1      LYS  30  -7.530  -8.275  -7.050
  223    HE2  LYS  30           HE2      LYS  30  -7.440 -10.175  -5.563
  224    HE3  LYS  30           HE1      LYS  30  -8.717  -9.490  -4.565
  225    HZ1  LYS  30           HZ1      LYS  30  -9.607 -11.150  -5.919
  226    HZ2  LYS  30           HZ2      LYS  30  -8.941 -10.528  -7.334
  227    HZ3  LYS  30           HZ3      LYS  30 -10.192  -9.688  -6.546
  228    H    SER  31           HN       SER  31  -7.281  -3.890  -7.944
  229    HA   SER  31           HA       SER  31  -5.424  -1.802  -7.302
  230    HB2  SER  31           HB2      SER  31  -8.149  -1.578  -8.590
  231    HB3  SER  31           HB1      SER  31  -6.791  -0.462  -8.745
  232    HG   SER  31           HG       SER  31  -7.070  -3.078  -9.793
  233    H    PHE  32           HN       PHE  32  -5.490  -1.109  -5.283
  234    HA   PHE  32           HA       PHE  32  -7.256  -1.301  -3.282
  235    HB2  PHE  32           HB2      PHE  32  -5.378   0.883  -3.878
  236    HB3  PHE  32           HB1      PHE  32  -6.472   1.077  -2.506
  237    HD1  PHE  32           HD1      PHE  32  -6.487  -0.742  -0.734
  238    HD2  PHE  32           HD2      PHE  32  -3.420  -0.397  -3.697
  239    HE1  PHE  32           HE1      PHE  32  -5.029  -2.099   0.631
  240    HE2  PHE  32           HE2      PHE  32  -1.959  -1.736  -2.350
  241    HZ   PHE  32           HZ       PHE  32  -2.724  -2.617  -0.146
  242    H    THR  33           HN       THR  33  -7.475   1.897  -4.988
  243    HA   THR  33           HA       THR  33 -10.183   2.080  -3.963
  244    HB   THR  33           HB       THR  33  -8.654   4.040  -3.762
  245    HG1  THR  33           HG1      THR  33 -10.808   4.600  -3.785
  246   HG21  THR  33          HG21      THR  33  -8.776   4.154  -6.783
  247   HG22  THR  33          HG22      THR  33  -7.353   3.774  -5.813
  248   HG23  THR  33          HG23      THR  33  -8.061   5.388  -5.743
  249    H    ASP  34           HN       ASP  34 -10.135   0.047  -5.694
  250    HA   ASP  34           HA       ASP  34 -11.784   0.948  -7.926
  251    HB2  ASP  34           HB2      ASP  34  -9.424   1.103  -8.734
  252    HB3  ASP  34           HB1      ASP  34  -9.225  -0.596  -8.368
  253    H    ASP  35           HN       ASP  35  -9.930  -1.758  -6.657
  254    HA   ASP  35           HA       ASP  35 -11.998  -3.719  -7.341
  255    HB2  ASP  35           HB2      ASP  35  -9.536  -3.992  -7.794
  256    HB3  ASP  35           HB1      ASP  35  -9.292  -4.211  -6.092
  257    H    LEU  36           HN       LEU  36  -9.955  -2.830  -4.683
  258    HA   LEU  36           HA       LEU  36 -11.234  -4.461  -2.756
  259    HB2  LEU  36           HB2      LEU  36  -9.333  -2.152  -2.426
  260    HB3  LEU  36           HB1      LEU  36  -9.734  -3.358  -1.213
  261    HG   LEU  36           HG       LEU  36  -8.283  -3.829  -3.810
  262   HD11  LEU  36          HD11      LEU  36  -6.918  -2.729  -2.151
  263   HD12  LEU  36          HD12      LEU  36  -6.401  -4.397  -2.391
  264   HD13  LEU  36          HD13      LEU  36  -7.341  -3.961  -0.965
  265   HD21  LEU  36          HD21      LEU  36  -8.001  -6.106  -3.017
  266   HD22  LEU  36          HD22      LEU  36  -9.700  -5.693  -3.260
  267   HD23  LEU  36          HD23      LEU  36  -9.028  -5.746  -1.630
  268    H    ASP  37           HN       ASP  37 -10.655  -1.134  -2.468
  269    HA   ASP  37           HA       ASP  37 -12.495   0.557  -2.716
  270    HB2  ASP  37           HB2      ASP  37 -14.328  -1.037  -2.012
  271    HB3  ASP  37           HB1      ASP  37 -13.732  -0.942  -0.376
  272    H    VAL  38           HN       VAL  38 -10.264   1.199  -2.105
  273    HA   VAL  38           HA       VAL  38 -10.149   1.836   0.727
  274    HB   VAL  38           HB       VAL  38  -8.079   1.077  -0.669
  275   HG11  VAL  38          HG11      VAL  38  -6.744   2.851  -1.683
  276   HG12  VAL  38          HG12      VAL  38  -8.123   3.945  -1.517
  277   HG13  VAL  38          HG13      VAL  38  -8.247   2.506  -2.539
  278   HG21  VAL  38          HG21      VAL  38  -6.523   2.449   0.636
  279   HG22  VAL  38          HG22      VAL  38  -7.859   1.815   1.602
  280   HG23  VAL  38          HG23      VAL  38  -7.864   3.502   1.088
  281    H    ASP  39           HN       ASP  39 -10.379   3.955   1.498
  282    HA   ASP  39           HA       ASP  39 -12.024   5.646  -0.146
  283    HB2  ASP  39           HB2      ASP  39 -12.167   6.973   1.907
  284    HB3  ASP  39           HB1      ASP  39 -12.514   5.267   2.222
  285    H    SER  40           HN       SER  40  -8.918   5.167  -0.075
  286    HA   SER  40           HA       SER  40  -7.043   6.117  -0.673
  287    HB2  SER  40           HB2      SER  40  -6.995   8.005  -2.146
  288    HB3  SER  40           HB1      SER  40  -8.436   7.057  -2.534
  289    H    LEU  41           HN       LEU  41  -8.866   7.773   1.741
  290    HA   LEU  41           HA       LEU  41  -6.773   9.725   2.200
  291    HB2  LEU  41           HB2      LEU  41  -9.295   9.155   3.768
  292    HB3  LEU  41           HB1      LEU  41  -8.234  10.531   3.994
  293    HG   LEU  41           HG       LEU  41  -9.923   9.980   1.558
  294   HD11  LEU  41          HD11      LEU  41 -10.181  12.060   3.726
  295   HD12  LEU  41          HD12      LEU  41 -11.251  10.680   3.475
  296   HD13  LEU  41          HD13      LEU  41 -11.176  11.970   2.274
  297   HD21  LEU  41          HD21      LEU  41  -9.228  12.205   0.809
  298   HD22  LEU  41          HD22      LEU  41  -7.853  11.110   0.957
  299   HD23  LEU  41          HD23      LEU  41  -8.144  12.332   2.195
  300    H    SER  42           HN       SER  42  -7.900   6.628   3.193
  301    HA   SER  42           HA       SER  42  -6.514   6.359   5.575
  302    HB2  SER  42           HB2      SER  42  -6.728   3.904   4.734
  303    HB3  SER  42           HB1      SER  42  -8.182   4.812   5.180
  304    HG   SER  42           HG       SER  42  -8.830   4.640   3.313
  305    H    MET  43           HN       MET  43  -5.778   6.275   2.209
  306    HA   MET  43           HA       MET  43  -3.571   4.584   2.260
  307    HB2  MET  43           HB2      MET  43  -4.815   5.288   0.203
  308    HB3  MET  43           HB1      MET  43  -3.971   6.832   0.298
  309    HG2  MET  43           HG2      MET  43  -2.890   5.323  -1.264
  310    HG3  MET  43           HG1      MET  43  -1.837   5.688   0.110
  311    HE1  MET  43           HE1      MET  43  -4.952   3.300  -0.010
  312    HE2  MET  43           HE2      MET  43  -4.184   1.751  -0.367
  313    HE3  MET  43           HE3      MET  43  -4.165   3.050  -1.565
  314    H    VAL  44           HN       VAL  44  -3.851   8.018   2.878
  315    HA   VAL  44           HA       VAL  44  -1.142   8.620   2.839
  316    HB   VAL  44           HB       VAL  44  -3.260   9.824   4.657
  317   HG11  VAL  44          HG11      VAL  44  -1.788  11.781   4.781
  318   HG12  VAL  44          HG12      VAL  44  -0.570  10.929   3.833
  319   HG13  VAL  44          HG13      VAL  44  -0.999  10.346   5.441
  320   HG21  VAL  44          HG21      VAL  44  -3.437  11.572   2.939
  321   HG22  VAL  44          HG22      VAL  44  -3.801   9.981   2.261
  322   HG23  VAL  44          HG23      VAL  44  -2.260  10.715   1.951
  323    H    GLU  45           HN       GLU  45  -3.196   7.417   5.471
  324    HA   GLU  45           HA       GLU  45  -1.108   7.343   7.414
  325    HB2  GLU  45           HB2      GLU  45  -3.703   5.813   7.374
  326    HB3  GLU  45           HB1      GLU  45  -2.721   6.199   8.779
  327    HG2  GLU  45           HG2      GLU  45  -4.177   8.194   7.066
  328    HG3  GLU  45           HG1      GLU  45  -4.739   7.574   8.613
  329    H    VAL  46           HN       VAL  46  -2.473   5.138   5.049
  330    HA   VAL  46           HA       VAL  46  -1.250   2.779   5.986
  331    HB   VAL  46           HB       VAL  46  -2.068   3.431   3.104
  332   HG11  VAL  46          HG11      VAL  46  -1.558   0.770   4.408
  333   HG12  VAL  46          HG12      VAL  46  -0.545   1.511   3.150
  334   HG13  VAL  46          HG13      VAL  46  -2.212   1.008   2.797
  335   HG21  VAL  46          HG21      VAL  46  -3.954   3.558   4.629
  336   HG22  VAL  46          HG22      VAL  46  -3.565   1.958   5.262
  337   HG23  VAL  46          HG23      VAL  46  -4.091   2.139   3.589
  338    H    VAL  47           HN       VAL  47  -0.310   5.288   3.796
  339    HA   VAL  47           HA       VAL  47   2.195   4.377   2.882
  340    HB   VAL  47           HB       VAL  47   0.749   7.024   3.071
  341   HG11  VAL  47          HG11      VAL  47   3.086   7.574   3.546
  342   HG12  VAL  47          HG12      VAL  47   2.591   8.151   1.955
  343   HG13  VAL  47          HG13      VAL  47   3.579   6.699   2.096
  344   HG21  VAL  47          HG21      VAL  47   0.165   5.523   1.278
  345   HG22  VAL  47          HG22      VAL  47   1.854   5.430   0.776
  346   HG23  VAL  47          HG23      VAL  47   0.976   6.954   0.642
  347    H    VAL  48           HN       VAL  48   1.494   6.720   5.454
  348    HA   VAL  48           HA       VAL  48   4.178   6.889   6.224
  349    HB   VAL  48           HB       VAL  48   1.750   7.415   7.965
  350   HG11  VAL  48          HG11      VAL  48   3.212   8.969   9.177
  351   HG12  VAL  48          HG12      VAL  48   4.577   8.476   8.172
  352   HG13  VAL  48          HG13      VAL  48   3.827   7.318   9.271
  353   HG21  VAL  48          HG21      VAL  48   1.630   8.595   5.883
  354   HG22  VAL  48          HG22      VAL  48   3.288   9.133   6.072
  355   HG23  VAL  48          HG23      VAL  48   2.036   9.746   7.174
  356    H    ALA  49           HN       ALA  49   1.856   4.522   6.933
  357    HA   ALA  49           HA       ALA  49   3.347   3.368   9.129
  358    HB1  ALA  49           HB1      ALA  49   1.028   2.255   7.545
  359    HB2  ALA  49           HB2      ALA  49   0.906   3.156   9.053
  360    HB3  ALA  49           HB3      ALA  49   1.678   1.568   9.034
  361    H    ALA  50           HN       ALA  50   2.689   2.613   5.745
  362    HA   ALA  50           HA       ALA  50   4.242   0.305   5.547
  363    HB1  ALA  50           HB1      ALA  50   4.153   0.659   3.126
  364    HB2  ALA  50           HB2      ALA  50   3.572   2.305   3.387
  365    HB3  ALA  50           HB3      ALA  50   2.577   0.932   3.872
  366    H    GLU  51           HN       GLU  51   4.992   3.719   5.069
  367    HA   GLU  51           HA       GLU  51   7.515   3.655   3.982
  368    HB2  GLU  51           HB2      GLU  51   6.368   5.466   6.029
  369    HB3  GLU  51           HB1      GLU  51   7.923   5.753   5.312
  370    HG2  GLU  51           HG2      GLU  51   6.879   5.982   3.116
  371    HG3  GLU  51           HG1      GLU  51   5.297   5.710   3.836
  372    H    GLU  52           HN       GLU  52   6.391   3.328   7.210
  373    HA   GLU  52           HA       GLU  52   9.026   3.545   8.366
  374    HB2  GLU  52           HB2      GLU  52   6.864   4.377   9.406
  375    HB3  GLU  52           HB1      GLU  52   6.534   2.694   9.798
  376    HG2  GLU  52           HG2      GLU  52   7.511   3.811  11.681
  377    HG3  GLU  52           HG1      GLU  52   8.638   2.596  11.057
  378    H    ARG  53           HN       ARG  53   6.621   1.004   7.848
  379    HA   ARG  53           HA       ARG  53   8.130  -0.868   9.374
  380    HB2  ARG  53           HB2      ARG  53   6.447  -2.491   8.806
  381    HB3  ARG  53           HB1      ARG  53   5.692  -0.943   9.192
  382    HG2  ARG  53           HG2      ARG  53   5.128  -0.528   6.980
  383    HG3  ARG  53           HG1      ARG  53   6.182  -1.812   6.381
  384    HD2  ARG  53           HD2      ARG  53   3.700  -2.204   8.059
  385    HD3  ARG  53           HD1      ARG  53   3.868  -2.452   6.310
  386    HE   ARG  53           HE       ARG  53   5.779  -4.059   7.202
  387   HH11  ARG  53          HH11      ARG  53   2.559  -3.709   8.639
  388   HH12  ARG  53          HH12      ARG  53   2.317  -5.389   8.851
  389   HH21  ARG  53          HH21      ARG  53   5.477  -6.369   7.570
  390   HH22  ARG  53          HH22      ARG  53   4.013  -6.919   8.208
  391    H    PHE  54           HN       PHE  54   7.756  -0.176   5.972
  392    HA   PHE  54           HA       PHE  54   9.435  -2.418   5.277
  393    HB2  PHE  54           HB2      PHE  54   8.158  -0.281   3.563
  394    HB3  PHE  54           HB1      PHE  54   9.047  -1.671   2.964
  395    HD1  PHE  54           HD1      PHE  54   8.115  -3.974   4.111
  396    HD2  PHE  54           HD2      PHE  54   5.888  -0.440   3.360
  397    HE1  PHE  54           HE1      PHE  54   6.049  -5.296   4.057
  398    HE2  PHE  54           HE2      PHE  54   3.815  -1.757   3.310
  399    HZ   PHE  54           HZ       PHE  54   3.874  -4.158   3.714
  400    H    ASP  55           HN       ASP  55   9.676   0.800   6.155
  401    HA   ASP  55           HA       ASP  55  11.231   2.386   6.288
  402    HB2  ASP  55           HB2      ASP  55  12.404   0.431   7.448
  403    HB3  ASP  55           HB1      ASP  55  13.305   0.209   5.957
  404    H    VAL  56           HN       VAL  56  10.327   1.446   3.685
  405    HA   VAL  56           HA       VAL  56  12.591   2.192   2.000
  406    HB   VAL  56           HB       VAL  56  11.489   0.104   1.366
  407   HG11  VAL  56          HG11      VAL  56   9.259   0.470   2.141
  408   HG12  VAL  56          HG12      VAL  56   9.236   0.108   0.405
  409   HG13  VAL  56          HG13      VAL  56   9.023   1.764   0.964
  410   HG21  VAL  56          HG21      VAL  56  11.086   0.548  -0.976
  411   HG22  VAL  56          HG22      VAL  56  12.505   1.408  -0.378
  412   HG23  VAL  56          HG23      VAL  56  10.987   2.278  -0.640
  413    H    LYS  57           HN       LYS  57   9.484   3.174   2.974
  414    HA   LYS  57           HA       LYS  57   8.295   5.056   2.816
  415    HB2  LYS  57           HB2      LYS  57  10.218   6.217   3.557
  416    HB3  LYS  57           HB1      LYS  57  10.932   6.223   1.956
  417    HG2  LYS  57           HG2      LYS  57   9.283   7.775   1.149
  418    HG3  LYS  57           HG1      LYS  57   8.388   7.676   2.664
  419    HD2  LYS  57           HD2      LYS  57  11.219   8.693   2.422
  420    HD3  LYS  57           HD1      LYS  57   9.788   9.728   2.438
  421    HE2  LYS  57           HE2      LYS  57   9.201   8.856   4.660
  422    HE3  LYS  57           HE1      LYS  57  10.624   7.838   4.653
  423    HZ1  LYS  57           HZ1      LYS  57  10.991   9.848   5.893
  424    HZ2  LYS  57           HZ2      LYS  57  10.694  10.804   4.511
  425    HZ3  LYS  57           HZ3      LYS  57  12.010   9.747   4.553
  426    H    ILE  58           HN       ILE  58   6.692   4.994   1.497
  427    HA   ILE  58           HA       ILE  58   7.120   5.737  -1.316
  428    HB   ILE  58           HB       ILE  58   4.660   4.175  -0.456
  429   HG12  ILE  58          HG12      ILE  58   5.857   2.124  -1.572
  430   HG13  ILE  58          HG11      ILE  58   7.328   3.009  -1.153
  431   HG21  ILE  58          HG21      ILE  58   5.950   4.563  -3.134
  432   HG22  ILE  58          HG22      ILE  58   4.467   5.310  -2.534
  433   HG23  ILE  58          HG23      ILE  58   4.520   3.593  -2.817
  434   HD11  ILE  58          HD11      ILE  58   6.749   2.956   1.191
  435   HD12  ILE  58          HD12      ILE  58   6.783   1.323   0.526
  436   HD13  ILE  58          HD13      ILE  58   5.240   2.122   0.823
  437    HA   PRO  59           HA       PRO  59   4.819   8.867   1.053
  438    HB2  PRO  59           HB2      PRO  59   5.462  10.494  -1.346
  439    HB3  PRO  59           HB1      PRO  59   5.811  10.830   0.354
  440    HG2  PRO  59           HG2      PRO  59   7.774  10.154  -1.312
  441    HG3  PRO  59           HG1      PRO  59   7.746   9.534   0.350
  442    HD2  PRO  59           HD2      PRO  59   6.882   8.184  -2.184
  443    HD3  PRO  59           HD1      PRO  59   7.891   7.518  -0.887
  444    H    ASP  60           HN       ASP  60   2.711   9.723   0.712
  445    HA   ASP  60           HA       ASP  60   1.053   8.278  -1.000
  446    HB2  ASP  60           HB2      ASP  60  -0.781   9.741  -0.378
  447    HB3  ASP  60           HB1      ASP  60   0.211   9.482   1.035
  448    H    ASP  61           HN       ASP  61   2.826  11.140  -1.649
  449    HA   ASP  61           HA       ASP  61   1.528  11.884  -4.099
  450    HB2  ASP  61           HB2      ASP  61   2.878  13.487  -2.838
  451    HB3  ASP  61           HB1      ASP  61   4.292  12.463  -3.009
  452    H    ASP  62           HN       ASP  62   3.975   9.623  -3.304
  453    HA   ASP  62           HA       ASP  62   4.487   9.168  -6.162
  454    HB2  ASP  62           HB2      ASP  62   6.482   9.125  -4.609
  455    HB3  ASP  62           HB1      ASP  62   5.795   7.664  -3.885
  456    H    VAL  63           HN       VAL  63   2.999   7.771  -3.443
  457    HA   VAL  63           HA       VAL  63   2.620   5.129  -4.269
  458    HB   VAL  63           HB       VAL  63   2.157   6.424  -1.993
  459   HG11  VAL  63          HG11      VAL  63  -0.197   6.507  -1.389
  460   HG12  VAL  63          HG12      VAL  63  -0.619   6.220  -3.073
  461   HG13  VAL  63          HG13      VAL  63   0.259   7.681  -2.620
  462   HG21  VAL  63          HG21      VAL  63   0.751   3.907  -2.795
  463   HG22  VAL  63          HG22      VAL  63   0.971   4.465  -1.139
  464   HG23  VAL  63          HG23      VAL  63   2.375   4.062  -2.130
  465    H    LYS  64           HN       LYS  64   0.885   7.971  -5.151
  466    HA   LYS  64           HA       LYS  64  -1.371   7.036  -6.284
  467    HB2  LYS  64           HB2      LYS  64  -1.285   8.913  -7.918
  468    HB3  LYS  64           HB1      LYS  64  -0.835   9.421  -6.290
  469    HG2  LYS  64           HG2      LYS  64   1.496   9.373  -6.905
  470    HG3  LYS  64           HG1      LYS  64   1.077   8.795  -8.513
  471    HD2  LYS  64           HD2      LYS  64   1.584  11.163  -8.489
  472    HD3  LYS  64           HD1      LYS  64  -0.104  10.872  -8.955
  473    HE2  LYS  64           HE2      LYS  64  -0.855  11.558  -6.784
  474    HE3  LYS  64           HE1      LYS  64   0.799  11.595  -6.169
  475    HZ1  LYS  64           HZ1      LYS  64   1.274  13.377  -7.698
  476    HZ2  LYS  64           HZ2      LYS  64   0.051  13.820  -6.631
  477    HZ3  LYS  64           HZ3      LYS  64  -0.322  13.424  -8.244
  478    H    ASN  65           HN       ASN  65   1.829   6.768  -7.456
  479    HA   ASN  65           HA       ASN  65   1.243   6.060 -10.167
  480    HB2  ASN  65           HB2      ASN  65   3.765   5.774  -8.536
  481    HB3  ASN  65           HB1      ASN  65   3.651   5.544 -10.278
  482   HD21  ASN  65          HD21      ASN  65   5.010   7.548  -8.412
  483   HD22  ASN  65          HD22      ASN  65   4.611   9.063  -9.101
  484    H    LEU  66           HN       LEU  66   0.981   4.420  -7.311
  485    HA   LEU  66           HA       LEU  66   1.667   1.803  -8.407
  486    HB2  LEU  66           HB2      LEU  66   0.680   2.463  -5.645
  487    HB3  LEU  66           HB1      LEU  66   1.467   0.977  -6.125
  488    HG   LEU  66           HG       LEU  66   2.769   3.672  -6.043
  489   HD11  LEU  66          HD11      LEU  66   3.968   2.797  -4.100
  490   HD12  LEU  66          HD12      LEU  66   2.977   1.336  -4.166
  491   HD13  LEU  66          HD13      LEU  66   2.231   2.902  -3.832
  492   HD21  LEU  66          HD21      LEU  66   4.868   2.440  -6.292
  493   HD22  LEU  66          HD22      LEU  66   3.803   2.231  -7.684
  494   HD23  LEU  66          HD23      LEU  66   3.953   0.946  -6.484
  495    H    LYS  67           HN       LYS  67  -0.704   3.166  -6.822
  496    HA   LYS  67           HA       LYS  67  -2.967   2.881  -6.380
  497    HB2  LYS  67           HB2      LYS  67  -4.546   2.675  -8.365
  498    HB3  LYS  67           HB1      LYS  67  -3.464   4.052  -8.345
  499    HG2  LYS  67           HG2      LYS  67  -2.123   3.167 -10.010
  500    HG3  LYS  67           HG1      LYS  67  -2.805   1.560  -9.832
  501    HD2  LYS  67           HD2      LYS  67  -4.302   4.010 -10.836
  502    HD3  LYS  67           HD1      LYS  67  -3.561   2.812 -11.896
  503    HE2  LYS  67           HE2      LYS  67  -5.031   1.083 -10.885
  504    HE3  LYS  67           HE1      LYS  67  -5.811   2.347  -9.935
  505    HZ1  LYS  67           HZ1      LYS  67  -6.576   3.391 -11.966
  506    HZ2  LYS  67           HZ2      LYS  67  -7.046   1.770 -11.973
  507    HZ3  LYS  67           HZ3      LYS  67  -5.721   2.266 -12.899
  508    H    THR  68           HN       THR  68  -1.631   0.108  -7.848
  509    HA   THR  68           HA       THR  68  -3.847  -1.449  -6.735
  510    HB   THR  68           HB       THR  68  -2.862  -3.399  -7.829
  511    HG1  THR  68           HG1      THR  68  -1.103  -2.152  -9.476
  512   HG21  THR  68          HG21      THR  68  -4.462  -2.066  -9.045
  513   HG22  THR  68          HG22      THR  68  -3.274  -2.782 -10.141
  514   HG23  THR  68          HG23      THR  68  -3.164  -1.062  -9.697
  515    H    VAL  69           HN       VAL  69  -3.077  -3.530  -5.690
  516    HA   VAL  69           HA       VAL  69  -1.276  -2.887  -3.574
  517    HB   VAL  69           HB       VAL  69  -2.133  -5.661  -4.388
  518   HG11  VAL  69          HG11      VAL  69  -1.346  -4.443  -1.780
  519   HG12  VAL  69          HG12      VAL  69  -0.293  -5.309  -2.880
  520   HG13  VAL  69          HG13      VAL  69  -1.676  -6.165  -2.113
  521   HG21  VAL  69          HG21      VAL  69  -3.559  -3.723  -2.548
  522   HG22  VAL  69          HG22      VAL  69  -3.996  -5.411  -2.816
  523   HG23  VAL  69          HG23      VAL  69  -4.138  -4.243  -4.131
  524    H    GLY  70           HN       GLY  70  -1.030  -5.115  -6.353
  525    HA2  GLY  70           HA2      GLY  70   1.552  -5.838  -5.709
  526    HA3  GLY  70           HA1      GLY  70   0.782  -6.148  -7.252
  527    H    ASP  71           HN       ASP  71   0.471  -3.064  -7.502
  528    HA   ASP  71           HA       ASP  71   2.986  -2.579  -8.779
  529    HB2  ASP  71           HB2      ASP  71   0.613  -1.360  -9.012
  530    HB3  ASP  71           HB1      ASP  71   1.336  -0.383  -7.756
  531    H    ALA  72           HN       ALA  72   1.482  -1.676  -5.796
  532    HA   ALA  72           HA       ALA  72   3.520  -0.051  -4.649
  533    HB1  ALA  72           HB1      ALA  72   1.501  -1.855  -3.330
  534    HB2  ALA  72           HB2      ALA  72   1.244  -0.163  -3.763
  535    HB3  ALA  72           HB3      ALA  72   2.435  -0.589  -2.534
  536    H    THR  73           HN       THR  73   2.669  -3.411  -4.320
  537    HA   THR  73           HA       THR  73   4.744  -4.247  -2.700
  538    HB   THR  73           HB       THR  73   3.276  -5.826  -4.833
  539    HG1  THR  73           HG1      THR  73   1.809  -4.873  -3.410
  540   HG21  THR  73          HG21      THR  73   3.723  -7.750  -3.392
  541   HG22  THR  73          HG22      THR  73   4.604  -6.716  -2.270
  542   HG23  THR  73          HG23      THR  73   5.240  -6.999  -3.895
  543    H    LYS  74           HN       LYS  74   4.641  -3.694  -6.149
  544    HA   LYS  74           HA       LYS  74   6.973  -5.105  -6.884
  545    HB2  LYS  74           HB2      LYS  74   5.079  -4.251  -8.369
  546    HB3  LYS  74           HB1      LYS  74   5.811  -2.665  -8.225
  547    HG2  LYS  74           HG2      LYS  74   6.463  -3.675 -10.302
  548    HG3  LYS  74           HG1      LYS  74   7.871  -3.570  -9.241
  549    HD2  LYS  74           HD2      LYS  74   7.716  -5.751 -10.395
  550    HD3  LYS  74           HD1      LYS  74   7.640  -5.898  -8.638
  551    HE2  LYS  74           HE2      LYS  74   5.196  -6.060  -8.755
  552    HE3  LYS  74           HE1      LYS  74   5.261  -5.915 -10.502
  553    HZ1  LYS  74           HZ1      LYS  74   6.519  -7.960 -10.620
  554    HZ2  LYS  74           HZ2      LYS  74   5.065  -8.227  -9.816
  555    HZ3  LYS  74           HZ3      LYS  74   6.511  -8.106  -8.934
  556    H    TYR  75           HN       TYR  75   6.234  -1.723  -6.259
  557    HA   TYR  75           HA       TYR  75   8.800  -0.677  -6.583
  558    HB2  TYR  75           HB2      TYR  75   6.755   0.625  -6.745
  559    HB3  TYR  75           HB1      TYR  75   6.390   0.299  -5.055
  560    HD1  TYR  75           HD1      TYR  75   9.347   1.586  -6.997
  561    HD2  TYR  75           HD2      TYR  75   6.716   2.033  -3.709
  562    HE1  TYR  75           HE1      TYR  75  10.523   3.608  -6.355
  563    HE2  TYR  75           HE2      TYR  75   7.886   4.061  -3.035
  564    HH   TYR  75           HH       TYR  75  10.158   4.971  -3.329
  565    H    ILE  76           HN       ILE  76   6.951  -1.640  -3.776
  566    HA   ILE  76           HA       ILE  76   8.804  -0.844  -1.845
  567    HB   ILE  76           HB       ILE  76   6.501  -2.817  -1.672
  568   HG12  ILE  76          HG12      ILE  76   6.695   0.087  -0.836
  569   HG13  ILE  76          HG11      ILE  76   5.976  -0.480  -2.331
  570   HG21  ILE  76          HG21      ILE  76   8.113  -3.178   0.148
  571   HG22  ILE  76          HG22      ILE  76   6.598  -2.509   0.741
  572   HG23  ILE  76          HG23      ILE  76   8.011  -1.473   0.586
  573   HD11  ILE  76          HD11      ILE  76   5.003  -1.128   0.443
  574   HD12  ILE  76          HD12      ILE  76   4.289  -1.685  -1.083
  575   HD13  ILE  76          HD13      ILE  76   4.291   0.031  -0.696
  576    H    LEU  77           HN       LEU  77   8.162  -4.044  -3.345
  577    HA   LEU  77           HA       LEU  77   9.918  -5.469  -1.716
  578    HB2  LEU  77           HB2      LEU  77   8.147  -6.479  -3.086
  579    HB3  LEU  77           HB1      LEU  77   9.040  -6.090  -4.530
  580    HG   LEU  77           HG       LEU  77  10.835  -7.632  -3.867
  581   HD11  LEU  77          HD11      LEU  77  10.517  -9.139  -1.996
  582   HD12  LEU  77          HD12      LEU  77   9.040  -8.285  -1.553
  583   HD13  LEU  77          HD13      LEU  77  10.595  -7.459  -1.467
  584   HD21  LEU  77          HD21      LEU  77   9.006  -8.426  -5.270
  585   HD22  LEU  77          HD22      LEU  77   8.079  -8.851  -3.831
  586   HD23  LEU  77          HD23      LEU  77   9.580  -9.701  -4.199
  587    H    ASP  78           HN       ASP  78  10.190  -4.031  -4.944
  588    HA   ASP  78           HA       ASP  78  12.753  -4.850  -5.692
  589    HB2  ASP  78           HB2      ASP  78  11.233  -3.903  -7.271
  590    HB3  ASP  78           HB1      ASP  78  11.155  -2.399  -6.368
  591    H    HIS  79           HN       HIS  79  11.675  -2.219  -3.719
  592    HA   HIS  79           HA       HIS  79  14.372  -1.156  -3.543
  593    HB2  HIS  79           HB2      HIS  79  11.682  -0.008  -3.106
  594    HB3  HIS  79           HB1      HIS  79  13.020   0.667  -2.200
  595    HD1  HIS  79           HD1      HIS  79  14.403   2.331  -3.348
  596    HD2  HIS  79           HD2      HIS  79  11.989   0.256  -6.006
  597    HE1  HIS  79           HE1      HIS  79  14.658   3.515  -5.543
  598    HE2  HIS  79           HE2      HIS  79  12.854   2.561  -6.908
  599    H    GLN  80           HN       GLN  80  12.867  -3.483  -1.949
  600    HA   GLN  80           HA       GLN  80  12.654  -2.976   0.711
  601    HB2  GLN  80           HB2      GLN  80  13.590  -5.401  -0.736
  602    HB3  GLN  80           HB1      GLN  80  13.625  -5.407   1.012
  603    HG2  GLN  80           HG2      GLN  80  11.226  -4.990  -0.743
  604    HG3  GLN  80           HG1      GLN  80  11.625  -6.443   0.178
  605   HE21  GLN  80          HE21      GLN  80   9.316  -4.905   0.308
  606   HE22  GLN  80          HE22      GLN  80   9.181  -4.219   1.892
  607    H    ALA  81           HN       ALA  81  13.878  -2.245   2.272
  608    HA   ALA  81           HA       ALA  81  16.775  -2.477   2.076
  609    HB1  ALA  81           HB1      ALA  81  16.877  -0.321   3.252
  610    HB2  ALA  81           HB2      ALA  81  15.116  -0.224   3.223
  611    HB3  ALA  81           HB3      ALA  81  16.028  -0.169   1.713
  612    H28  SXH 101          H28B      SXH 101  -5.630   9.710  -2.646
  613   H28A  SXH 101          H28A      SXH 101  -5.986   9.300  -0.979
  614    H30  SXH 101          H30C      SXH 101  -3.604  12.669  -1.838
  615   H30A  SXH 101          H30A      SXH 101  -5.308  12.647  -2.304
  616   H30B  SXH 101          H30B      SXH 101  -4.159  11.575  -3.110
  617    H31  SXH 101          H31A      SXH 101  -5.953  12.271   0.002
  618   H31A  SXH 101          H31C      SXH 101  -5.323  10.884   0.891
  619   H31B  SXH 101          H31B      SXH 101  -4.266  12.249   0.520
  620    H32  SXH 101          H32A      SXH 101  -2.522  10.687  -0.758
  621   HO33  SXH 101          H33A      SXH 101  -3.843   8.377  -0.315
  622   HN36  SXH 101          H36A      SXH 101  -2.301  10.599  -3.089
  623    H37  SXH 101          H37A      SXH 101  -1.402   9.352  -4.731
  624   H37A  SXH 101          H37B      SXH 101  -2.103   7.870  -4.077
  625    H38  SXH 101          H38A      SXH 101  -3.679  10.133  -5.383
  626   H38A  SXH 101          H38B      SXH 101  -2.936   8.892  -6.330
  627   HN41  SXH 101          H41A      SXH 101  -3.593   6.921  -4.069
  628    H42  SXH 101          H42A      SXH 101  -6.191   6.669  -3.569
  629   H42A  SXH 101          H42B      SXH 101  -5.996   5.876  -5.147
  630    H43  SXH 101          H43A      SXH 101  -5.872   4.441  -2.999
  631   H43A  SXH 101          H43B      SXH 101  -4.327   5.307  -2.671
  632    H2   SXH 101           H2A      SXH 101  -0.723   3.774  -3.236
  633    H2A  SXH 101           H2B      SXH 101  -0.969   3.297  -4.891
  634    H3   SXH 101           H3A      SXH 101  -2.266   1.551  -4.459
  635    H3A  SXH 101           H3B      SXH 101  -2.782   2.113  -2.860
  636    H4   SXH 101           H4B      SXH 101  -1.199   0.169  -2.819
  637    H4A  SXH 101           H4A      SXH 101   0.022   1.209  -3.557
  638    H5   SXH 101           H5A      SXH 101  -1.345   1.692  -0.905
  639    H5A  SXH 101           H5B      SXH 101  -0.107   2.727  -1.627
  640    H6   SXH 101           H6C      SXH 101   0.231  -0.136  -0.798
  641    H6A  SXH 101           H6A      SXH 101   0.833   1.276   0.066
  642    H6B  SXH 101           H6B      SXH 101   1.473   0.882  -1.530
  Start of MODEL    4
    1    H1   ALA   1           HT1      ALA   1  14.014  -7.946   4.603
    2    H2   ALA   1           HT2      ALA   1  15.239  -8.156   3.429
    3    H3   ALA   1           HT3      ALA   1  14.083  -9.362   3.704
    4    HA   ALA   1           HA       ALA   1  13.401  -6.685   2.726
    5    HB1  ALA   1           HB1      ALA   1  14.775  -7.877   1.078
    6    HB2  ALA   1           HB2      ALA   1  13.103  -7.744   0.540
    7    HB3  ALA   1           HB3      ALA   1  13.701  -9.274   1.187
    8    H    ALA   2           HN       ALA   2  11.347  -7.645   1.151
    9    HA   ALA   2           HA       ALA   2   9.627  -9.199   2.876
   10    HB1  ALA   2           HB1      ALA   2   8.920  -6.515   1.659
   11    HB2  ALA   2           HB2      ALA   2   9.067  -6.869   3.380
   12    HB3  ALA   2           HB3      ALA   2   7.773  -7.606   2.436
   13    H    THR   3           HN       THR   3   7.711  -9.960   1.432
   14    HA   THR   3           HA       THR   3   8.719 -10.272  -1.299
   15    HB   THR   3           HB       THR   3   7.393 -12.382  -1.282
   16    HG1  THR   3           HG1      THR   3   7.236 -12.528   1.486
   17   HG21  THR   3          HG21      THR   3   9.802 -12.466  -0.800
   18   HG22  THR   3          HG22      THR   3   8.930 -13.686   0.125
   19   HG23  THR   3          HG23      THR   3   9.470 -12.201   0.910
   20    H    GLN   4           HN       GLN   4   6.297 -11.420  -2.228
   21    HA   GLN   4           HA       GLN   4   4.683  -9.107  -2.412
   22    HB2  GLN   4           HB2      GLN   4   4.875 -10.640  -4.320
   23    HB3  GLN   4           HB1      GLN   4   4.272 -11.967  -3.354
   24    HG2  GLN   4           HG2      GLN   4   2.529  -9.583  -3.802
   25    HG3  GLN   4           HG1      GLN   4   2.753 -10.746  -5.105
   26   HE21  GLN   4          HE21      GLN   4   1.416 -10.214  -1.953
   27   HE22  GLN   4          HE22      GLN   4   0.453 -11.630  -1.885
   28    H    GLU   5           HN       GLU   5   4.523 -12.231  -0.823
   29    HA   GLU   5           HA       GLU   5   2.050 -11.977   0.445
   30    HB2  GLU   5           HB2      GLU   5   4.559 -13.395   1.309
   31    HB3  GLU   5           HB1      GLU   5   3.037 -13.531   2.171
   32    HG2  GLU   5           HG2      GLU   5   3.471 -14.289  -0.704
   33    HG3  GLU   5           HG1      GLU   5   3.456 -15.410   0.657
   34    H    GLU   6           HN       GLU   6   5.206 -10.996   1.517
   35    HA   GLU   6           HA       GLU   6   4.320 -10.096   4.071
   36    HB2  GLU   6           HB2      GLU   6   6.928  -9.784   2.660
   37    HB3  GLU   6           HB1      GLU   6   6.597  -8.806   4.075
   38    HG2  GLU   6           HG2      GLU   6   7.858 -10.773   4.687
   39    HG3  GLU   6           HG1      GLU   6   6.247 -10.807   5.392
   40    H    ILE   7           HN       ILE   7   5.327  -8.111   1.190
   41    HA   ILE   7           HA       ILE   7   4.648  -5.696   2.366
   42    HB   ILE   7           HB       ILE   7   4.507  -6.487  -0.549
   43   HG12  ILE   7          HG12      ILE   7   6.690  -5.177   1.067
   44   HG13  ILE   7          HG11      ILE   7   6.667  -6.854   0.558
   45   HG21  ILE   7          HG21      ILE   7   3.257  -4.411  -0.095
   46   HG22  ILE   7          HG22      ILE   7   4.732  -4.077  -1.001
   47   HG23  ILE   7          HG23      ILE   7   4.666  -3.745   0.729
   48   HD11  ILE   7          HD11      ILE   7   6.692  -6.163  -1.758
   49   HD12  ILE   7          HD12      ILE   7   8.077  -5.532  -0.864
   50   HD13  ILE   7          HD13      ILE   7   6.718  -4.476  -1.251
   51    H    VAL   8           HN       VAL   8   2.697  -7.928   0.484
   52    HA   VAL   8           HA       VAL   8   0.399  -6.312   0.355
   53    HB   VAL   8           HB       VAL   8   0.670  -9.326   0.138
   54   HG11  VAL   8          HG11      VAL   8  -1.785  -7.638  -0.396
   55   HG12  VAL   8          HG12      VAL   8  -1.607  -8.793   0.924
   56   HG13  VAL   8          HG13      VAL   8  -1.617  -9.358  -0.746
   57   HG21  VAL   8          HG21      VAL   8   0.243  -7.108  -1.837
   58   HG22  VAL   8          HG22      VAL   8   0.195  -8.827  -2.236
   59   HG23  VAL   8          HG23      VAL   8   1.686  -8.097  -1.644
   60    H    ALA   9           HN       ALA   9   1.204  -8.869   2.738
   61    HA   ALA   9           HA       ALA   9  -1.176  -8.610   4.212
   62    HB1  ALA   9           HB1      ALA   9  -0.002  -9.795   5.991
   63    HB2  ALA   9           HB2      ALA   9   1.540  -9.487   5.196
   64    HB3  ALA   9           HB3      ALA   9   0.345 -10.530   4.425
   65    H    GLY  10           HN       GLY  10   1.810  -6.793   4.292
   66    HA2  GLY  10           HA2      GLY  10   1.362  -5.534   6.786
   67    HA3  GLY  10           HA1      GLY  10   2.546  -5.079   5.563
   68    H    LEU  11           HN       LEU  11   0.979  -4.610   3.407
   69    HA   LEU  11           HA       LEU  11  -0.076  -2.023   3.929
   70    HB2  LEU  11           HB2      LEU  11  -0.609  -3.845   1.578
   71    HB3  LEU  11           HB1      LEU  11  -0.952  -2.132   1.645
   72    HG   LEU  11           HG       LEU  11   1.770  -3.419   1.636
   73   HD11  LEU  11          HD11      LEU  11   0.667  -3.492  -0.517
   74   HD12  LEU  11          HD12      LEU  11   1.994  -2.330  -0.543
   75   HD13  LEU  11          HD13      LEU  11   0.328  -1.763  -0.427
   76   HD21  LEU  11          HD21      LEU  11   1.007  -0.503   1.709
   77   HD22  LEU  11          HD22      LEU  11   2.639  -1.136   1.501
   78   HD23  LEU  11          HD23      LEU  11   1.772  -1.412   3.011
   79    H    ALA  12           HN       ALA  12  -1.541  -5.170   3.383
   80    HA   ALA  12           HA       ALA  12  -4.185  -4.404   3.359
   81    HB1  ALA  12           HB1      ALA  12  -4.749  -6.636   3.860
   82    HB2  ALA  12           HB2      ALA  12  -3.096  -6.989   4.397
   83    HB3  ALA  12           HB3      ALA  12  -3.424  -6.595   2.693
   84    H    GLU  13           HN       GLU  13  -2.240  -5.482   6.185
   85    HA   GLU  13           HA       GLU  13  -4.392  -5.349   7.962
   86    HB2  GLU  13           HB2      GLU  13  -2.733  -5.216   9.798
   87    HB3  GLU  13           HB1      GLU  13  -2.391  -6.507   8.655
   88    HG2  GLU  13           HG2      GLU  13  -0.629  -5.287   7.680
   89    HG3  GLU  13           HG1      GLU  13  -1.089  -3.817   8.533
   90    H    ILE  14           HN       ILE  14  -2.213  -2.882   6.952
   91    HA   ILE  14           HA       ILE  14  -3.128  -0.854   8.727
   92    HB   ILE  14           HB       ILE  14  -2.026  -0.547   5.908
   93   HG12  ILE  14          HG12      ILE  14  -0.510  -0.418   8.507
   94   HG13  ILE  14          HG11      ILE  14  -0.663  -1.903   7.573
   95   HG21  ILE  14          HG21      ILE  14  -3.083   1.476   6.820
   96   HG22  ILE  14          HG22      ILE  14  -1.328   1.664   6.739
   97   HG23  ILE  14          HG23      ILE  14  -2.110   1.322   8.284
   98   HD11  ILE  14          HD11      ILE  14   0.547   0.666   6.596
   99   HD12  ILE  14          HD12      ILE  14   0.381  -0.861   5.704
  100   HD13  ILE  14          HD13      ILE  14   1.418  -0.786   7.130
  101    H    VAL  15           HN       VAL  15  -3.955  -1.584   5.363
  102    HA   VAL  15           HA       VAL  15  -6.075   0.108   4.844
  103    HB   VAL  15           HB       VAL  15  -5.597  -2.733   3.924
  104   HG11  VAL  15          HG11      VAL  15  -7.102  -2.212   2.064
  105   HG12  VAL  15          HG12      VAL  15  -7.459  -0.648   2.784
  106   HG13  VAL  15          HG13      VAL  15  -7.953  -2.127   3.602
  107   HG21  VAL  15          HG21      VAL  15  -3.841  -1.230   3.343
  108   HG22  VAL  15          HG22      VAL  15  -5.002  -0.056   2.709
  109   HG23  VAL  15          HG23      VAL  15  -4.814  -1.641   1.932
  110    H    ASN  16           HN       ASN  16  -6.133  -3.080   6.353
  111    HA   ASN  16           HA       ASN  16  -8.850  -3.588   6.723
  112    HB2  ASN  16           HB2      ASN  16  -6.504  -4.102   8.487
  113    HB3  ASN  16           HB1      ASN  16  -8.103  -4.528   9.080
  114   HD21  ASN  16          HD21      ASN  16  -6.786  -4.988   5.825
  115   HD22  ASN  16          HD22      ASN  16  -6.773  -6.704   5.936
  116    H    GLU  17           HN       GLU  17  -6.645  -1.725   8.700
  117    HA   GLU  17           HA       GLU  17  -8.507  -1.203  10.746
  118    HB2  GLU  17           HB2      GLU  17  -5.824   0.032  10.190
  119    HB3  GLU  17           HB1      GLU  17  -6.747   0.218  11.677
  120    HG2  GLU  17           HG2      GLU  17  -6.620  -2.191  12.059
  121    HG3  GLU  17           HG1      GLU  17  -5.695  -2.376  10.572
  122    H    ILE  18           HN       ILE  18  -7.232   0.823   8.094
  123    HA   ILE  18           HA       ILE  18  -8.872   3.048   9.133
  124    HB   ILE  18           HB       ILE  18  -7.440   3.223   6.522
  125   HG12  ILE  18          HG12      ILE  18  -6.008   3.705   9.131
  126   HG13  ILE  18          HG11      ILE  18  -5.861   2.172   8.254
  127   HG21  ILE  18          HG21      ILE  18  -8.812   5.076   7.298
  128   HG22  ILE  18          HG22      ILE  18  -7.107   5.533   7.298
  129   HG23  ILE  18          HG23      ILE  18  -7.910   5.133   8.817
  130   HD11  ILE  18          HD11      ILE  18  -4.030   3.714   7.746
  131   HD12  ILE  18          HD12      ILE  18  -5.227   4.895   7.175
  132   HD13  ILE  18          HD13      ILE  18  -5.029   3.385   6.326
  133    H    ALA  19           HN       ALA  19  -8.441   1.409   5.948
  134    HA   ALA  19           HA       ALA  19 -10.842   2.614   4.931
  135    HB1  ALA  19           HB1      ALA  19 -10.351   1.369   2.902
  136    HB2  ALA  19           HB2      ALA  19  -9.102   0.462   3.752
  137    HB3  ALA  19           HB3      ALA  19  -8.913   2.197   3.498
  138    H    GLY  20           HN       GLY  20  -9.824  -0.672   5.678
  139    HA2  GLY  20           HA2      GLY  20 -11.462  -1.954   6.962
  140    HA3  GLY  20           HA1      GLY  20 -12.669  -1.346   5.844
  141    H    ILE  21           HN       ILE  21  -9.884  -2.075   3.896
  142    HA   ILE  21           HA       ILE  21 -11.310  -4.375   3.034
  143    HB   ILE  21           HB       ILE  21  -8.603  -3.352   2.190
  144   HG12  ILE  21          HG12      ILE  21 -10.319  -1.733   1.796
  145   HG13  ILE  21          HG11      ILE  21  -9.867  -2.479   0.265
  146   HG21  ILE  21          HG21      ILE  21  -8.937  -4.724   0.223
  147   HG22  ILE  21          HG22      ILE  21 -10.462  -5.350   0.878
  148   HG23  ILE  21          HG23      ILE  21  -8.934  -5.722   1.673
  149   HD11  ILE  21          HD11      ILE  21 -11.823  -3.977   0.502
  150   HD12  ILE  21          HD12      ILE  21 -12.167  -2.269   0.299
  151   HD13  ILE  21          HD13      ILE  21 -12.300  -3.013   1.916
  152    HA   PRO  22           HA       PRO  22  -9.258  -7.076   5.963
  153    HB2  PRO  22           HB2      PRO  22 -10.296  -9.230   4.227
  154    HB3  PRO  22           HB1      PRO  22 -10.595  -8.928   5.941
  155    HG2  PRO  22           HG2      PRO  22 -12.472  -8.495   4.116
  156    HG3  PRO  22           HG1      PRO  22 -12.287  -7.416   5.515
  157    HD2  PRO  22           HD2      PRO  22 -11.381  -7.025   2.683
  158    HD3  PRO  22           HD1      PRO  22 -12.148  -5.864   3.791
  159    H    VAL  23           HN       VAL  23  -7.688  -8.829   5.941
  160    HA   VAL  23           HA       VAL  23  -5.635  -8.164   4.101
  161    HB   VAL  23           HB       VAL  23  -4.236  -9.892   5.226
  162   HG11  VAL  23          HG11      VAL  23  -5.719  -8.081   7.119
  163   HG12  VAL  23          HG12      VAL  23  -4.316  -7.649   6.147
  164   HG13  VAL  23          HG13      VAL  23  -4.163  -8.846   7.435
  165   HG21  VAL  23          HG21      VAL  23  -6.736 -10.434   6.823
  166   HG22  VAL  23          HG22      VAL  23  -5.134 -11.077   7.193
  167   HG23  VAL  23          HG23      VAL  23  -5.952 -11.544   5.699
  168    H    GLU  24           HN       GLU  24  -8.130 -10.464   4.040
  169    HA   GLU  24           HA       GLU  24  -6.750 -12.236   2.245
  170    HB2  GLU  24           HB2      GLU  24  -8.100 -13.039   4.175
  171    HB3  GLU  24           HB1      GLU  24  -9.518 -12.310   3.449
  172    HG2  GLU  24           HG2      GLU  24  -9.526 -14.630   3.067
  173    HG3  GLU  24           HG1      GLU  24  -9.268 -13.757   1.549
  174    H    ASP  25           HN       ASP  25  -8.326  -9.316   2.002
  175    HA   ASP  25           HA       ASP  25  -9.507 -10.088  -0.564
  176    HB2  ASP  25           HB2      ASP  25 -10.998  -8.952   1.219
  177    HB3  ASP  25           HB1      ASP  25 -10.120  -7.479   0.814
  178    H    VAL  26           HN       VAL  26  -7.359  -7.749   1.037
  179    HA   VAL  26           HA       VAL  26  -6.480  -6.417  -1.248
  180    HB   VAL  26           HB       VAL  26  -5.027  -7.077   1.349
  181   HG11  VAL  26          HG11      VAL  26  -3.393  -6.584  -0.388
  182   HG12  VAL  26          HG12      VAL  26  -3.467  -5.270   0.781
  183   HG13  VAL  26          HG13      VAL  26  -4.243  -5.094  -0.794
  184   HG21  VAL  26          HG21      VAL  26  -6.431  -4.581   0.430
  185   HG22  VAL  26          HG22      VAL  26  -5.523  -4.740   1.935
  186   HG23  VAL  26          HG23      VAL  26  -6.989  -5.689   1.678
  187    H    LYS  27           HN       LYS  27  -6.207  -7.846  -2.850
  188    HA   LYS  27           HA       LYS  27  -3.896  -9.653  -2.660
  189    HB2  LYS  27           HB2      LYS  27  -6.215  -9.609  -4.589
  190    HB3  LYS  27           HB1      LYS  27  -4.851 -10.724  -4.719
  191    HG2  LYS  27           HG2      LYS  27  -6.870 -10.567  -2.488
  192    HG3  LYS  27           HG1      LYS  27  -6.791 -11.803  -3.744
  193    HD2  LYS  27           HD2      LYS  27  -4.654 -12.574  -2.908
  194    HD3  LYS  27           HD1      LYS  27  -4.612 -11.263  -1.724
  195    HE2  LYS  27           HE2      LYS  27  -6.597 -12.128  -0.670
  196    HE3  LYS  27           HE1      LYS  27  -6.681 -13.439  -1.848
  197    HZ1  LYS  27           HZ1      LYS  27  -4.567 -14.255  -1.002
  198    HZ2  LYS  27           HZ2      LYS  27  -5.746 -14.146   0.219
  199    HZ3  LYS  27           HZ3      LYS  27  -4.522 -12.990   0.141
  200    H    LEU  28           HN       LEU  28  -2.490  -9.560  -4.596
  201    HA   LEU  28           HA       LEU  28  -1.794  -6.862  -4.909
  202    HB2  LEU  28           HB2      LEU  28   0.136  -7.515  -5.865
  203    HB3  LEU  28           HB1      LEU  28  -0.405  -8.979  -5.058
  204    HG   LEU  28           HG       LEU  28  -1.016  -8.601  -7.948
  205   HD11  LEU  28          HD11      LEU  28   1.278  -8.043  -7.610
  206   HD12  LEU  28          HD12      LEU  28   1.142  -9.593  -8.464
  207   HD13  LEU  28          HD13      LEU  28   1.567  -9.544  -6.736
  208   HD21  LEU  28          HD21      LEU  28  -1.999 -10.492  -6.706
  209   HD22  LEU  28          HD22      LEU  28  -0.381 -11.001  -6.221
  210   HD23  LEU  28          HD23      LEU  28  -0.845 -11.039  -7.921
  211    H    ASP  29           HN       ASP  29  -4.072  -8.510  -6.671
  212    HA   ASP  29           HA       ASP  29  -3.661  -7.084  -9.195
  213    HB2  ASP  29           HB2      ASP  29  -5.545  -9.199  -8.279
  214    HB3  ASP  29           HB1      ASP  29  -5.593  -8.527  -9.919
  215    H    LYS  30           HN       LYS  30  -4.801  -6.299  -6.364
  216    HA   LYS  30           HA       LYS  30  -7.369  -5.312  -7.237
  217    HB2  LYS  30           HB2      LYS  30  -6.198  -6.096  -4.615
  218    HB3  LYS  30           HB1      LYS  30  -7.438  -4.865  -4.663
  219    HG2  LYS  30           HG2      LYS  30  -8.224  -7.174  -4.143
  220    HG3  LYS  30           HG1      LYS  30  -9.048  -6.385  -5.478
  221    HD2  LYS  30           HD2      LYS  30  -7.929  -7.723  -7.062
  222    HD3  LYS  30           HD1      LYS  30  -6.788  -8.319  -5.858
  223    HE2  LYS  30           HE2      LYS  30  -8.567  -9.968  -6.426
  224    HE3  LYS  30           HE1      LYS  30  -8.543  -9.525  -4.726
  225    HZ1  LYS  30           HZ1      LYS  30 -10.433  -8.020  -5.146
  226    HZ2  LYS  30           HZ2      LYS  30 -10.778  -9.599  -5.517
  227    HZ3  LYS  30           HZ3      LYS  30 -10.474  -8.501  -6.767
  228    H    SER  31           HN       SER  31  -7.267  -3.414  -7.852
  229    HA   SER  31           HA       SER  31  -5.399  -1.428  -6.993
  230    HB2  SER  31           HB2      SER  31  -8.149  -0.928  -8.164
  231    HB3  SER  31           HB1      SER  31  -6.716   0.094  -8.291
  232    HG   SER  31           HG       SER  31  -7.512  -2.002  -9.823
  233    H    PHE  32           HN       PHE  32  -5.476  -1.075  -4.806
  234    HA   PHE  32           HA       PHE  32  -7.318  -1.299  -2.886
  235    HB2  PHE  32           HB2      PHE  32  -5.390   0.928  -3.324
  236    HB3  PHE  32           HB1      PHE  32  -6.397   0.864  -1.879
  237    HD1  PHE  32           HD1      PHE  32  -6.223  -1.118  -0.434
  238    HD2  PHE  32           HD2      PHE  32  -3.374  -0.302  -3.486
  239    HE1  PHE  32           HE1      PHE  32  -4.647  -2.559   0.691
  240    HE2  PHE  32           HE2      PHE  32  -1.777  -1.703  -2.401
  241    HZ   PHE  32           HZ       PHE  32  -2.359  -2.876  -0.270
  242    H    THR  33           HN       THR  33  -6.992   1.781  -4.655
  243    HA   THR  33           HA       THR  33  -9.526   2.668  -3.748
  244    HB   THR  33           HB       THR  33  -7.428   3.954  -5.486
  245    HG1  THR  33           HG1      THR  33  -6.229   3.775  -3.727
  246   HG21  THR  33          HG21      THR  33  -9.445   5.022  -3.551
  247   HG22  THR  33          HG22      THR  33  -9.567   5.091  -5.327
  248   HG23  THR  33          HG23      THR  33  -8.276   5.983  -4.478
  249    H    ASP  34           HN       ASP  34 -10.322   0.691  -5.128
  250    HA   ASP  34           HA       ASP  34 -11.866   1.468  -7.270
  251    HB2  ASP  34           HB2      ASP  34  -9.813   1.694  -8.624
  252    HB3  ASP  34           HB1      ASP  34  -9.361   0.038  -8.249
  253    H    ASP  35           HN       ASP  35  -9.818  -1.344  -6.716
  254    HA   ASP  35           HA       ASP  35 -11.845  -3.284  -7.418
  255    HB2  ASP  35           HB2      ASP  35  -9.146  -3.202  -7.460
  256    HB3  ASP  35           HB1      ASP  35  -9.347  -4.101  -6.033
  257    H    LEU  36           HN       LEU  36 -10.170  -2.196  -4.595
  258    HA   LEU  36           HA       LEU  36 -11.419  -4.172  -2.912
  259    HB2  LEU  36           HB2      LEU  36  -9.508  -1.940  -2.280
  260    HB3  LEU  36           HB1      LEU  36 -10.099  -3.107  -1.116
  261    HG   LEU  36           HG       LEU  36  -8.372  -3.703  -3.511
  262   HD11  LEU  36          HD11      LEU  36  -7.809  -3.735  -0.587
  263   HD12  LEU  36          HD12      LEU  36  -7.185  -2.580  -1.767
  264   HD13  LEU  36          HD13      LEU  36  -6.716  -4.280  -1.857
  265   HD21  LEU  36          HD21      LEU  36  -9.900  -5.506  -3.099
  266   HD22  LEU  36          HD22      LEU  36  -9.501  -5.515  -1.390
  267   HD23  LEU  36          HD23      LEU  36  -8.279  -5.956  -2.587
  268    H    ASP  37           HN       ASP  37 -10.893  -1.017  -1.959
  269    HA   ASP  37           HA       ASP  37 -13.050   0.523  -1.962
  270    HB2  ASP  37           HB2      ASP  37 -14.570  -1.424  -1.120
  271    HB3  ASP  37           HB1      ASP  37 -13.737  -1.290   0.405
  272    H    VAL  38           HN       VAL  38 -10.910   1.240  -1.685
  273    HA   VAL  38           HA       VAL  38 -10.483   2.100   1.066
  274    HB   VAL  38           HB       VAL  38  -8.577   1.420  -1.173
  275   HG11  VAL  38          HG11      VAL  38  -7.894   2.900   1.389
  276   HG12  VAL  38          HG12      VAL  38  -7.858   3.605  -0.226
  277   HG13  VAL  38          HG13      VAL  38  -6.722   2.327   0.202
  278   HG21  VAL  38          HG21      VAL  38  -9.149  -0.389   0.231
  279   HG22  VAL  38          HG22      VAL  38  -8.695   0.529   1.667
  280   HG23  VAL  38          HG23      VAL  38  -7.467   0.061   0.493
  281    H    ASP  39           HN       ASP  39 -10.727   4.382   1.246
  282    HA   ASP  39           HA       ASP  39 -11.845   5.545  -1.139
  283    HB2  ASP  39           HB2      ASP  39 -11.691   6.632   1.664
  284    HB3  ASP  39           HB1      ASP  39 -12.742   7.159   0.359
  285    H    SER  40           HN       SER  40  -8.948   5.155  -0.179
  286    HA   SER  40           HA       SER  40  -6.962   6.005  -0.490
  287    HB2  SER  40           HB2      SER  40  -6.539   7.786  -2.074
  288    HB3  SER  40           HB1      SER  40  -7.836   6.758  -2.698
  289    H    LEU  41           HN       LEU  41  -9.065   7.450   1.551
  290    HA   LEU  41           HA       LEU  41  -7.324   9.663   2.269
  291    HB2  LEU  41           HB2      LEU  41  -9.785   8.667   3.728
  292    HB3  LEU  41           HB1      LEU  41  -8.904  10.135   4.096
  293    HG   LEU  41           HG       LEU  41  -9.532  10.511   1.488
  294   HD11  LEU  41          HD11      LEU  41 -10.750   8.610   1.224
  295   HD12  LEU  41          HD12      LEU  41 -11.834   9.998   1.148
  296   HD13  LEU  41          HD13      LEU  41 -11.800   8.974   2.601
  297   HD21  LEU  41          HD21      LEU  41 -11.217  11.280   3.868
  298   HD22  LEU  41          HD22      LEU  41 -11.280  12.043   2.278
  299   HD23  LEU  41          HD23      LEU  41  -9.819  12.166   3.257
  300    H    SER  42           HN       SER  42  -7.886   6.405   2.989
  301    HA   SER  42           HA       SER  42  -6.592   6.292   5.460
  302    HB2  SER  42           HB2      SER  42  -6.731   3.823   4.609
  303    HB3  SER  42           HB1      SER  42  -8.207   4.683   5.074
  304    HG   SER  42           HG       SER  42  -8.872   4.402   3.156
  305    H    MET  43           HN       MET  43  -5.820   6.486   2.097
  306    HA   MET  43           HA       MET  43  -3.671   4.700   2.030
  307    HB2  MET  43           HB2      MET  43  -4.946   5.484   0.035
  308    HB3  MET  43           HB1      MET  43  -4.115   7.031   0.178
  309    HG2  MET  43           HG2      MET  43  -3.084   5.560  -1.478
  310    HG3  MET  43           HG1      MET  43  -1.986   5.957  -0.149
  311    HE1  MET  43           HE1      MET  43  -5.009   3.433  -0.047
  312    HE2  MET  43           HE2      MET  43  -4.207   1.925  -0.496
  313    HE3  MET  43           HE3      MET  43  -4.359   3.231  -1.673
  314    H    VAL  44           HN       VAL  44  -3.876   8.128   2.672
  315    HA   VAL  44           HA       VAL  44  -1.161   8.679   2.701
  316    HB   VAL  44           HB       VAL  44  -3.336   9.891   4.441
  317   HG11  VAL  44          HG11      VAL  44  -0.575  10.953   3.817
  318   HG12  VAL  44          HG12      VAL  44  -1.117  10.339   5.379
  319   HG13  VAL  44          HG13      VAL  44  -1.833  11.807   4.712
  320   HG21  VAL  44          HG21      VAL  44  -3.359  11.675   2.749
  321   HG22  VAL  44          HG22      VAL  44  -3.718  10.105   2.024
  322   HG23  VAL  44          HG23      VAL  44  -2.140  10.805   1.825
  323    H    GLU  45           HN       GLU  45  -3.267   7.441   5.261
  324    HA   GLU  45           HA       GLU  45  -1.188   7.329   7.196
  325    HB2  GLU  45           HB2      GLU  45  -3.915   6.048   7.141
  326    HB3  GLU  45           HB1      GLU  45  -2.853   6.137   8.538
  327    HG2  GLU  45           HG2      GLU  45  -4.055   8.481   7.096
  328    HG3  GLU  45           HG1      GLU  45  -4.631   7.798   8.617
  329    H    VAL  46           HN       VAL  46  -2.470   5.200   4.731
  330    HA   VAL  46           HA       VAL  46  -1.291   2.825   5.772
  331    HB   VAL  46           HB       VAL  46  -2.091   3.382   2.858
  332   HG11  VAL  46          HG11      VAL  46  -0.555   1.466   3.035
  333   HG12  VAL  46          HG12      VAL  46  -2.211   0.954   2.625
  334   HG13  VAL  46          HG13      VAL  46  -1.624   0.768   4.265
  335   HG21  VAL  46          HG21      VAL  46  -3.633   2.004   5.055
  336   HG22  VAL  46          HG22      VAL  46  -4.112   2.054   3.365
  337   HG23  VAL  46          HG23      VAL  46  -4.034   3.551   4.303
  338    H    VAL  47           HN       VAL  47  -0.332   5.386   3.653
  339    HA   VAL  47           HA       VAL  47   2.193   4.447   2.745
  340    HB   VAL  47           HB       VAL  47   0.812   7.139   2.982
  341   HG11  VAL  47          HG11      VAL  47   3.618   6.712   1.960
  342   HG12  VAL  47          HG12      VAL  47   3.178   7.585   3.429
  343   HG13  VAL  47          HG13      VAL  47   2.693   8.210   1.850
  344   HG21  VAL  47          HG21      VAL  47   1.808   5.547   0.631
  345   HG22  VAL  47          HG22      VAL  47   0.993   7.108   0.544
  346   HG23  VAL  47          HG23      VAL  47   0.134   5.697   1.165
  347    H    VAL  48           HN       VAL  48   1.484   6.825   5.258
  348    HA   VAL  48           HA       VAL  48   4.125   6.920   6.091
  349    HB   VAL  48           HB       VAL  48   1.624   7.605   7.668
  350   HG11  VAL  48          HG11      VAL  48   3.512   7.217   9.216
  351   HG12  VAL  48          HG12      VAL  48   3.084   8.927   9.134
  352   HG13  VAL  48          HG13      VAL  48   4.502   8.332   8.274
  353   HG21  VAL  48          HG21      VAL  48   1.934   8.859   5.640
  354   HG22  VAL  48          HG22      VAL  48   3.598   9.199   6.085
  355   HG23  VAL  48          HG23      VAL  48   2.275   9.906   7.032
  356    H    ALA  49           HN       ALA  49   1.698   4.646   6.894
  357    HA   ALA  49           HA       ALA  49   3.174   3.489   9.104
  358    HB1  ALA  49           HB1      ALA  49   0.717   3.321   9.000
  359    HB2  ALA  49           HB2      ALA  49   1.458   1.718   9.028
  360    HB3  ALA  49           HB3      ALA  49   0.846   2.384   7.517
  361    H    ALA  50           HN       ALA  50   2.561   2.623   5.707
  362    HA   ALA  50           HA       ALA  50   4.111   0.289   5.663
  363    HB1  ALA  50           HB1      ALA  50   4.082   0.506   3.243
  364    HB2  ALA  50           HB2      ALA  50   3.524   2.173   3.383
  365    HB3  ALA  50           HB3      ALA  50   2.486   0.848   3.913
  366    H    GLU  51           HN       GLU  51   4.931   3.663   5.080
  367    HA   GLU  51           HA       GLU  51   7.498   3.257   4.105
  368    HB2  GLU  51           HB2      GLU  51   6.564   5.523   5.808
  369    HB3  GLU  51           HB1      GLU  51   7.991   5.518   4.806
  370    HG2  GLU  51           HG2      GLU  51   6.647   5.412   2.799
  371    HG3  GLU  51           HG1      GLU  51   5.174   5.322   3.746
  372    H    GLU  52           HN       GLU  52   6.187   3.479   7.306
  373    HA   GLU  52           HA       GLU  52   8.775   3.615   8.559
  374    HB2  GLU  52           HB2      GLU  52   6.018   3.352   9.703
  375    HB3  GLU  52           HB1      GLU  52   7.428   3.358  10.733
  376    HG2  GLU  52           HG2      GLU  52   8.006   5.594   9.723
  377    HG3  GLU  52           HG1      GLU  52   6.430   5.550   8.937
  378    H    ARG  53           HN       ARG  53   6.429   1.120   7.945
  379    HA   ARG  53           HA       ARG  53   7.814  -0.766   9.617
  380    HB2  ARG  53           HB2      ARG  53   6.152  -2.356   8.939
  381    HB3  ARG  53           HB1      ARG  53   5.362  -0.831   9.336
  382    HG2  ARG  53           HG2      ARG  53   5.203  -0.351   6.935
  383    HG3  ARG  53           HG1      ARG  53   5.922  -1.921   6.593
  384    HD2  ARG  53           HD2      ARG  53   3.324  -1.420   8.030
  385    HD3  ARG  53           HD1      ARG  53   3.546  -1.966   6.364
  386    HE   ARG  53           HE       ARG  53   4.666  -3.974   7.425
  387   HH11  ARG  53          HH11      ARG  53   2.256  -2.153   9.278
  388   HH12  ARG  53          HH12      ARG  53   1.504  -3.549   9.915
  389   HH21  ARG  53          HH21      ARG  53   3.651  -5.839   8.280
  390   HH22  ARG  53          HH22      ARG  53   2.289  -5.703   9.328
  391    H    PHE  54           HN       PHE  54   7.618  -0.065   6.193
  392    HA   PHE  54           HA       PHE  54   9.249  -2.374   5.582
  393    HB2  PHE  54           HB2      PHE  54   7.958  -0.321   3.791
  394    HB3  PHE  54           HB1      PHE  54   8.964  -1.635   3.210
  395    HD1  PHE  54           HD1      PHE  54   8.198  -4.011   4.347
  396    HD2  PHE  54           HD2      PHE  54   5.713  -0.653   3.564
  397    HE1  PHE  54           HE1      PHE  54   6.237  -5.486   4.275
  398    HE2  PHE  54           HE2      PHE  54   3.745  -2.127   3.490
  399    HZ   PHE  54           HZ       PHE  54   4.007  -4.547   3.894
  400    H    ASP  55           HN       ASP  55   9.643   0.930   6.254
  401    HA   ASP  55           HA       ASP  55  11.347   2.375   6.275
  402    HB2  ASP  55           HB2      ASP  55  12.559   0.595   7.476
  403    HB3  ASP  55           HB1      ASP  55  13.059  -0.114   5.949
  404    H    VAL  56           HN       VAL  56  10.229   1.121   3.761
  405    HA   VAL  56           HA       VAL  56  12.150   1.639   1.694
  406    HB   VAL  56           HB       VAL  56   9.224   0.893   1.749
  407   HG11  VAL  56          HG11      VAL  56   9.726   2.362  -0.254
  408   HG12  VAL  56          HG12      VAL  56   9.234   0.715  -0.630
  409   HG13  VAL  56          HG13      VAL  56  10.944   1.155  -0.706
  410   HG21  VAL  56          HG21      VAL  56  11.680  -0.424   0.827
  411   HG22  VAL  56          HG22      VAL  56  10.048  -1.114   0.743
  412   HG23  VAL  56          HG23      VAL  56  10.800  -0.786   2.322
  413    H    LYS  57           HN       LYS  57   9.194   3.011   2.791
  414    HA   LYS  57           HA       LYS  57   8.254   5.004   2.729
  415    HB2  LYS  57           HB2      LYS  57  10.071   6.104   3.713
  416    HB3  LYS  57           HB1      LYS  57  11.068   5.947   2.277
  417    HG2  LYS  57           HG2      LYS  57   9.939   7.701   1.175
  418    HG3  LYS  57           HG1      LYS  57   8.605   7.668   2.328
  419    HD2  LYS  57           HD2      LYS  57  11.418   8.333   3.149
  420    HD3  LYS  57           HD1      LYS  57  10.303   9.561   2.545
  421    HE2  LYS  57           HE2      LYS  57   9.683   7.733   4.861
  422    HE3  LYS  57           HE1      LYS  57  10.379   9.347   5.056
  423    HZ1  LYS  57           HZ1      LYS  57   7.716   8.705   3.838
  424    HZ2  LYS  57           HZ2      LYS  57   8.385  10.232   3.912
  425    HZ3  LYS  57           HZ3      LYS  57   7.985   9.444   5.334
  426    H    ILE  58           HN       ILE  58   6.753   5.062   1.367
  427    HA   ILE  58           HA       ILE  58   7.310   5.943  -1.369
  428    HB   ILE  58           HB       ILE  58   4.822   4.327  -0.724
  429   HG12  ILE  58          HG12      ILE  58   6.049   2.312  -1.790
  430   HG13  ILE  58          HG11      ILE  58   7.533   3.155  -1.350
  431   HG21  ILE  58          HG21      ILE  58   4.782   5.560  -2.741
  432   HG22  ILE  58          HG22      ILE  58   4.814   3.853  -3.078
  433   HG23  ILE  58          HG23      ILE  58   6.283   4.810  -3.280
  434   HD11  ILE  58          HD11      ILE  58   5.399   2.268   0.569
  435   HD12  ILE  58          HD12      ILE  58   6.884   3.129   0.976
  436   HD13  ILE  58          HD13      ILE  58   6.968   1.492   0.308
  437    HA   PRO  59           HA       PRO  59   4.778   9.022   0.930
  438    HB2  PRO  59           HB2      PRO  59   5.175  10.906  -1.059
  439    HB3  PRO  59           HB1      PRO  59   6.213  10.731   0.362
  440    HG2  PRO  59           HG2      PRO  59   6.582   9.642  -2.404
  441    HG3  PRO  59           HG1      PRO  59   7.793  10.386  -1.329
  442    HD2  PRO  59           HD2      PRO  59   7.660   7.753  -1.648
  443    HD3  PRO  59           HD1      PRO  59   7.957   8.452  -0.039
  444    H    ASP  60           HN       ASP  60   2.654   9.732   0.413
  445    HA   ASP  60           HA       ASP  60   1.235   8.209  -1.393
  446    HB2  ASP  60           HB2      ASP  60  -0.704   9.692  -1.001
  447    HB3  ASP  60           HB1      ASP  60   0.106   9.321   0.496
  448    H    ASP  61           HN       ASP  61   2.908  11.180  -2.014
  449    HA   ASP  61           HA       ASP  61   1.795  11.804  -4.561
  450    HB2  ASP  61           HB2      ASP  61   3.218  13.364  -3.216
  451    HB3  ASP  61           HB1      ASP  61   4.610  12.352  -3.577
  452    H    ASP  62           HN       ASP  62   4.086   9.480  -3.552
  453    HA   ASP  62           HA       ASP  62   5.027   8.847  -6.278
  454    HB2  ASP  62           HB2      ASP  62   6.603   8.816  -4.182
  455    HB3  ASP  62           HB1      ASP  62   5.750   7.343  -3.744
  456    H    VAL  63           HN       VAL  63   3.258   7.630  -3.603
  457    HA   VAL  63           HA       VAL  63   2.675   5.056  -4.427
  458    HB   VAL  63           HB       VAL  63   2.162   6.530  -2.179
  459   HG11  VAL  63          HG11      VAL  63  -0.543   5.801  -3.287
  460   HG12  VAL  63          HG12      VAL  63   0.057   7.424  -2.948
  461   HG13  VAL  63          HG13      VAL  63  -0.214   6.293  -1.627
  462   HG21  VAL  63          HG21      VAL  63   1.306   4.445  -1.253
  463   HG22  VAL  63          HG22      VAL  63   2.750   4.223  -2.245
  464   HG23  VAL  63          HG23      VAL  63   1.163   3.802  -2.888
  465    H    LYS  64           HN       LYS  64   1.278   7.955  -5.499
  466    HA   LYS  64           HA       LYS  64  -1.106   7.058  -6.493
  467    HB2  LYS  64           HB2      LYS  64  -1.042   8.899  -8.141
  468    HB3  LYS  64           HB1      LYS  64  -0.478   9.400  -6.535
  469    HG2  LYS  64           HG2      LYS  64   1.805   9.305  -7.308
  470    HG3  LYS  64           HG1      LYS  64   1.254   8.781  -8.900
  471    HD2  LYS  64           HD2      LYS  64   1.750  11.160  -8.863
  472    HD3  LYS  64           HD1      LYS  64   0.029  10.864  -9.174
  473    HE2  LYS  64           HE2      LYS  64  -0.508  11.422  -6.868
  474    HE3  LYS  64           HE1      LYS  64   1.204  11.558  -6.473
  475    HZ1  LYS  64           HZ1      LYS  64   0.157  13.680  -6.738
  476    HZ2  LYS  64           HZ2      LYS  64  -0.284  13.336  -8.342
  477    HZ3  LYS  64           HZ3      LYS  64   1.334  13.471  -7.918
  478    H    ASN  65           HN       ASN  65   2.079   6.596  -7.629
  479    HA   ASN  65           HA       ASN  65   1.488   5.679 -10.288
  480    HB2  ASN  65           HB2      ASN  65   3.971   5.390  -8.580
  481    HB3  ASN  65           HB1      ASN  65   3.873   5.092 -10.310
  482   HD21  ASN  65          HD21      ASN  65   5.353   7.029  -8.518
  483   HD22  ASN  65          HD22      ASN  65   5.132   8.568  -9.263
  484    H    LEU  66           HN       LEU  66   1.053   4.420  -7.246
  485    HA   LEU  66           HA       LEU  66   1.478   1.625  -8.086
  486    HB2  LEU  66           HB2      LEU  66   1.397   2.698  -5.305
  487    HB3  LEU  66           HB1      LEU  66   1.800   1.082  -5.869
  488    HG   LEU  66           HG       LEU  66   3.415   3.572  -6.360
  489   HD11  LEU  66          HD11      LEU  66   3.374   3.004  -4.020
  490   HD12  LEU  66          HD12      LEU  66   4.970   2.662  -4.689
  491   HD13  LEU  66          HD13      LEU  66   3.832   1.344  -4.380
  492   HD21  LEU  66          HD21      LEU  66   4.093   0.678  -6.828
  493   HD22  LEU  66          HD22      LEU  66   5.195   2.040  -7.040
  494   HD23  LEU  66          HD23      LEU  66   3.767   1.891  -8.066
  495    H    LYS  67           HN       LYS  67  -0.860   3.215  -8.491
  496    HA   LYS  67           HA       LYS  67  -3.006   2.985  -6.908
  497    HB2  LYS  67           HB2      LYS  67  -4.348   2.357  -9.018
  498    HB3  LYS  67           HB1      LYS  67  -3.465   3.878  -8.955
  499    HG2  LYS  67           HG2      LYS  67  -1.692   2.972 -10.263
  500    HG3  LYS  67           HG1      LYS  67  -2.408   1.365 -10.231
  501    HD2  LYS  67           HD2      LYS  67  -4.268   2.166 -11.556
  502    HD3  LYS  67           HD1      LYS  67  -3.707   3.834 -11.401
  503    HE2  LYS  67           HE2      LYS  67  -1.655   3.226 -12.615
  504    HE3  LYS  67           HE1      LYS  67  -2.279   1.590 -12.814
  505    HZ1  LYS  67           HZ1      LYS  67  -3.739   3.971 -13.783
  506    HZ2  LYS  67           HZ2      LYS  67  -3.992   2.358 -14.203
  507    HZ3  LYS  67           HZ3      LYS  67  -2.593   3.168 -14.725
  508    H    THR  68           HN       THR  68  -1.497   0.018  -8.204
  509    HA   THR  68           HA       THR  68  -3.652  -1.397  -6.866
  510    HB   THR  68           HB       THR  68  -2.759  -3.461  -7.803
  511    HG1  THR  68           HG1      THR  68  -1.333  -1.809  -9.616
  512   HG21  THR  68          HG21      THR  68  -3.664  -3.134 -10.079
  513   HG22  THR  68          HG22      THR  68  -3.618  -1.384  -9.790
  514   HG23  THR  68          HG23      THR  68  -4.653  -2.417  -8.802
  515    H    VAL  69           HN       VAL  69  -3.079  -3.414  -5.720
  516    HA   VAL  69           HA       VAL  69  -1.237  -2.837  -3.636
  517    HB   VAL  69           HB       VAL  69  -2.204  -5.557  -4.455
  518   HG11  VAL  69          HG11      VAL  69  -0.400  -5.388  -2.957
  519   HG12  VAL  69          HG12      VAL  69  -1.842  -6.057  -2.101
  520   HG13  VAL  69          HG13      VAL  69  -1.323  -4.362  -1.869
  521   HG21  VAL  69          HG21      VAL  69  -3.579  -3.600  -2.615
  522   HG22  VAL  69          HG22      VAL  69  -4.055  -5.278  -2.870
  523   HG23  VAL  69          HG23      VAL  69  -4.162  -4.120  -4.195
  524    H    GLY  70           HN       GLY  70  -1.083  -4.942  -6.461
  525    HA2  GLY  70           HA2      GLY  70   1.447  -6.031  -5.916
  526    HA3  GLY  70           HA1      GLY  70   0.606  -6.041  -7.458
  527    H    ASP  71           HN       ASP  71   0.423  -3.073  -7.407
  528    HA   ASP  71           HA       ASP  71   2.875  -2.614  -8.792
  529    HB2  ASP  71           HB2      ASP  71   0.448  -1.380  -8.853
  530    HB3  ASP  71           HB1      ASP  71   1.342  -0.353  -7.761
  531    H    ALA  72           HN       ALA  72   1.441  -1.639  -5.744
  532    HA   ALA  72           HA       ALA  72   3.567  -0.099  -4.688
  533    HB1  ALA  72           HB1      ALA  72   1.334  -0.152  -3.720
  534    HB2  ALA  72           HB2      ALA  72   2.564  -0.580  -2.530
  535    HB3  ALA  72           HB3      ALA  72   1.569  -1.839  -3.263
  536    H    THR  73           HN       THR  73   2.714  -3.466  -4.384
  537    HA   THR  73           HA       THR  73   4.792  -4.309  -2.738
  538    HB   THR  73           HB       THR  73   3.250  -5.892  -4.812
  539    HG1  THR  73           HG1      THR  73   1.856  -4.897  -3.338
  540   HG21  THR  73          HG21      THR  73   5.209  -7.107  -3.950
  541   HG22  THR  73          HG22      THR  73   3.689  -7.804  -3.369
  542   HG23  THR  73          HG23      THR  73   4.658  -6.787  -2.301
  543    H    LYS  74           HN       LYS  74   4.782  -3.588  -6.106
  544    HA   LYS  74           HA       LYS  74   7.095  -5.073  -6.896
  545    HB2  LYS  74           HB2      LYS  74   5.203  -4.035  -8.321
  546    HB3  LYS  74           HB1      LYS  74   6.076  -2.527  -8.126
  547    HG2  LYS  74           HG2      LYS  74   6.804  -3.308 -10.162
  548    HG3  LYS  74           HG1      LYS  74   8.084  -3.835  -9.065
  549    HD2  LYS  74           HD2      LYS  74   7.513  -5.656 -10.541
  550    HD3  LYS  74           HD1      LYS  74   6.967  -6.037  -8.903
  551    HE2  LYS  74           HE2      LYS  74   5.253  -6.618 -10.570
  552    HE3  LYS  74           HE1      LYS  74   4.699  -5.361  -9.468
  553    HZ1  LYS  74           HZ1      LYS  74   5.802  -4.852 -12.178
  554    HZ2  LYS  74           HZ2      LYS  74   5.092  -3.697 -11.154
  555    HZ3  LYS  74           HZ3      LYS  74   4.153  -4.912 -11.825
  556    H    TYR  75           HN       TYR  75   6.388  -1.652  -6.315
  557    HA   TYR  75           HA       TYR  75   8.949  -0.600  -6.502
  558    HB2  TYR  75           HB2      TYR  75   6.847   0.624  -6.765
  559    HB3  TYR  75           HB1      TYR  75   6.478   0.366  -5.069
  560    HD1  TYR  75           HD1      TYR  75   8.715   2.142  -7.427
  561    HD2  TYR  75           HD2      TYR  75   7.419   1.742  -3.408
  562    HE1  TYR  75           HE1      TYR  75   9.835   4.223  -6.874
  563    HE2  TYR  75           HE2      TYR  75   8.537   3.827  -2.826
  564    HH   TYR  75           HH       TYR  75  10.500   5.107  -3.767
  565    H    ILE  76           HN       ILE  76   6.994  -1.572  -3.743
  566    HA   ILE  76           HA       ILE  76   8.777  -0.656  -1.781
  567    HB   ILE  76           HB       ILE  76   6.519  -2.672  -1.528
  568   HG12  ILE  76          HG12      ILE  76   6.618   0.299  -0.998
  569   HG13  ILE  76          HG11      ILE  76   5.806  -0.491  -2.339
  570   HG21  ILE  76          HG21      ILE  76   6.541  -2.188   0.857
  571   HG22  ILE  76          HG22      ILE  76   7.906  -1.102   0.650
  572   HG23  ILE  76          HG23      ILE  76   8.104  -2.832   0.355
  573   HD11  ILE  76          HD11      ILE  76   4.253   0.189  -0.635
  574   HD12  ILE  76          HD12      ILE  76   5.115  -0.786   0.567
  575   HD13  ILE  76          HD13      ILE  76   4.277  -1.574  -0.780
  576    H    LEU  77           HN       LEU  77   8.443  -3.777  -3.382
  577    HA   LEU  77           HA       LEU  77  10.068  -5.156  -1.535
  578    HB2  LEU  77           HB2      LEU  77   8.387  -6.156  -3.093
  579    HB3  LEU  77           HB1      LEU  77   9.502  -5.909  -4.417
  580    HG   LEU  77           HG       LEU  77  10.143  -7.648  -2.032
  581   HD11  LEU  77          HD11      LEU  77   9.468  -9.558  -3.432
  582   HD12  LEU  77          HD12      LEU  77   8.860  -8.431  -4.650
  583   HD13  LEU  77          HD13      LEU  77   8.122  -8.491  -3.048
  584   HD21  LEU  77          HD21      LEU  77  11.247  -7.602  -4.850
  585   HD22  LEU  77          HD22      LEU  77  11.737  -8.710  -3.569
  586   HD23  LEU  77          HD23      LEU  77  12.064  -6.982  -3.415
  587    H    ASP  78           HN       ASP  78  10.539  -3.455  -4.554
  588    HA   ASP  78           HA       ASP  78  13.241  -4.194  -5.036
  589    HB2  ASP  78           HB2      ASP  78  11.682  -3.402  -6.783
  590    HB3  ASP  78           HB1      ASP  78  11.691  -1.805  -6.046
  591    H    HIS  79           HN       HIS  79  11.700  -1.632  -3.291
  592    HA   HIS  79           HA       HIS  79  14.229  -0.247  -2.828
  593    HB2  HIS  79           HB2      HIS  79  11.386   0.590  -2.619
  594    HB3  HIS  79           HB1      HIS  79  12.596   1.439  -1.671
  595    HD1  HIS  79           HD1      HIS  79  13.385   3.447  -2.802
  596    HD2  HIS  79           HD2      HIS  79  12.284   0.518  -5.516
  597    HE1  HIS  79           HE1      HIS  79  13.752   4.463  -5.072
  598    HE2  HIS  79           HE2      HIS  79  12.709   2.812  -6.630
  599    H    GLN  80           HN       GLN  80  12.882  -2.705  -1.371
  600    HA   GLN  80           HA       GLN  80  12.406  -2.239   1.277
  601    HB2  GLN  80           HB2      GLN  80  13.688  -4.535  -0.130
  602    HB3  GLN  80           HB1      GLN  80  13.521  -4.569   1.627
  603    HG2  GLN  80           HG2      GLN  80  11.281  -4.139  -0.309
  604    HG3  GLN  80           HG1      GLN  80  11.752  -5.714   0.329
  605   HE21  GLN  80          HE21      GLN  80   9.363  -3.998   0.584
  606   HE22  GLN  80          HE22      GLN  80   9.029  -4.013   2.278
  607    H    ALA  81           HN       ALA  81  13.695  -2.630   3.197
  608    HA   ALA  81           HA       ALA  81  16.098  -1.132   3.284
  609    HB1  ALA  81           HB1      ALA  81  16.130  -1.741   5.656
  610    HB2  ALA  81           HB2      ALA  81  14.819  -2.893   5.377
  611    HB3  ALA  81           HB3      ALA  81  14.546  -1.164   5.148
  612    H28  SXH 101          H28B      SXH 101  -5.379   9.455  -2.718
  613   H28A  SXH 101          H28A      SXH 101  -5.956   9.432  -1.076
  614    H30  SXH 101          H30C      SXH 101  -4.178  11.660  -3.397
  615   H30A  SXH 101          H30A      SXH 101  -3.711  12.821  -2.147
  616   H30B  SXH 101          H30B      SXH 101  -5.405  12.649  -2.610
  617    H31  SXH 101          H31A      SXH 101  -4.419  12.407   0.236
  618   H31A  SXH 101          H31C      SXH 101  -6.087  12.234  -0.313
  619   H31B  SXH 101          H31B      SXH 101  -5.331  10.947   0.624
  620    H32  SXH 101          H32A      SXH 101  -2.505  10.953  -0.893
  621   HO33  SXH 101          H33A      SXH 101  -3.531   8.513  -0.576
  622   HN36  SXH 101          H36A      SXH 101  -2.255  10.942  -3.256
  623    H37  SXH 101          H37A      SXH 101  -1.114   9.796  -4.848
  624   H37A  SXH 101          H37B      SXH 101  -1.729   8.247  -4.252
  625    H38  SXH 101          H38A      SXH 101  -3.429  10.380  -5.635
  626   H38A  SXH 101          H38B      SXH 101  -2.517   9.181  -6.504
  627   HN41  SXH 101          H41A      SXH 101  -3.231   7.373  -4.042
  628    H42  SXH 101          H42A      SXH 101  -5.743   6.660  -3.791
  629   H42A  SXH 101          H42B      SXH 101  -5.355   6.051  -5.394
  630    H43  SXH 101          H43A      SXH 101  -4.932   4.262  -3.793
  631   H43A  SXH 101          H43B      SXH 101  -3.985   5.392  -2.820
  632    H2   SXH 101           H2A      SXH 101  -0.949   3.552  -2.729
  633    H2A  SXH 101           H2B      SXH 101  -0.663   2.761  -4.256
  634    H3   SXH 101           H3A      SXH 101  -1.362   0.676  -3.543
  635    H3A  SXH 101           H3B      SXH 101  -2.124   1.318  -2.086
  636    H4   SXH 101           H4B      SXH 101   0.029   0.103  -1.703
  637    H4A  SXH 101           H4A      SXH 101   0.843   1.391  -2.586
  638    H5   SXH 101           H5A      SXH 101  -0.742   1.687  -0.030
  639    H5A  SXH 101           H5B      SXH 101   0.020   3.013  -0.926
  640    H6   SXH 101           H6C      SXH 101   2.196   1.946  -0.616
  641    H6A  SXH 101           H6A      SXH 101   1.432   0.629   0.274
  642    H6B  SXH 101           H6B      SXH 101   1.419   2.264   0.936
  Start of MODEL    5
    1    H1   ALA   1           HT1      ALA   1  14.819  -5.194   4.425
    2    H2   ALA   1           HT2      ALA   1  13.937  -6.219   5.455
    3    H3   ALA   1           HT3      ALA   1  13.158  -4.966   4.645
    4    HA   ALA   1           HA       ALA   1  13.585  -6.030   2.546
    5    HB1  ALA   1           HB1      ALA   1  15.645  -7.191   3.186
    6    HB2  ALA   1           HB2      ALA   1  14.455  -8.309   2.519
    7    HB3  ALA   1           HB3      ALA   1  14.716  -8.239   4.263
    8    H    ALA   2           HN       ALA   2  12.085  -7.683   1.754
    9    HA   ALA   2           HA       ALA   2  10.200  -8.778   3.630
   10    HB1  ALA   2           HB1      ALA   2   9.341  -6.570   1.744
   11    HB2  ALA   2           HB2      ALA   2   9.391  -6.466   3.506
   12    HB3  ALA   2           HB3      ALA   2   8.255  -7.560   2.718
   13    H    THR   3           HN       THR   3   8.110  -9.288   1.847
   14    HA   THR   3           HA       THR   3   9.300 -10.438  -0.523
   15    HB   THR   3           HB       THR   3   7.969 -12.509  -0.145
   16    HG1  THR   3           HG1      THR   3   7.154 -12.839   2.012
   17   HG21  THR   3          HG21      THR   3   9.337 -13.528   1.638
   18   HG22  THR   3          HG22      THR   3   9.846 -11.921   2.161
   19   HG23  THR   3          HG23      THR   3  10.328 -12.524   0.577
   20    H    GLN   4           HN       GLN   4   6.966 -11.487  -1.561
   21    HA   GLN   4           HA       GLN   4   5.392  -9.187  -2.020
   22    HB2  GLN   4           HB2      GLN   4   5.655 -10.950  -3.738
   23    HB3  GLN   4           HB1      GLN   4   4.897 -12.116  -2.680
   24    HG2  GLN   4           HG2      GLN   4   3.335  -9.715  -3.580
   25    HG3  GLN   4           HG1      GLN   4   3.590 -11.058  -4.686
   26   HE21  GLN   4          HE21      GLN   4   2.061 -10.021  -1.800
   27   HE22  GLN   4          HE22      GLN   4   1.021 -11.360  -1.549
   28    H    GLU   5           HN       GLU   5   5.027 -12.108  -0.106
   29    HA   GLU   5           HA       GLU   5   2.491 -11.701   0.995
   30    HB2  GLU   5           HB2      GLU   5   4.941 -12.973   2.196
   31    HB3  GLU   5           HB1      GLU   5   3.359 -13.019   2.948
   32    HG2  GLU   5           HG2      GLU   5   4.097 -14.172   0.281
   33    HG3  GLU   5           HG1      GLU   5   3.834 -15.067   1.779
   34    H    GLU   6           HN       GLU   6   5.586 -10.724   2.156
   35    HA   GLU   6           HA       GLU   6   4.784  -9.622   4.628
   36    HB2  GLU   6           HB2      GLU   6   7.213  -9.052   2.978
   37    HB3  GLU   6           HB1      GLU   6   6.967  -8.444   4.604
   38    HG2  GLU   6           HG2      GLU   6   6.842 -11.325   3.917
   39    HG3  GLU   6           HG1      GLU   6   8.355 -10.533   4.421
   40    H    ILE   7           HN       ILE   7   5.572  -7.887   1.571
   41    HA   ILE   7           HA       ILE   7   4.864  -5.371   2.500
   42    HB   ILE   7           HB       ILE   7   4.639  -6.510  -0.290
   43   HG12  ILE   7          HG12      ILE   7   6.861  -4.964   1.031
   44   HG13  ILE   7          HG11      ILE   7   6.852  -6.711   0.810
   45   HG21  ILE   7          HG21      ILE   7   3.380  -4.412  -0.014
   46   HG22  ILE   7          HG22      ILE   7   4.815  -4.162  -1.010
   47   HG23  ILE   7          HG23      ILE   7   4.810  -3.643   0.675
   48   HD11  ILE   7          HD11      ILE   7   8.168  -5.608  -0.876
   49   HD12  ILE   7          HD12      ILE   7   6.767  -4.653  -1.359
   50   HD13  ILE   7          HD13      ILE   7   6.764  -6.404  -1.583
   51    H    VAL   8           HN       VAL   8   2.969  -7.727   0.677
   52    HA   VAL   8           HA       VAL   8   0.641  -6.194   0.507
   53    HB   VAL   8           HB       VAL   8   0.990  -9.200   0.344
   54   HG11  VAL   8          HG11      VAL   8  -1.332  -8.711   1.031
   55   HG12  VAL   8          HG12      VAL   8  -1.264  -9.289  -0.635
   56   HG13  VAL   8          HG13      VAL   8  -1.479  -7.570  -0.305
   57   HG21  VAL   8          HG21      VAL   8   0.557  -7.043  -1.710
   58   HG22  VAL   8          HG22      VAL   8   0.651  -8.770  -2.046
   59   HG23  VAL   8          HG23      VAL   8   2.053  -7.920  -1.400
   60    H    ALA   9           HN       ALA   9   1.498  -8.632   2.982
   61    HA   ALA   9           HA       ALA   9  -0.992  -8.456   4.328
   62    HB1  ALA   9           HB1      ALA   9   1.689  -9.297   5.430
   63    HB2  ALA   9           HB2      ALA   9   0.540 -10.354   4.611
   64    HB3  ALA   9           HB3      ALA   9   0.118  -9.625   6.162
   65    H    GLY  10           HN       GLY  10   1.923  -6.579   4.486
   66    HA2  GLY  10           HA2      GLY  10   1.367  -5.307   6.959
   67    HA3  GLY  10           HA1      GLY  10   2.580  -4.831   5.774
   68    H    LEU  11           HN       LEU  11   1.023  -4.486   3.566
   69    HA   LEU  11           HA       LEU  11  -0.104  -1.895   3.988
   70    HB2  LEU  11           HB2      LEU  11  -0.693  -3.782   1.702
   71    HB3  LEU  11           HB1      LEU  11  -0.886  -2.043   1.713
   72    HG   LEU  11           HG       LEU  11   1.707  -3.570   1.708
   73   HD11  LEU  11          HD11      LEU  11   0.582  -3.585  -0.426
   74   HD12  LEU  11          HD12      LEU  11   2.018  -2.564  -0.488
   75   HD13  LEU  11          HD13      LEU  11   0.419  -1.829  -0.373
   76   HD21  LEU  11          HD21      LEU  11   2.795  -1.386   1.517
   77   HD22  LEU  11          HD22      LEU  11   1.930  -1.550   3.047
   78   HD23  LEU  11          HD23      LEU  11   1.236  -0.593   1.739
   79    H    ALA  12           HN       ALA  12  -1.493  -5.092   3.456
   80    HA   ALA  12           HA       ALA  12  -4.150  -4.405   3.415
   81    HB1  ALA  12           HB1      ALA  12  -4.663  -6.631   3.972
   82    HB2  ALA  12           HB2      ALA  12  -3.002  -6.934   4.524
   83    HB3  ALA  12           HB3      ALA  12  -3.335  -6.588   2.808
   84    H    GLU  13           HN       GLU  13  -2.224  -5.426   6.276
   85    HA   GLU  13           HA       GLU  13  -4.371  -5.309   8.039
   86    HB2  GLU  13           HB2      GLU  13  -2.725  -5.143   9.874
   87    HB3  GLU  13           HB1      GLU  13  -2.324  -6.405   8.721
   88    HG2  GLU  13           HG2      GLU  13  -0.640  -5.011   7.736
   89    HG3  GLU  13           HG1      GLU  13  -1.095  -3.671   8.783
   90    H    ILE  14           HN       ILE  14  -2.313  -2.785   6.960
   91    HA   ILE  14           HA       ILE  14  -3.331  -0.821   8.767
   92    HB   ILE  14           HB       ILE  14  -2.001  -0.400   6.056
   93   HG12  ILE  14          HG12      ILE  14  -0.718  -0.411   8.783
   94   HG13  ILE  14          HG11      ILE  14  -0.795  -1.847   7.771
   95   HG21  ILE  14          HG21      ILE  14  -2.259   1.340   8.534
   96   HG22  ILE  14          HG22      ILE  14  -3.145   1.583   7.027
   97   HG23  ILE  14          HG23      ILE  14  -1.388   1.773   7.062
   98   HD11  ILE  14          HD11      ILE  14   0.532   0.755   7.053
   99   HD12  ILE  14          HD12      ILE  14   0.439  -0.705   6.049
  100   HD13  ILE  14          HD13      ILE  14   1.333  -0.739   7.568
  101    H    VAL  15           HN       VAL  15  -4.034  -1.598   5.365
  102    HA   VAL  15           HA       VAL  15  -6.132   0.143   4.815
  103    HB   VAL  15           HB       VAL  15  -5.769  -2.693   3.816
  104   HG11  VAL  15          HG11      VAL  15  -7.988  -1.786   3.306
  105   HG12  VAL  15          HG12      VAL  15  -7.017  -1.938   1.846
  106   HG13  VAL  15          HG13      VAL  15  -7.246  -0.357   2.587
  107   HG21  VAL  15          HG21      VAL  15  -4.619  -1.700   1.971
  108   HG22  VAL  15          HG22      VAL  15  -3.792  -1.382   3.490
  109   HG23  VAL  15          HG23      VAL  15  -4.735  -0.095   2.710
  110    H    ASN  16           HN       ASN  16  -6.153  -3.032   6.372
  111    HA   ASN  16           HA       ASN  16  -8.896  -3.507   6.620
  112    HB2  ASN  16           HB2      ASN  16  -6.905  -4.014   8.846
  113    HB3  ASN  16           HB1      ASN  16  -8.457  -4.772   8.629
  114   HD21  ASN  16          HD21      ASN  16  -7.697  -5.083   5.625
  115   HD22  ASN  16          HD22      ASN  16  -6.679  -6.455   5.697
  116    H    GLU  17           HN       GLU  17  -6.696  -1.830   8.774
  117    HA   GLU  17           HA       GLU  17  -8.567  -1.195  10.734
  118    HB2  GLU  17           HB2      GLU  17  -5.945   0.128  10.112
  119    HB3  GLU  17           HB1      GLU  17  -6.863   0.323  11.600
  120    HG2  GLU  17           HG2      GLU  17  -5.676  -2.224  10.560
  121    HG3  GLU  17           HG1      GLU  17  -5.044  -1.258  11.906
  122    H    ILE  18           HN       ILE  18  -7.293   0.817   8.079
  123    HA   ILE  18           HA       ILE  18  -9.022   2.997   9.024
  124    HB   ILE  18           HB       ILE  18  -7.522   3.138   6.442
  125   HG12  ILE  18          HG12      ILE  18  -6.222   3.754   9.090
  126   HG13  ILE  18          HG11      ILE  18  -5.953   2.217   8.239
  127   HG21  ILE  18          HG21      ILE  18  -8.142   5.102   8.650
  128   HG22  ILE  18          HG22      ILE  18  -8.964   4.986   7.085
  129   HG23  ILE  18          HG23      ILE  18  -7.265   5.466   7.165
  130   HD11  ILE  18          HD11      ILE  18  -4.192   3.840   7.797
  131   HD12  ILE  18          HD12      ILE  18  -5.420   4.971   7.192
  132   HD13  ILE  18          HD13      ILE  18  -5.122   3.484   6.336
  133    H    ALA  19           HN       ALA  19  -8.523   1.294   5.864
  134    HA   ALA  19           HA       ALA  19 -10.930   2.431   4.792
  135    HB1  ALA  19           HB1      ALA  19  -8.993   1.960   3.374
  136    HB2  ALA  19           HB2      ALA  19 -10.446   1.150   2.791
  137    HB3  ALA  19           HB3      ALA  19  -9.216   0.234   3.657
  138    H    GLY  20           HN       GLY  20 -10.019  -0.748   5.940
  139    HA2  GLY  20           HA2      GLY  20 -11.586  -2.191   6.975
  140    HA3  GLY  20           HA1      GLY  20 -12.871  -1.396   6.075
  141    H    ILE  21           HN       ILE  21 -10.038  -2.170   4.248
  142    HA   ILE  21           HA       ILE  21 -11.549  -4.189   2.844
  143    HB   ILE  21           HB       ILE  21  -8.763  -3.107   2.345
  144   HG12  ILE  21          HG12      ILE  21 -10.426  -1.420   1.993
  145   HG13  ILE  21          HG11      ILE  21  -9.888  -2.001   0.417
  146   HG21  ILE  21          HG21      ILE  21  -8.926  -4.222   0.165
  147   HG22  ILE  21          HG22      ILE  21 -10.478  -4.918   0.640
  148   HG23  ILE  21          HG23      ILE  21  -9.007  -5.383   1.491
  149   HD11  ILE  21          HD11      ILE  21 -11.838  -3.431   0.289
  150   HD12  ILE  21          HD12      ILE  21 -12.273  -1.715   0.470
  151   HD13  ILE  21          HD13      ILE  21 -12.366  -2.819   1.861
  152    HA   PRO  22           HA       PRO  22 -10.093  -7.376   5.605
  153    HB2  PRO  22           HB2      PRO  22 -10.687  -8.994   3.169
  154    HB3  PRO  22           HB1      PRO  22 -11.156  -9.275   4.855
  155    HG2  PRO  22           HG2      PRO  22 -12.963  -8.318   3.230
  156    HG3  PRO  22           HG1      PRO  22 -12.729  -7.562   4.828
  157    HD2  PRO  22           HD2      PRO  22 -11.744  -6.626   2.157
  158    HD3  PRO  22           HD1      PRO  22 -12.544  -5.699   3.446
  159    H    VAL  23           HN       VAL  23  -8.467  -8.903   5.836
  160    HA   VAL  23           HA       VAL  23  -5.964  -8.205   4.815
  161    HB   VAL  23           HB       VAL  23  -5.066 -10.262   5.860
  162   HG11  VAL  23          HG11      VAL  23  -5.733  -9.808   8.150
  163   HG12  VAL  23          HG12      VAL  23  -7.092  -8.851   7.559
  164   HG13  VAL  23          HG13      VAL  23  -5.438  -8.322   7.248
  165   HG21  VAL  23          HG21      VAL  23  -6.555 -11.803   7.062
  166   HG22  VAL  23          HG22      VAL  23  -6.852 -11.823   5.322
  167   HG23  VAL  23          HG23      VAL  23  -7.955 -10.961   6.395
  168    H    GLU  24           HN       GLU  24  -8.288 -10.358   3.560
  169    HA   GLU  24           HA       GLU  24  -6.329 -11.508   1.743
  170    HB2  GLU  24           HB2      GLU  24  -8.078 -13.308   1.471
  171    HB3  GLU  24           HB1      GLU  24  -7.229 -13.229   3.009
  172    HG2  GLU  24           HG2      GLU  24  -9.153 -11.984   3.944
  173    HG3  GLU  24           HG1      GLU  24 -10.010 -12.252   2.425
  174    H    ASP  25           HN       ASP  25  -8.656  -9.138   1.803
  175    HA   ASP  25           HA       ASP  25  -9.614  -9.762  -0.852
  176    HB2  ASP  25           HB2      ASP  25 -11.050  -8.561   0.927
  177    HB3  ASP  25           HB1      ASP  25 -10.036  -7.150   0.634
  178    H    VAL  26           HN       VAL  26  -7.368  -7.707   0.856
  179    HA   VAL  26           HA       VAL  26  -6.310  -6.283  -1.291
  180    HB   VAL  26           HB       VAL  26  -5.038  -7.195   1.324
  181   HG11  VAL  26          HG11      VAL  26  -3.302  -6.596  -0.254
  182   HG12  VAL  26          HG12      VAL  26  -3.424  -5.380   1.014
  183   HG13  VAL  26          HG13      VAL  26  -4.097  -5.060  -0.587
  184   HG21  VAL  26          HG21      VAL  26  -7.000  -5.813   1.677
  185   HG22  VAL  26          HG22      VAL  26  -6.349  -4.577   0.599
  186   HG23  VAL  26          HG23      VAL  26  -5.537  -4.938   2.121
  187    H    LYS  27           HN       LYS  27  -6.224  -7.848  -2.877
  188    HA   LYS  27           HA       LYS  27  -3.964  -9.713  -2.767
  189    HB2  LYS  27           HB2      LYS  27  -6.230  -9.525  -4.774
  190    HB3  LYS  27           HB1      LYS  27  -4.958 -10.751  -4.805
  191    HG2  LYS  27           HG2      LYS  27  -5.774 -11.573  -2.618
  192    HG3  LYS  27           HG1      LYS  27  -7.070 -10.380  -2.680
  193    HD2  LYS  27           HD2      LYS  27  -7.839 -11.429  -4.808
  194    HD3  LYS  27           HD1      LYS  27  -6.619 -12.682  -4.572
  195    HE2  LYS  27           HE2      LYS  27  -8.900 -12.050  -2.695
  196    HE3  LYS  27           HE1      LYS  27  -8.818 -13.427  -3.790
  197    HZ1  LYS  27           HZ1      LYS  27  -6.983 -12.942  -1.481
  198    HZ2  LYS  27           HZ2      LYS  27  -6.918 -14.268  -2.522
  199    HZ3  LYS  27           HZ3      LYS  27  -8.264 -14.024  -1.528
  200    H    LEU  28           HN       LEU  28  -2.561  -9.630  -4.767
  201    HA   LEU  28           HA       LEU  28  -1.672  -7.022  -4.768
  202    HB2  LEU  28           HB2      LEU  28   0.199  -7.693  -6.018
  203    HB3  LEU  28           HB1      LEU  28  -0.254  -9.026  -4.987
  204    HG   LEU  28           HG       LEU  28  -1.444  -9.872  -7.189
  205   HD11  LEU  28          HD11      LEU  28   0.783  -8.130  -8.166
  206   HD12  LEU  28          HD12      LEU  28  -0.930  -7.841  -8.420
  207   HD13  LEU  28          HD13      LEU  28  -0.144  -9.253  -9.176
  208   HD21  LEU  28          HD21      LEU  28   1.536 -10.030  -6.707
  209   HD22  LEU  28          HD22      LEU  28   0.590 -11.141  -7.697
  210   HD23  LEU  28          HD23      LEU  28   0.312 -11.054  -5.958
  211    H    ASP  29           HN       ASP  29  -3.559  -8.494  -7.393
  212    HA   ASP  29           HA       ASP  29  -3.205  -6.026  -8.925
  213    HB2  ASP  29           HB2      ASP  29  -3.235  -8.176 -10.066
  214    HB3  ASP  29           HB1      ASP  29  -4.916  -8.438  -9.609
  215    H    LYS  30           HN       LYS  30  -4.742  -6.239  -6.307
  216    HA   LYS  30           HA       LYS  30  -7.354  -5.394  -7.183
  217    HB2  LYS  30           HB2      LYS  30  -6.213  -5.797  -4.428
  218    HB3  LYS  30           HB1      LYS  30  -7.855  -5.328  -4.796
  219    HG2  LYS  30           HG2      LYS  30  -6.666  -7.895  -5.759
  220    HG3  LYS  30           HG1      LYS  30  -7.525  -7.744  -4.217
  221    HD2  LYS  30           HD2      LYS  30  -9.472  -6.952  -5.442
  222    HD3  LYS  30           HD1      LYS  30  -8.590  -7.165  -6.949
  223    HE2  LYS  30           HE2      LYS  30  -8.374  -9.534  -6.536
  224    HE3  LYS  30           HE1      LYS  30  -9.164  -9.355  -4.970
  225    HZ1  LYS  30           HZ1      LYS  30 -11.162  -8.767  -5.998
  226    HZ2  LYS  30           HZ2      LYS  30 -10.585 -10.158  -6.816
  227    HZ3  LYS  30           HZ3      LYS  30 -10.423  -8.621  -7.523
  228    H    SER  31           HN       SER  31  -6.720  -3.515  -8.123
  229    HA   SER  31           HA       SER  31  -5.383  -1.366  -7.118
  230    HB2  SER  31           HB2      SER  31  -8.111  -1.165  -8.400
  231    HB3  SER  31           HB1      SER  31  -6.748  -0.048  -8.546
  232    HG   SER  31           HG       SER  31  -7.219  -1.713 -10.307
  233    H    PHE  32           HN       PHE  32  -5.531  -0.931  -4.996
  234    HA   PHE  32           HA       PHE  32  -7.411  -1.255  -3.139
  235    HB2  PHE  32           HB2      PHE  32  -5.512   1.007  -3.457
  236    HB3  PHE  32           HB1      PHE  32  -6.621   0.992  -2.085
  237    HD1  PHE  32           HD1      PHE  32  -6.586  -1.012  -0.578
  238    HD2  PHE  32           HD2      PHE  32  -3.496  -0.212  -3.410
  239    HE1  PHE  32           HE1      PHE  32  -5.100  -2.448   0.679
  240    HE2  PHE  32           HE2      PHE  32  -1.987  -1.601  -2.193
  241    HZ   PHE  32           HZ       PHE  32  -2.742  -2.770  -0.107
  242    H    THR  33           HN       THR  33  -7.228   1.982  -4.702
  243    HA   THR  33           HA       THR  33  -9.793   2.841  -3.994
  244    HB   THR  33           HB       THR  33  -8.227   4.003  -6.232
  245    HG1  THR  33           HG1      THR  33  -6.431   3.962  -5.148
  246   HG21  THR  33          HG21      THR  33 -10.080   5.250  -5.141
  247   HG22  THR  33          HG22      THR  33  -8.509   6.032  -4.891
  248   HG23  THR  33          HG23      THR  33  -9.234   5.090  -3.594
  249    H    ASP  34           HN       ASP  34 -10.194   0.352  -5.415
  250    HA   ASP  34           HA       ASP  34 -11.987   1.112  -7.494
  251    HB2  ASP  34           HB2      ASP  34 -10.005   1.460  -8.845
  252    HB3  ASP  34           HB1      ASP  34  -9.380  -0.122  -8.408
  253    H    ASP  35           HN       ASP  35  -9.853  -1.598  -6.837
  254    HA   ASP  35           HA       ASP  35 -11.880  -3.605  -7.428
  255    HB2  ASP  35           HB2      ASP  35  -9.143  -3.419  -7.477
  256    HB3  ASP  35           HB1      ASP  35  -9.436  -4.540  -6.180
  257    H    LEU  36           HN       LEU  36 -10.272  -2.216  -4.738
  258    HA   LEU  36           HA       LEU  36 -11.449  -4.164  -2.938
  259    HB2  LEU  36           HB2      LEU  36  -9.497  -1.933  -2.412
  260    HB3  LEU  36           HB1      LEU  36 -10.017  -3.138  -1.243
  261    HG   LEU  36           HG       LEU  36  -8.468  -3.670  -3.770
  262   HD11  LEU  36          HD11      LEU  36  -7.118  -2.668  -2.025
  263   HD12  LEU  36          HD12      LEU  36  -6.699  -4.363  -2.258
  264   HD13  LEU  36          HD13      LEU  36  -7.686  -3.877  -0.877
  265   HD21  LEU  36          HD21      LEU  36  -9.438  -5.518  -1.634
  266   HD22  LEU  36          HD22      LEU  36  -8.387  -5.951  -2.988
  267   HD23  LEU  36          HD23      LEU  36 -10.042  -5.412  -3.286
  268    H    ASP  37           HN       ASP  37 -10.838  -0.916  -2.186
  269    HA   ASP  37           HA       ASP  37 -12.726   0.766  -2.472
  270    HB2  ASP  37           HB2      ASP  37 -14.555  -0.910  -1.856
  271    HB3  ASP  37           HB1      ASP  37 -13.959  -0.853  -0.203
  272    H    VAL  38           HN       VAL  38 -10.569   1.447  -1.839
  273    HA   VAL  38           HA       VAL  38 -10.323   1.771   1.035
  274    HB   VAL  38           HB       VAL  38  -8.352   1.212  -0.462
  275   HG11  VAL  38          HG11      VAL  38  -8.574   4.100  -1.258
  276   HG12  VAL  38          HG12      VAL  38  -8.746   2.688  -2.302
  277   HG13  VAL  38          HG13      VAL  38  -7.183   3.066  -1.580
  278   HG21  VAL  38          HG21      VAL  38  -8.078   3.637   1.299
  279   HG22  VAL  38          HG22      VAL  38  -6.738   2.646   0.723
  280   HG23  VAL  38          HG23      VAL  38  -7.958   1.946   1.788
  281    H    ASP  39           HN       ASP  39 -10.189   3.953   1.974
  282    HA   ASP  39           HA       ASP  39 -12.199   5.730   0.971
  283    HB2  ASP  39           HB2      ASP  39 -10.088   6.499   2.964
  284    HB3  ASP  39           HB1      ASP  39 -11.728   7.092   2.821
  285    H    SER  40           HN       SER  40  -9.055   5.197   0.142
  286    HA   SER  40           HA       SER  40  -7.316   6.154  -0.705
  287    HB2  SER  40           HB2      SER  40  -7.555   8.094  -2.272
  288    HB3  SER  40           HB1      SER  40  -8.802   6.886  -2.530
  289    H    LEU  41           HN       LEU  41  -9.008   7.877   1.640
  290    HA   LEU  41           HA       LEU  41  -6.998   9.867   2.219
  291    HB2  LEU  41           HB2      LEU  41  -9.369   8.937   3.840
  292    HB3  LEU  41           HB1      LEU  41  -8.439  10.397   4.108
  293    HG   LEU  41           HG       LEU  41 -10.183   9.864   1.699
  294   HD11  LEU  41          HD11      LEU  41 -11.660  11.564   2.674
  295   HD12  LEU  41          HD12      LEU  41 -10.621  11.646   4.093
  296   HD13  LEU  41          HD13      LEU  41 -11.502  10.162   3.735
  297   HD21  LEU  41          HD21      LEU  41  -8.718  12.357   2.567
  298   HD22  LEU  41          HD22      LEU  41  -9.824  12.236   1.197
  299   HD23  LEU  41          HD23      LEU  41  -8.308  11.337   1.188
  300    H    SER  42           HN       SER  42  -7.845   6.565   3.016
  301    HA   SER  42           HA       SER  42  -6.508   6.364   5.429
  302    HB2  SER  42           HB2      SER  42  -6.756   3.865   4.332
  303    HB3  SER  42           HB1      SER  42  -7.994   4.705   5.263
  304    HG   SER  42           HG       SER  42  -9.141   4.585   3.620
  305    H    MET  43           HN       MET  43  -5.681   6.490   2.077
  306    HA   MET  43           HA       MET  43  -3.594   4.619   2.132
  307    HB2  MET  43           HB2      MET  43  -4.804   5.525   0.087
  308    HB3  MET  43           HB1      MET  43  -3.741   6.928   0.228
  309    HG2  MET  43           HG2      MET  43  -2.829   5.321  -1.316
  310    HG3  MET  43           HG1      MET  43  -1.803   5.458   0.121
  311    HE1  MET  43           HE1      MET  43  -4.403   3.229  -1.791
  312    HE2  MET  43           HE2      MET  43  -5.232   3.750  -0.338
  313    HE3  MET  43           HE3      MET  43  -4.821   2.041  -0.551
  314    H    VAL  44           HN       VAL  44  -3.831   8.035   2.700
  315    HA   VAL  44           HA       VAL  44  -1.091   8.490   2.699
  316    HB   VAL  44           HB       VAL  44  -3.221  10.095   4.141
  317   HG11  VAL  44          HG11      VAL  44  -0.980  10.663   4.918
  318   HG12  VAL  44          HG12      VAL  44  -1.661  11.980   3.964
  319   HG13  VAL  44          HG13      VAL  44  -0.450  10.913   3.255
  320   HG21  VAL  44          HG21      VAL  44  -3.258  11.498   2.108
  321   HG22  VAL  44          HG22      VAL  44  -3.718   9.832   1.752
  322   HG23  VAL  44          HG23      VAL  44  -2.117  10.401   1.337
  323    H    GLU  45           HN       GLU  45  -3.220   7.223   5.143
  324    HA   GLU  45           HA       GLU  45  -1.223   7.450   7.211
  325    HB2  GLU  45           HB2      GLU  45  -3.782   5.844   7.214
  326    HB3  GLU  45           HB1      GLU  45  -2.817   6.286   8.612
  327    HG2  GLU  45           HG2      GLU  45  -4.432   8.135   6.872
  328    HG3  GLU  45           HG1      GLU  45  -4.798   7.642   8.525
  329    H    VAL  46           HN       VAL  46  -2.535   5.102   4.943
  330    HA   VAL  46           HA       VAL  46  -1.295   2.816   5.972
  331    HB   VAL  46           HB       VAL  46  -2.109   3.336   3.061
  332   HG11  VAL  46          HG11      VAL  46  -0.559   1.446   3.173
  333   HG12  VAL  46          HG12      VAL  46  -2.223   0.907   2.833
  334   HG13  VAL  46          HG13      VAL  46  -1.562   0.731   4.448
  335   HG21  VAL  46          HG21      VAL  46  -4.022   3.479   4.542
  336   HG22  VAL  46          HG22      VAL  46  -3.585   1.944   5.285
  337   HG23  VAL  46          HG23      VAL  46  -4.105   1.983   3.603
  338    H    VAL  47           HN       VAL  47  -0.298   5.280   3.776
  339    HA   VAL  47           HA       VAL  47   2.150   4.275   2.785
  340    HB   VAL  47           HB       VAL  47   0.879   7.002   3.065
  341   HG11  VAL  47          HG11      VAL  47   3.275   7.384   3.422
  342   HG12  VAL  47          HG12      VAL  47   2.744   8.013   1.864
  343   HG13  VAL  47          HG13      VAL  47   3.630   6.488   1.948
  344   HG21  VAL  47          HG21      VAL  47   0.103   5.569   1.291
  345   HG22  VAL  47          HG22      VAL  47   1.752   5.364   0.702
  346   HG23  VAL  47          HG23      VAL  47   0.977   6.948   0.627
  347    H    VAL  48           HN       VAL  48   1.719   6.686   5.349
  348    HA   VAL  48           HA       VAL  48   4.452   6.599   6.004
  349    HB   VAL  48           HB       VAL  48   2.134   7.523   7.748
  350   HG11  VAL  48          HG11      VAL  48   5.075   8.186   7.939
  351   HG12  VAL  48          HG12      VAL  48   4.171   7.180   9.068
  352   HG13  VAL  48          HG13      VAL  48   3.792   8.896   8.919
  353   HG21  VAL  48          HG21      VAL  48   2.190   8.658   5.618
  354   HG22  VAL  48          HG22      VAL  48   3.903   9.003   5.829
  355   HG23  VAL  48          HG23      VAL  48   2.716   9.764   6.897
  356    H    ALA  49           HN       ALA  49   1.825   4.630   6.969
  357    HA   ALA  49           HA       ALA  49   3.162   3.400   9.185
  358    HB1  ALA  49           HB1      ALA  49   1.302   1.790   9.107
  359    HB2  ALA  49           HB2      ALA  49   0.799   2.466   7.554
  360    HB3  ALA  49           HB3      ALA  49   0.719   3.453   9.005
  361    H    ALA  50           HN       ALA  50   2.749   2.668   5.768
  362    HA   ALA  50           HA       ALA  50   4.089   0.151   5.827
  363    HB1  ALA  50           HB1      ALA  50   4.036   0.285   3.392
  364    HB2  ALA  50           HB2      ALA  50   3.560   1.981   3.485
  365    HB3  ALA  50           HB3      ALA  50   2.472   0.725   4.074
  366    H    GLU  51           HN       GLU  51   5.062   3.462   5.050
  367    HA   GLU  51           HA       GLU  51   7.644   2.973   4.148
  368    HB2  GLU  51           HB2      GLU  51   6.565   5.228   5.741
  369    HB3  GLU  51           HB1      GLU  51   8.051   5.302   4.849
  370    HG2  GLU  51           HG2      GLU  51   6.879   5.074   2.775
  371    HG3  GLU  51           HG1      GLU  51   5.335   4.894   3.610
  372    H    GLU  52           HN       GLU  52   6.210   3.234   7.256
  373    HA   GLU  52           HA       GLU  52   8.541   3.584   8.841
  374    HB2  GLU  52           HB2      GLU  52   6.330   4.140   9.651
  375    HB3  GLU  52           HB1      GLU  52   5.811   2.475   9.482
  376    HG2  GLU  52           HG2      GLU  52   7.388   1.821  11.240
  377    HG3  GLU  52           HG1      GLU  52   7.880   3.507  11.405
  378    H    ARG  53           HN       ARG  53   6.608   0.837   7.896
  379    HA   ARG  53           HA       ARG  53   8.208  -0.956   9.459
  380    HB2  ARG  53           HB2      ARG  53   6.597  -2.636   8.827
  381    HB3  ARG  53           HB1      ARG  53   5.827  -1.143   9.372
  382    HG2  ARG  53           HG2      ARG  53   5.159  -0.567   7.213
  383    HG3  ARG  53           HG1      ARG  53   6.156  -1.830   6.488
  384    HD2  ARG  53           HD2      ARG  53   3.792  -2.429   6.558
  385    HD3  ARG  53           HD1      ARG  53   4.813  -3.529   7.482
  386    HE   ARG  53           HE       ARG  53   3.583  -1.370   8.975
  387   HH11  ARG  53          HH11      ARG  53   3.441  -4.843   8.089
  388   HH12  ARG  53          HH12      ARG  53   2.175  -5.186   9.163
  389   HH21  ARG  53          HH21      ARG  53   1.838  -1.953  10.588
  390   HH22  ARG  53          HH22      ARG  53   1.298  -3.554  10.572
  391    H    PHE  54           HN       PHE  54   7.908  -0.105   6.098
  392    HA   PHE  54           HA       PHE  54   9.592  -2.371   5.364
  393    HB2  PHE  54           HB2      PHE  54   8.081  -0.434   3.628
  394    HB3  PHE  54           HB1      PHE  54   9.048  -1.782   3.042
  395    HD1  PHE  54           HD1      PHE  54   8.378  -4.024   4.592
  396    HD2  PHE  54           HD2      PHE  54   5.857  -0.828   3.363
  397    HE1  PHE  54           HE1      PHE  54   6.420  -5.497   4.778
  398    HE2  PHE  54           HE2      PHE  54   3.897  -2.293   3.553
  399    HZ   PHE  54           HZ       PHE  54   4.177  -4.626   4.263
  400    H    ASP  55           HN       ASP  55   9.847   0.922   6.008
  401    HA   ASP  55           HA       ASP  55  11.474   2.435   5.968
  402    HB2  ASP  55           HB2      ASP  55  12.792   0.506   6.985
  403    HB3  ASP  55           HB1      ASP  55  13.435   0.189   5.381
  404    H    VAL  56           HN       VAL  56  10.374   1.097   3.372
  405    HA   VAL  56           HA       VAL  56  12.372   1.756   1.420
  406    HB   VAL  56           HB       VAL  56  10.891  -0.104   0.947
  407   HG11  VAL  56          HG11      VAL  56   8.945   0.442   2.146
  408   HG12  VAL  56          HG12      VAL  56   8.462   0.391   0.426
  409   HG13  VAL  56          HG13      VAL  56   8.732   1.923   1.231
  410   HG21  VAL  56          HG21      VAL  56  10.264   2.194  -0.893
  411   HG22  VAL  56          HG22      VAL  56  10.101   0.476  -1.281
  412   HG23  VAL  56          HG23      VAL  56  11.689   1.163  -0.960
  413    H    LYS  57           HN       LYS  57   9.583   3.164   2.736
  414    HA   LYS  57           HA       LYS  57   8.695   5.272   2.766
  415    HB2  LYS  57           HB2      LYS  57  11.184   5.815   3.153
  416    HB3  LYS  57           HB1      LYS  57  11.222   6.299   1.465
  417    HG2  LYS  57           HG2      LYS  57  10.922   8.265   2.766
  418    HG3  LYS  57           HG1      LYS  57   9.370   7.897   1.987
  419    HD2  LYS  57           HD2      LYS  57   8.670   6.727   4.053
  420    HD3  LYS  57           HD1      LYS  57  10.160   7.269   4.823
  421    HE2  LYS  57           HE2      LYS  57   9.456   9.603   4.551
  422    HE3  LYS  57           HE1      LYS  57   8.039   9.012   3.653
  423    HZ1  LYS  57           HZ1      LYS  57   7.137   8.042   5.510
  424    HZ2  LYS  57           HZ2      LYS  57   7.590   9.564   6.050
  425    HZ3  LYS  57           HZ3      LYS  57   8.534   8.207   6.444
  426    H    ILE  58           HN       ILE  58   6.991   4.992   1.299
  427    HA   ILE  58           HA       ILE  58   7.450   6.082  -1.405
  428    HB   ILE  58           HB       ILE  58   4.952   4.530  -0.830
  429   HG12  ILE  58          HG12      ILE  58   6.091   2.485  -1.930
  430   HG13  ILE  58          HG11      ILE  58   7.591   3.205  -1.336
  431   HG21  ILE  58          HG21      ILE  58   6.462   5.010  -3.352
  432   HG22  ILE  58          HG22      ILE  58   4.936   5.731  -2.818
  433   HG23  ILE  58          HG23      ILE  58   5.005   4.038  -3.205
  434   HD11  ILE  58          HD11      ILE  58   6.716   3.189   0.925
  435   HD12  ILE  58          HD12      ILE  58   6.709   1.562   0.228
  436   HD13  ILE  58          HD13      ILE  58   5.209   2.485   0.345
  437    HA   PRO  59           HA       PRO  59   4.820   8.940   0.966
  438    HB2  PRO  59           HB2      PRO  59   5.029  10.896  -0.975
  439    HB3  PRO  59           HB1      PRO  59   6.142  10.743   0.390
  440    HG2  PRO  59           HG2      PRO  59   6.456   9.794  -2.430
  441    HG3  PRO  59           HG1      PRO  59   7.664  10.533  -1.359
  442    HD2  PRO  59           HD2      PRO  59   7.599   7.887  -1.816
  443    HD3  PRO  59           HD1      PRO  59   8.019   8.545  -0.217
  444    H    ASP  60           HN       ASP  60   2.689   9.573   0.508
  445    HA   ASP  60           HA       ASP  60   1.205   7.978  -1.219
  446    HB2  ASP  60           HB2      ASP  60  -0.027   8.913   0.541
  447    HB3  ASP  60           HB1      ASP  60   0.541  10.553   0.215
  448    H    ASP  61           HN       ASP  61   2.690  10.952  -1.775
  449    HA   ASP  61           HA       ASP  61   1.584  11.766  -4.273
  450    HB2  ASP  61           HB2      ASP  61   2.929  13.170  -2.716
  451    HB3  ASP  61           HB1      ASP  61   4.328  12.181  -3.064
  452    H    ASP  62           HN       ASP  62   3.973   9.457  -3.438
  453    HA   ASP  62           HA       ASP  62   4.719   8.954  -6.276
  454    HB2  ASP  62           HB2      ASP  62   6.502   8.938  -4.380
  455    HB3  ASP  62           HB1      ASP  62   5.756   7.419  -3.881
  456    H    VAL  63           HN       VAL  63   3.193   7.561  -3.522
  457    HA   VAL  63           HA       VAL  63   2.687   4.985  -4.415
  458    HB   VAL  63           HB       VAL  63   2.284   6.348  -2.087
  459   HG11  VAL  63          HG11      VAL  63  -0.470   5.655  -3.062
  460   HG12  VAL  63          HG12      VAL  63   0.153   7.257  -2.678
  461   HG13  VAL  63          HG13      VAL  63  -0.044   6.060  -1.401
  462   HG21  VAL  63          HG21      VAL  63   2.880   4.041  -2.256
  463   HG22  VAL  63          HG22      VAL  63   1.261   3.629  -2.824
  464   HG23  VAL  63          HG23      VAL  63   1.495   4.218  -1.180
  465    H    LYS  64           HN       LYS  64   1.114   7.863  -5.322
  466    HA   LYS  64           HA       LYS  64  -1.304   6.982  -6.121
  467    HB2  LYS  64           HB2      LYS  64  -1.338   8.767  -7.838
  468    HB3  LYS  64           HB1      LYS  64  -0.749   9.327  -6.285
  469    HG2  LYS  64           HG2      LYS  64   1.524   9.273  -7.106
  470    HG3  LYS  64           HG1      LYS  64   0.971   8.618  -8.646
  471    HD2  LYS  64           HD2      LYS  64   1.383  11.004  -8.834
  472    HD3  LYS  64           HD1      LYS  64  -0.336  10.653  -9.033
  473    HE2  LYS  64           HE2      LYS  64  -0.776  11.369  -6.759
  474    HE3  LYS  64           HE1      LYS  64   0.947  11.599  -6.467
  475    HZ1  LYS  64           HZ1      LYS  64   0.921  13.285  -8.237
  476    HZ2  LYS  64           HZ2      LYS  64  -0.003  13.711  -6.911
  477    HZ3  LYS  64           HZ3      LYS  64  -0.764  13.187  -8.327
  478    H    ASN  65           HN       ASN  65   1.747   6.578  -7.598
  479    HA   ASN  65           HA       ASN  65   0.822   5.635 -10.158
  480    HB2  ASN  65           HB2      ASN  65   3.518   5.281  -8.830
  481    HB3  ASN  65           HB1      ASN  65   3.187   4.891 -10.502
  482   HD21  ASN  65          HD21      ASN  65   3.826   7.327  -8.220
  483   HD22  ASN  65          HD22      ASN  65   4.027   8.642  -9.320
  484    H    LEU  66           HN       LEU  66   1.029   4.306  -7.046
  485    HA   LEU  66           HA       LEU  66   1.466   1.559  -7.929
  486    HB2  LEU  66           HB2      LEU  66   1.312   2.677  -5.166
  487    HB3  LEU  66           HB1      LEU  66   1.807   1.079  -5.719
  488    HG   LEU  66           HG       LEU  66   3.296   3.672  -6.228
  489   HD11  LEU  66          HD11      LEU  66   4.910   2.873  -4.586
  490   HD12  LEU  66          HD12      LEU  66   3.857   1.495  -4.236
  491   HD13  LEU  66          HD13      LEU  66   3.308   3.142  -3.906
  492   HD21  LEU  66          HD21      LEU  66   5.165   2.253  -6.910
  493   HD22  LEU  66          HD22      LEU  66   3.747   1.983  -7.927
  494   HD23  LEU  66          HD23      LEU  66   4.164   0.826  -6.663
  495    H    LYS  67           HN       LYS  67  -0.848   2.996  -8.381
  496    HA   LYS  67           HA       LYS  67  -3.123   2.915  -7.040
  497    HB2  LYS  67           HB2      LYS  67  -4.263   2.205  -9.084
  498    HB3  LYS  67           HB1      LYS  67  -3.011   3.413  -9.364
  499    HG2  LYS  67           HG2      LYS  67  -1.479   1.710 -10.061
  500    HG3  LYS  67           HG1      LYS  67  -2.663   0.445  -9.804
  501    HD2  LYS  67           HD2      LYS  67  -2.724   0.920 -12.128
  502    HD3  LYS  67           HD1      LYS  67  -4.104   1.805 -11.473
  503    HE2  LYS  67           HE2      LYS  67  -2.880   3.227 -13.003
  504    HE3  LYS  67           HE1      LYS  67  -2.711   3.838 -11.356
  505    HZ1  LYS  67           HZ1      LYS  67  -0.703   2.194 -12.806
  506    HZ2  LYS  67           HZ2      LYS  67  -0.503   2.745 -11.242
  507    HZ3  LYS  67           HZ3      LYS  67  -0.552   3.839 -12.504
  508    H    THR  68           HN       THR  68  -1.438  -0.151  -7.848
  509    HA   THR  68           HA       THR  68  -3.652  -1.480  -6.555
  510    HB   THR  68           HB       THR  68  -2.987  -3.560  -7.565
  511    HG1  THR  68           HG1      THR  68  -1.438  -3.404  -9.356
  512   HG21  THR  68          HG21      THR  68  -3.289  -1.366  -9.590
  513   HG22  THR  68          HG22      THR  68  -4.586  -2.200  -8.733
  514   HG23  THR  68          HG23      THR  68  -3.584  -3.084  -9.895
  515    H    VAL  69           HN       VAL  69  -3.005  -3.506  -5.442
  516    HA   VAL  69           HA       VAL  69  -1.254  -2.889  -3.309
  517    HB   VAL  69           HB       VAL  69  -2.128  -5.613  -4.220
  518   HG11  VAL  69          HG11      VAL  69  -1.450  -4.466  -1.557
  519   HG12  VAL  69          HG12      VAL  69  -0.352  -5.332  -2.615
  520   HG13  VAL  69          HG13      VAL  69  -1.775  -6.188  -1.910
  521   HG21  VAL  69          HG21      VAL  69  -4.095  -4.185  -4.019
  522   HG22  VAL  69          HG22      VAL  69  -3.583  -3.698  -2.402
  523   HG23  VAL  69          HG23      VAL  69  -4.040  -5.373  -2.717
  524    H    GLY  70           HN       GLY  70  -0.990  -5.000  -6.059
  525    HA2  GLY  70           HA2      GLY  70   1.616  -5.910  -5.475
  526    HA3  GLY  70           HA1      GLY  70   0.739  -6.114  -6.990
  527    H    ASP  71           HN       ASP  71   0.331  -3.134  -7.150
  528    HA   ASP  71           HA       ASP  71   2.680  -2.594  -8.654
  529    HB2  ASP  71           HB2      ASP  71   0.240  -1.473  -8.728
  530    HB3  ASP  71           HB1      ASP  71   1.024  -0.433  -7.550
  531    H    ALA  72           HN       ALA  72   1.362  -1.527  -5.578
  532    HA   ALA  72           HA       ALA  72   3.508   0.050  -4.666
  533    HB1  ALA  72           HB1      ALA  72   1.332  -0.032  -3.562
  534    HB2  ALA  72           HB2      ALA  72   2.646  -0.387  -2.441
  535    HB3  ALA  72           HB3      ALA  72   1.646  -1.696  -3.072
  536    H    THR  73           HN       THR  73   2.741  -3.324  -4.208
  537    HA   THR  73           HA       THR  73   4.922  -4.090  -2.676
  538    HB   THR  73           HB       THR  73   3.279  -5.727  -4.631
  539    HG1  THR  73           HG1      THR  73   1.983  -4.754  -3.062
  540   HG21  THR  73          HG21      THR  73   3.849  -7.642  -3.222
  541   HG22  THR  73          HG22      THR  73   4.882  -6.612  -2.227
  542   HG23  THR  73          HG23      THR  73   5.313  -6.933  -3.914
  543    H    LYS  74           HN       LYS  74   4.683  -3.567  -6.118
  544    HA   LYS  74           HA       LYS  74   6.929  -5.039  -7.005
  545    HB2  LYS  74           HB2      LYS  74   4.904  -3.601  -8.150
  546    HB3  LYS  74           HB1      LYS  74   6.251  -2.501  -8.336
  547    HG2  LYS  74           HG2      LYS  74   6.286  -3.657 -10.323
  548    HG3  LYS  74           HG1      LYS  74   7.441  -4.586  -9.362
  549    HD2  LYS  74           HD2      LYS  74   5.881  -6.072 -10.549
  550    HD3  LYS  74           HD1      LYS  74   5.679  -6.192  -8.796
  551    HE2  LYS  74           HE2      LYS  74   3.720  -4.800  -8.850
  552    HE3  LYS  74           HE1      LYS  74   3.966  -4.422 -10.550
  553    HZ1  LYS  74           HZ1      LYS  74   2.216  -6.048 -10.133
  554    HZ2  LYS  74           HZ2      LYS  74   3.355  -7.153  -9.515
  555    HZ3  LYS  74           HZ3      LYS  74   3.434  -6.639 -11.127
  556    H    TYR  75           HN       TYR  75   6.300  -1.658  -6.237
  557    HA   TYR  75           HA       TYR  75   8.887  -0.652  -6.650
  558    HB2  TYR  75           HB2      TYR  75   6.822   0.630  -6.837
  559    HB3  TYR  75           HB1      TYR  75   6.502   0.382  -5.128
  560    HD1  TYR  75           HD1      TYR  75   9.013   1.870  -7.458
  561    HD2  TYR  75           HD2      TYR  75   7.227   1.903  -3.611
  562    HE1  TYR  75           HE1      TYR  75  10.217   3.919  -6.927
  563    HE2  TYR  75           HE2      TYR  75   8.423   3.944  -3.056
  564    HH   TYR  75           HH       TYR  75  10.510   5.028  -3.778
  565    H    ILE  76           HN       ILE  76   7.012  -1.489  -3.812
  566    HA   ILE  76           HA       ILE  76   8.811  -0.643  -1.891
  567    HB   ILE  76           HB       ILE  76   6.545  -2.630  -1.747
  568   HG12  ILE  76          HG12      ILE  76   6.814   0.244  -0.868
  569   HG13  ILE  76          HG11      ILE  76   5.961  -0.338  -2.287
  570   HG21  ILE  76          HG21      ILE  76   7.988  -3.229   0.051
  571   HG22  ILE  76          HG22      ILE  76   6.636  -2.328   0.734
  572   HG23  ILE  76          HG23      ILE  76   8.211  -1.562   0.539
  573   HD11  ILE  76          HD11      ILE  76   4.460   0.235  -0.520
  574   HD12  ILE  76          HD12      ILE  76   5.247  -0.919   0.568
  575   HD13  ILE  76          HD13      ILE  76   4.369  -1.498  -0.857
  576    H    LEU  77           HN       LEU  77   8.391  -3.801  -3.421
  577    HA   LEU  77           HA       LEU  77  10.161  -5.119  -1.671
  578    HB2  LEU  77           HB2      LEU  77   8.423  -6.203  -2.803
  579    HB3  LEU  77           HB1      LEU  77   9.152  -5.938  -4.395
  580    HG   LEU  77           HG       LEU  77  11.070  -7.371  -3.585
  581   HD11  LEU  77          HD11      LEU  77  10.671  -8.751  -1.621
  582   HD12  LEU  77          HD12      LEU  77   9.168  -7.877  -1.317
  583   HD13  LEU  77          HD13      LEU  77  10.716  -7.035  -1.217
  584   HD21  LEU  77          HD21      LEU  77   8.330  -8.642  -3.585
  585   HD22  LEU  77          HD22      LEU  77   9.855  -9.488  -3.843
  586   HD23  LEU  77          HD23      LEU  77   9.301  -8.290  -5.014
  587    H    ASP  78           HN       ASP  78  10.352  -3.693  -4.885
  588    HA   ASP  78           HA       ASP  78  12.964  -4.537  -5.563
  589    HB2  ASP  78           HB2      ASP  78  11.331  -3.872  -7.235
  590    HB3  ASP  78           HB1      ASP  78  11.294  -2.242  -6.591
  591    H    HIS  79           HN       HIS  79  11.750  -1.884  -3.743
  592    HA   HIS  79           HA       HIS  79  14.393  -0.683  -3.633
  593    HB2  HIS  79           HB2      HIS  79  11.670   0.414  -3.199
  594    HB3  HIS  79           HB1      HIS  79  13.034   1.224  -2.457
  595    HD1  HIS  79           HD1      HIS  79  14.208   2.860  -3.902
  596    HD2  HIS  79           HD2      HIS  79  11.955   0.168  -6.103
  597    HE1  HIS  79           HE1      HIS  79  14.387   3.622  -6.278
  598    HE2  HIS  79           HE2      HIS  79  13.421   1.677  -7.550
  599    H    GLN  80           HN       GLN  80  13.052  -2.972  -1.976
  600    HA   GLN  80           HA       GLN  80  12.804  -2.400   0.689
  601    HB2  GLN  80           HB2      GLN  80  13.844  -4.812  -0.694
  602    HB3  GLN  80           HB1      GLN  80  13.826  -4.739   1.062
  603    HG2  GLN  80           HG2      GLN  80  11.449  -4.340  -0.709
  604    HG3  GLN  80           HG1      GLN  80  11.892  -5.863   0.059
  605   HE21  GLN  80          HE21      GLN  80   9.593  -4.100   0.310
  606   HE22  GLN  80          HE22      GLN  80   9.398  -3.869   2.003
  607    H    ALA  81           HN       ALA  81  13.991  -2.267   2.452
  608    HA   ALA  81           HA       ALA  81  16.871  -2.489   2.328
  609    HB1  ALA  81           HB1      ALA  81  15.346  -0.145   3.507
  610    HB2  ALA  81           HB2      ALA  81  16.387  -0.089   2.083
  611    HB3  ALA  81           HB3      ALA  81  17.081  -0.414   3.671
  612    H28  SXH 101          H28B      SXH 101  -6.614   9.968  -2.852
  613   H28A  SXH 101          H28A      SXH 101  -6.778   9.572  -1.177
  614    H30  SXH 101          H30C      SXH 101  -7.068  13.034  -1.912
  615   H30A  SXH 101          H30A      SXH 101  -5.948  12.467  -3.154
  616   H30B  SXH 101          H30B      SXH 101  -5.324  13.435  -1.802
  617    H31  SXH 101          H31A      SXH 101  -5.201  12.338   0.436
  618   H31A  SXH 101          H31C      SXH 101  -6.926  11.975   0.339
  619   H31B  SXH 101          H31B      SXH 101  -5.765  10.674   0.604
  620    H32  SXH 101          H32A      SXH 101  -3.592  11.550  -1.346
  621   HO33  SXH 101          H33A      SXH 101  -3.219   9.376  -1.100
  622   HN36  SXH 101          H36A      SXH 101  -2.549   9.689  -2.622
  623    H37  SXH 101          H37A      SXH 101  -1.929  10.401  -5.196
  624   H37A  SXH 101          H37B      SXH 101  -1.872   8.742  -4.602
  625    H38  SXH 101          H38A      SXH 101  -4.152   9.985  -6.055
  626   H38A  SXH 101          H38B      SXH 101  -3.095   8.659  -6.617
  627   HN41  SXH 101          H41A      SXH 101  -3.235   7.628  -3.832
  628    H42  SXH 101          H42A      SXH 101  -4.815   6.766  -2.367
  629   H42A  SXH 101          H42B      SXH 101  -5.974   6.658  -3.709
  630    H43  SXH 101          H43A      SXH 101  -4.656   5.055  -4.748
  631   H43A  SXH 101          H43B      SXH 101  -4.982   4.536  -3.050
  632    H2   SXH 101           H2A      SXH 101  -0.862   3.555  -2.618
  633    H2A  SXH 101           H2B      SXH 101  -0.601   2.803  -4.184
  634    H3   SXH 101           H3A      SXH 101  -1.645   0.842  -3.597
  635    H3A  SXH 101           H3B      SXH 101  -2.373   1.528  -2.136
  636    H4   SXH 101           H4B      SXH 101  -0.457   0.018  -1.684
  637    H4A  SXH 101           H4A      SXH 101   0.583   1.119  -2.581
  638    H5   SXH 101           H5A      SXH 101  -0.930   1.737  -0.035
  639    H5A  SXH 101           H5B      SXH 101   0.049   2.908  -0.940
  640    H6   SXH 101           H6C      SXH 101   2.008   1.491  -0.618
  641    H6A  SXH 101           H6A      SXH 101   1.027   0.341   0.291
  642    H6B  SXH 101           H6B      SXH 101   1.293   1.966   0.922
  Start of MODEL    6
    1    H1   ALA   1           HT1      ALA   1  14.271  -8.111   5.277
    2    H2   ALA   1           HT2      ALA   1  13.236  -6.928   5.887
    3    H3   ALA   1           HT3      ALA   1  14.721  -6.465   5.183
    4    HA   ALA   1           HA       ALA   1  12.944  -6.036   3.687
    5    HB1  ALA   1           HB1      ALA   1  15.058  -6.828   2.737
    6    HB2  ALA   1           HB2      ALA   1  13.674  -7.347   1.774
    7    HB3  ALA   1           HB3      ALA   1  14.481  -8.493   2.848
    8    H    ALA   2           HN       ALA   2  10.931  -6.371   3.320
    9    HA   ALA   2           HA       ALA   2   9.573  -8.762   4.182
   10    HB1  ALA   2           HB1      ALA   2   7.550  -7.525   3.537
   11    HB2  ALA   2           HB2      ALA   2   8.555  -6.246   2.856
   12    HB3  ALA   2           HB3      ALA   2   8.587  -6.563   4.588
   13    H    THR   3           HN       THR   3   7.743  -9.517   2.454
   14    HA   THR   3           HA       THR   3   9.175  -9.913  -0.047
   15    HB   THR   3           HB       THR   3   7.949 -12.125  -0.101
   16    HG1  THR   3           HG1      THR   3   7.577 -12.641   2.382
   17   HG21  THR   3          HG21      THR   3   9.502 -13.278   1.433
   18   HG22  THR   3          HG22      THR   3   9.893 -11.738   2.194
   19   HG23  THR   3          HG23      THR   3  10.334 -12.025   0.511
   20    H    GLN   4           HN       GLN   4   7.092 -11.090  -1.433
   21    HA   GLN   4           HA       GLN   4   5.472  -8.867  -2.011
   22    HB2  GLN   4           HB2      GLN   4   6.002 -10.528  -3.726
   23    HB3  GLN   4           HB1      GLN   4   5.262 -11.799  -2.787
   24    HG2  GLN   4           HG2      GLN   4   3.633  -9.510  -3.884
   25    HG3  GLN   4           HG1      GLN   4   4.051 -10.899  -4.874
   26   HE21  GLN   4          HE21      GLN   4   2.119  -9.740  -2.264
   27   HE22  GLN   4          HE22      GLN   4   1.121 -11.119  -2.072
   28    H    GLU   5           HN       GLU   5   4.913 -11.898  -0.353
   29    HA   GLU   5           HA       GLU   5   2.271 -11.590   0.412
   30    HB2  GLU   5           HB2      GLU   5   3.646 -13.626   0.609
   31    HB3  GLU   5           HB1      GLU   5   4.521 -12.881   1.934
   32    HG2  GLU   5           HG2      GLU   5   2.362 -12.713   3.158
   33    HG3  GLU   5           HG1      GLU   5   1.639 -13.661   1.851
   34    H    GLU   6           HN       GLU   6   5.225 -10.648   2.071
   35    HA   GLU   6           HA       GLU   6   3.922  -9.727   4.422
   36    HB2  GLU   6           HB2      GLU   6   6.696  -9.201   3.449
   37    HB3  GLU   6           HB1      GLU   6   6.085  -8.667   5.004
   38    HG2  GLU   6           HG2      GLU   6   5.642 -10.996   5.607
   39    HG3  GLU   6           HG1      GLU   6   6.332 -11.501   4.063
   40    H    ILE   7           HN       ILE   7   5.298  -7.900   1.642
   41    HA   ILE   7           HA       ILE   7   4.645  -5.371   2.584
   42    HB   ILE   7           HB       ILE   7   4.560  -6.430  -0.248
   43   HG12  ILE   7          HG12      ILE   7   6.728  -4.904   1.175
   44   HG13  ILE   7          HG11      ILE   7   6.702  -6.658   1.031
   45   HG21  ILE   7          HG21      ILE   7   4.706  -3.577   0.766
   46   HG22  ILE   7          HG22      ILE   7   3.323  -4.323  -0.031
   47   HG23  ILE   7          HG23      ILE   7   4.823  -4.077  -0.921
   48   HD11  ILE   7          HD11      ILE   7   8.129  -5.667  -0.626
   49   HD12  ILE   7          HD12      ILE   7   6.781  -4.696  -1.223
   50   HD13  ILE   7          HD13      ILE   7   6.743  -6.452  -1.378
   51    H    VAL   8           HN       VAL   8   2.823  -7.627   0.667
   52    HA   VAL   8           HA       VAL   8   0.478  -6.088   0.358
   53    HB   VAL   8           HB       VAL   8   0.854  -9.097   0.316
   54   HG11  VAL   8          HG11      VAL   8  -1.474  -8.599   0.983
   55   HG12  VAL   8          HG12      VAL   8  -1.391  -9.248  -0.656
   56   HG13  VAL   8          HG13      VAL   8  -1.631  -7.521  -0.404
   57   HG21  VAL   8          HG21      VAL   8   1.896  -7.855  -1.468
   58   HG22  VAL   8          HG22      VAL   8   0.384  -7.017  -1.801
   59   HG23  VAL   8          HG23      VAL   8   0.511  -8.754  -2.085
   60    H    ALA   9           HN       ALA   9   1.055  -8.686   2.737
   61    HA   ALA   9           HA       ALA   9  -1.345  -8.322   4.142
   62    HB1  ALA   9           HB1      ALA   9   1.264  -9.424   5.182
   63    HB2  ALA   9           HB2      ALA   9   0.034 -10.344   4.317
   64    HB3  ALA   9           HB3      ALA   9  -0.328  -9.663   5.902
   65    H    GLY  10           HN       GLY  10   1.703  -6.652   4.360
   66    HA2  GLY  10           HA2      GLY  10   1.266  -5.459   6.895
   67    HA3  GLY  10           HA1      GLY  10   2.484  -5.012   5.704
   68    H    LEU  11           HN       LEU  11   0.923  -4.438   3.543
   69    HA   LEU  11           HA       LEU  11  -0.094  -1.825   4.093
   70    HB2  LEU  11           HB2      LEU  11  -0.788  -3.614   1.754
   71    HB3  LEU  11           HB1      LEU  11  -0.969  -1.880   1.831
   72    HG   LEU  11           HG       LEU  11   1.619  -3.411   1.703
   73   HD11  LEU  11          HD11      LEU  11   0.413  -3.394  -0.393
   74   HD12  LEU  11          HD12      LEU  11   1.845  -2.368  -0.493
   75   HD13  LEU  11          HD13      LEU  11   0.248  -1.640  -0.303
   76   HD21  LEU  11          HD21      LEU  11   1.128  -0.443   1.789
   77   HD22  LEU  11          HD22      LEU  11   2.684  -1.225   1.498
   78   HD23  LEU  11          HD23      LEU  11   1.879  -1.413   3.056
   79    H    ALA  12           HN       ALA  12  -1.569  -4.932   3.432
   80    HA   ALA  12           HA       ALA  12  -4.206  -4.206   3.457
   81    HB1  ALA  12           HB1      ALA  12  -4.745  -6.459   3.882
   82    HB2  ALA  12           HB2      ALA  12  -3.086  -6.811   4.397
   83    HB3  ALA  12           HB3      ALA  12  -3.430  -6.353   2.712
   84    H    GLU  13           HN       GLU  13  -2.270  -5.381   6.240
   85    HA   GLU  13           HA       GLU  13  -4.416  -5.318   8.030
   86    HB2  GLU  13           HB2      GLU  13  -2.742  -5.205   9.862
   87    HB3  GLU  13           HB1      GLU  13  -2.400  -6.467   8.687
   88    HG2  GLU  13           HG2      GLU  13  -0.686  -5.163   7.688
   89    HG3  GLU  13           HG1      GLU  13  -1.123  -3.761   8.660
   90    H    ILE  14           HN       ILE  14  -2.365  -2.787   6.977
   91    HA   ILE  14           HA       ILE  14  -3.319  -0.879   8.900
   92    HB   ILE  14           HB       ILE  14  -1.944  -0.386   6.226
   93   HG12  ILE  14          HG12      ILE  14  -0.721  -0.523   8.981
   94   HG13  ILE  14          HG11      ILE  14  -0.780  -1.902   7.890
   95   HG21  ILE  14          HG21      ILE  14  -3.073   1.590   7.215
   96   HG22  ILE  14          HG22      ILE  14  -1.317   1.754   7.284
   97   HG23  ILE  14          HG23      ILE  14  -2.222   1.303   8.733
   98   HD11  ILE  14          HD11      ILE  14   1.351  -0.785   7.827
   99   HD12  ILE  14          HD12      ILE  14   0.562   0.726   7.326
  100   HD13  ILE  14          HD13      ILE  14   0.511  -0.708   6.280
  101    H    VAL  15           HN       VAL  15  -3.973  -1.418   5.436
  102    HA   VAL  15           HA       VAL  15  -6.072   0.314   4.934
  103    HB   VAL  15           HB       VAL  15  -5.843  -2.553   3.962
  104   HG11  VAL  15          HG11      VAL  15  -7.276  -0.183   2.758
  105   HG12  VAL  15          HG12      VAL  15  -8.039  -1.582   3.511
  106   HG13  VAL  15          HG13      VAL  15  -7.126  -1.776   2.022
  107   HG21  VAL  15          HG21      VAL  15  -3.824  -1.273   3.546
  108   HG22  VAL  15          HG22      VAL  15  -4.775  -0.021   2.734
  109   HG23  VAL  15          HG23      VAL  15  -4.692  -1.667   2.071
  110    H    ASN  16           HN       ASN  16  -6.164  -2.910   6.285
  111    HA   ASN  16           HA       ASN  16  -8.869  -3.323   6.777
  112    HB2  ASN  16           HB2      ASN  16  -6.356  -4.321   8.023
  113    HB3  ASN  16           HB1      ASN  16  -7.833  -4.622   8.903
  114   HD21  ASN  16          HD21      ASN  16  -6.217  -5.146   5.856
  115   HD22  ASN  16          HD22      ASN  16  -7.078  -6.570   5.483
  116    H    GLU  17           HN       GLU  17  -6.517  -1.617   8.798
  117    HA   GLU  17           HA       GLU  17  -8.297  -1.195  10.950
  118    HB2  GLU  17           HB2      GLU  17  -5.770   0.301  10.221
  119    HB3  GLU  17           HB1      GLU  17  -6.603   0.418  11.763
  120    HG2  GLU  17           HG2      GLU  17  -6.178  -1.959  12.164
  121    HG3  GLU  17           HG1      GLU  17  -5.339  -2.059  10.621
  122    H    ILE  18           HN       ILE  18  -7.211   0.956   8.319
  123    HA   ILE  18           HA       ILE  18  -8.933   3.081   9.356
  124    HB   ILE  18           HB       ILE  18  -7.558   3.223   6.728
  125   HG12  ILE  18          HG12      ILE  18  -6.128   3.895   9.308
  126   HG13  ILE  18          HG11      ILE  18  -5.873   2.349   8.464
  127   HG21  ILE  18          HG21      ILE  18  -8.995   5.076   7.434
  128   HG22  ILE  18          HG22      ILE  18  -7.303   5.589   7.427
  129   HG23  ILE  18          HG23      ILE  18  -8.096   5.211   8.954
  130   HD11  ILE  18          HD11      ILE  18  -5.365   5.129   7.450
  131   HD12  ILE  18          HD12      ILE  18  -5.102   3.659   6.541
  132   HD13  ILE  18          HD13      ILE  18  -4.140   3.977   7.992
  133    H    ALA  19           HN       ALA  19  -8.621   1.443   6.121
  134    HA   ALA  19           HA       ALA  19 -11.227   2.455   5.337
  135    HB1  ALA  19           HB1      ALA  19  -9.433   0.511   3.872
  136    HB2  ALA  19           HB2      ALA  19  -9.460   2.259   3.628
  137    HB3  ALA  19           HB3      ALA  19 -10.868   1.282   3.213
  138    H    GLY  20           HN       GLY  20  -9.864  -0.760   5.831
  139    HA2  GLY  20           HA2      GLY  20 -11.181  -2.369   7.081
  140    HA3  GLY  20           HA1      GLY  20 -12.610  -1.678   6.330
  141    H    ILE  21           HN       ILE  21  -9.932  -2.084   4.147
  142    HA   ILE  21           HA       ILE  21 -11.346  -4.156   2.782
  143    HB   ILE  21           HB       ILE  21  -8.594  -3.000   2.302
  144   HG12  ILE  21          HG12      ILE  21 -10.300  -1.376   1.960
  145   HG13  ILE  21          HG11      ILE  21  -9.802  -1.954   0.371
  146   HG21  ILE  21          HG21      ILE  21  -8.887  -5.337   1.498
  147   HG22  ILE  21          HG22      ILE  21  -8.575  -4.192   0.227
  148   HG23  ILE  21          HG23      ILE  21 -10.230  -4.797   0.490
  149   HD11  ILE  21          HD11      ILE  21 -12.216  -1.792   0.472
  150   HD12  ILE  21          HD12      ILE  21 -12.203  -2.834   1.913
  151   HD13  ILE  21          HD13      ILE  21 -11.695  -3.490   0.363
  152    HA   PRO  22           HA       PRO  22  -9.584  -7.148   5.586
  153    HB2  PRO  22           HB2      PRO  22 -10.426  -9.121   3.559
  154    HB3  PRO  22           HB1      PRO  22 -10.888  -8.991   5.259
  155    HG2  PRO  22           HG2      PRO  22 -12.565  -8.383   3.295
  156    HG3  PRO  22           HG1      PRO  22 -12.566  -7.483   4.824
  157    HD2  PRO  22           HD2      PRO  22 -11.454  -6.706   2.163
  158    HD3  PRO  22           HD1      PRO  22 -12.268  -5.705   3.384
  159    H    VAL  23           HN       VAL  23  -8.022  -8.740   5.755
  160    HA   VAL  23           HA       VAL  23  -5.782  -7.859   4.445
  161    HB   VAL  23           HB       VAL  23  -4.497  -9.767   5.531
  162   HG11  VAL  23          HG11      VAL  23  -6.203  -8.023   7.282
  163   HG12  VAL  23          HG12      VAL  23  -4.658  -7.587   6.554
  164   HG13  VAL  23          HG13      VAL  23  -4.730  -8.852   7.784
  165   HG21  VAL  23          HG21      VAL  23  -5.681 -11.030   7.289
  166   HG22  VAL  23          HG22      VAL  23  -6.284 -11.400   5.671
  167   HG23  VAL  23          HG23      VAL  23  -7.203 -10.335   6.726
  168    H    GLU  24           HN       GLU  24  -7.895 -10.470   3.638
  169    HA   GLU  24           HA       GLU  24  -5.929 -11.467   1.730
  170    HB2  GLU  24           HB2      GLU  24  -7.443 -13.331   1.304
  171    HB3  GLU  24           HB1      GLU  24  -6.983 -13.201   2.992
  172    HG2  GLU  24           HG2      GLU  24  -9.112 -12.424   3.614
  173    HG3  GLU  24           HG1      GLU  24  -9.564 -12.111   1.937
  174    H    ASP  25           HN       ASP  25  -8.386  -9.196   1.754
  175    HA   ASP  25           HA       ASP  25  -9.388  -9.839  -0.868
  176    HB2  ASP  25           HB2      ASP  25 -10.681  -8.627   1.026
  177    HB3  ASP  25           HB1      ASP  25  -9.722  -7.214   0.598
  178    H    VAL  26           HN       VAL  26  -7.181  -7.654   0.726
  179    HA   VAL  26           HA       VAL  26  -6.096  -6.320  -1.509
  180    HB   VAL  26           HB       VAL  26  -4.878  -7.052   1.189
  181   HG11  VAL  26          HG11      VAL  26  -3.994  -4.967  -0.795
  182   HG12  VAL  26          HG12      VAL  26  -3.141  -6.456  -0.376
  183   HG13  VAL  26          HG13      VAL  26  -3.343  -5.186   0.830
  184   HG21  VAL  26          HG21      VAL  26  -5.455  -4.783   1.882
  185   HG22  VAL  26          HG22      VAL  26  -6.885  -5.726   1.465
  186   HG23  VAL  26          HG23      VAL  26  -6.264  -4.518   0.340
  187    H    LYS  27           HN       LYS  27  -5.568  -7.791  -3.083
  188    HA   LYS  27           HA       LYS  27  -3.683  -9.920  -2.359
  189    HB2  LYS  27           HB2      LYS  27  -5.469  -9.627  -4.741
  190    HB3  LYS  27           HB1      LYS  27  -4.268 -10.924  -4.607
  191    HG2  LYS  27           HG2      LYS  27  -5.463 -11.740  -2.611
  192    HG3  LYS  27           HG1      LYS  27  -6.625 -10.424  -2.781
  193    HD2  LYS  27           HD2      LYS  27  -7.266 -11.305  -4.982
  194    HD3  LYS  27           HD1      LYS  27  -6.123 -12.630  -4.773
  195    HE2  LYS  27           HE2      LYS  27  -7.362 -13.412  -2.826
  196    HE3  LYS  27           HE1      LYS  27  -8.475 -12.056  -2.973
  197    HZ1  LYS  27           HZ1      LYS  27  -9.385 -14.091  -3.913
  198    HZ2  LYS  27           HZ2      LYS  27  -8.118 -14.176  -5.047
  199    HZ3  LYS  27           HZ3      LYS  27  -9.224 -12.912  -5.096
  200    H    LEU  28           HN       LEU  28  -3.803  -8.770  -5.588
  201    HA   LEU  28           HA       LEU  28  -1.773  -6.856  -4.940
  202    HB2  LEU  28           HB2      LEU  28   0.085  -7.651  -6.169
  203    HB3  LEU  28           HB1      LEU  28  -0.465  -8.972  -5.183
  204    HG   LEU  28           HG       LEU  28  -1.633  -9.720  -7.438
  205   HD11  LEU  28          HD11      LEU  28  -0.248  -9.113  -9.391
  206   HD12  LEU  28          HD12      LEU  28   0.663  -7.993  -8.362
  207   HD13  LEU  28          HD13      LEU  28  -1.036  -7.705  -8.668
  208   HD21  LEU  28          HD21      LEU  28   0.050 -10.988  -6.196
  209   HD22  LEU  28          HD22      LEU  28   1.326  -9.987  -6.896
  210   HD23  LEU  28          HD23      LEU  28   0.367 -11.044  -7.930
  211    H    ASP  29           HN       ASP  29  -3.300  -8.289  -7.810
  212    HA   ASP  29           HA       ASP  29  -3.055  -5.683  -9.061
  213    HB2  ASP  29           HB2      ASP  29  -4.047  -6.694 -11.060
  214    HB3  ASP  29           HB1      ASP  29  -2.655  -7.577 -10.478
  215    H    LYS  30           HN       LYS  30  -4.585  -5.995  -6.754
  216    HA   LYS  30           HA       LYS  30  -7.310  -5.473  -7.623
  217    HB2  LYS  30           HB2      LYS  30  -6.268  -5.581  -4.792
  218    HB3  LYS  30           HB1      LYS  30  -7.901  -5.604  -5.323
  219    HG2  LYS  30           HG2      LYS  30  -5.974  -7.846  -5.800
  220    HG3  LYS  30           HG1      LYS  30  -7.168  -7.791  -4.496
  221    HD2  LYS  30           HD2      LYS  30  -8.617  -7.286  -6.809
  222    HD3  LYS  30           HD1      LYS  30  -7.454  -8.524  -7.283
  223    HE2  LYS  30           HE2      LYS  30  -9.519  -9.538  -6.465
  224    HE3  LYS  30           HE1      LYS  30  -8.162  -9.922  -5.404
  225    HZ1  LYS  30           HZ1      LYS  30 -10.119  -7.744  -4.908
  226    HZ2  LYS  30           HZ2      LYS  30  -8.934  -8.284  -3.821
  227    HZ3  LYS  30           HZ3      LYS  30 -10.228  -9.275  -4.205
  228    H    SER  31           HN       SER  31  -6.797  -3.495  -8.492
  229    HA   SER  31           HA       SER  31  -5.546  -1.295  -7.478
  230    HB2  SER  31           HB2      SER  31  -8.324  -1.192  -8.667
  231    HB3  SER  31           HB1      SER  31  -7.043   0.014  -8.805
  232    HG   SER  31           HG       SER  31  -7.528  -1.648 -10.577
  233    H    PHE  32           HN       PHE  32  -5.605  -0.812  -5.339
  234    HA   PHE  32           HA       PHE  32  -7.392  -1.236  -3.404
  235    HB2  PHE  32           HB2      PHE  32  -5.516   0.994  -3.856
  236    HB3  PHE  32           HB1      PHE  32  -6.615   1.117  -2.481
  237    HD1  PHE  32           HD1      PHE  32  -6.540  -0.754  -0.738
  238    HD2  PHE  32           HD2      PHE  32  -3.517  -0.266  -3.749
  239    HE1  PHE  32           HE1      PHE  32  -4.999  -2.093   0.593
  240    HE2  PHE  32           HE2      PHE  32  -1.995  -1.564  -2.438
  241    HZ   PHE  32           HZ       PHE  32  -2.698  -2.515  -0.253
  242    H    THR  33           HN       THR  33  -7.407   2.036  -5.007
  243    HA   THR  33           HA       THR  33  -9.927   2.786  -4.138
  244    HB   THR  33           HB       THR  33  -9.424   4.508  -6.008
  245    HG1  THR  33           HG1      THR  33  -7.885   3.454  -7.161
  246   HG21  THR  33          HG21      THR  33  -7.563   4.105  -3.660
  247   HG22  THR  33          HG22      THR  33  -9.113   4.948  -3.609
  248   HG23  THR  33          HG23      THR  33  -7.772   5.611  -4.542
  249    H    ASP  34           HN       ASP  34 -10.348   0.273  -5.482
  250    HA   ASP  34           HA       ASP  34 -12.464   0.985  -7.277
  251    HB2  ASP  34           HB2      ASP  34 -10.490   1.231  -8.825
  252    HB3  ASP  34           HB1      ASP  34 -10.140  -0.473  -8.579
  253    H    ASP  35           HN       ASP  35 -10.183  -1.668  -6.948
  254    HA   ASP  35           HA       ASP  35 -12.077  -3.793  -7.235
  255    HB2  ASP  35           HB2      ASP  35  -9.651  -3.919  -7.737
  256    HB3  ASP  35           HB1      ASP  35  -9.322  -3.921  -6.021
  257    H    LEU  36           HN       LEU  36 -10.111  -2.729  -4.648
  258    HA   LEU  36           HA       LEU  36 -11.216  -4.465  -2.717
  259    HB2  LEU  36           HB2      LEU  36  -9.495  -2.031  -2.459
  260    HB3  LEU  36           HB1      LEU  36  -9.763  -3.226  -1.211
  261    HG   LEU  36           HG       LEU  36  -8.342  -3.623  -3.844
  262   HD11  LEU  36          HD11      LEU  36  -7.368  -3.798  -1.019
  263   HD12  LEU  36          HD12      LEU  36  -7.024  -2.500  -2.164
  264   HD13  LEU  36          HD13      LEU  36  -6.425  -4.131  -2.470
  265   HD21  LEU  36          HD21      LEU  36  -7.918  -5.887  -3.112
  266   HD22  LEU  36          HD22      LEU  36  -9.641  -5.577  -3.327
  267   HD23  LEU  36          HD23      LEU  36  -8.948  -5.627  -1.705
  268    H    ASP  37           HN       ASP  37 -10.899  -1.091  -2.502
  269    HA   ASP  37           HA       ASP  37 -12.765   0.505  -2.703
  270    HB2  ASP  37           HB2      ASP  37 -14.365  -1.530  -1.714
  271    HB3  ASP  37           HB1      ASP  37 -14.063  -0.582  -0.288
  272    H    VAL  38           HN       VAL  38 -10.543   1.056  -1.970
  273    HA   VAL  38           HA       VAL  38 -10.421   1.320   0.916
  274    HB   VAL  38           HB       VAL  38  -8.392   0.643  -0.551
  275   HG11  VAL  38          HG11      VAL  38  -7.025   2.472  -1.419
  276   HG12  VAL  38          HG12      VAL  38  -8.348   3.591  -1.085
  277   HG13  VAL  38          HG13      VAL  38  -8.562   2.296  -2.265
  278   HG21  VAL  38          HG21      VAL  38  -8.146   1.160   1.800
  279   HG22  VAL  38          HG22      VAL  38  -8.083   2.885   1.440
  280   HG23  VAL  38          HG23      VAL  38  -6.787   1.821   0.891
  281    H    ASP  39           HN       ASP  39 -10.110   3.526   1.830
  282    HA   ASP  39           HA       ASP  39 -11.468   5.447   0.192
  283    HB2  ASP  39           HB2      ASP  39 -12.288   4.814   2.541
  284    HB3  ASP  39           HB1      ASP  39 -10.700   5.359   3.083
  285    H    SER  40           HN       SER  40  -9.757   6.096  -1.014
  286    HA   SER  40           HA       SER  40  -7.141   5.922  -0.575
  287    HB2  SER  40           HB2      SER  40  -6.960   7.826  -2.229
  288    HB3  SER  40           HB1      SER  40  -7.948   6.436  -2.705
  289    H    LEU  41           HN       LEU  41  -8.821   7.694   1.569
  290    HA   LEU  41           HA       LEU  41  -6.875   9.806   1.971
  291    HB2  LEU  41           HB2      LEU  41  -9.279   9.052   3.627
  292    HB3  LEU  41           HB1      LEU  41  -8.344  10.531   3.743
  293    HG   LEU  41           HG       LEU  41 -10.000   9.681   1.404
  294   HD11  LEU  41          HD11      LEU  41 -11.365  10.359   3.339
  295   HD12  LEU  41          HD12      LEU  41 -11.457  11.595   2.084
  296   HD13  LEU  41          HD13      LEU  41 -10.433  11.847   3.497
  297   HD21  LEU  41          HD21      LEU  41  -9.581  11.959   0.542
  298   HD22  LEU  41          HD22      LEU  41  -8.098  11.014   0.698
  299   HD23  LEU  41          HD23      LEU  41  -8.487  12.251   1.895
  300    H    SER  42           HN       SER  42  -7.896   6.628   3.144
  301    HA   SER  42           HA       SER  42  -6.430   6.594   5.533
  302    HB2  SER  42           HB2      SER  42  -6.633   4.123   5.243
  303    HB3  SER  42           HB1      SER  42  -8.209   4.958   5.226
  304    HG   SER  42           HG       SER  42  -8.108   4.729   2.956
  305    H    MET  43           HN       MET  43  -5.817   6.278   2.228
  306    HA   MET  43           HA       MET  43  -3.752   4.450   2.187
  307    HB2  MET  43           HB2      MET  43  -5.082   5.246   0.249
  308    HB3  MET  43           HB1      MET  43  -4.173   6.754   0.314
  309    HG2  MET  43           HG2      MET  43  -3.330   5.228  -1.323
  310    HG3  MET  43           HG1      MET  43  -2.120   5.570  -0.068
  311    HE1  MET  43           HE1      MET  43  -4.604   2.998  -1.594
  312    HE2  MET  43           HE2      MET  43  -5.285   3.236   0.013
  313    HE3  MET  43           HE3      MET  43  -4.572   1.681  -0.421
  314    H    VAL  44           HN       VAL  44  -3.867   7.864   2.742
  315    HA   VAL  44           HA       VAL  44  -1.141   8.378   2.541
  316    HB   VAL  44           HB       VAL  44  -3.223   9.769   4.251
  317   HG11  VAL  44          HG11      VAL  44  -0.555  10.771   3.240
  318   HG12  VAL  44          HG12      VAL  44  -0.931  10.354   4.912
  319   HG13  VAL  44          HG13      VAL  44  -1.746  11.712   4.141
  320   HG21  VAL  44          HG21      VAL  44  -3.829   9.629   1.890
  321   HG22  VAL  44          HG22      VAL  44  -2.280  10.308   1.441
  322   HG23  VAL  44          HG23      VAL  44  -3.441  11.288   2.345
  323    H    GLU  45           HN       GLU  45  -3.178   7.485   5.377
  324    HA   GLU  45           HA       GLU  45  -0.971   7.435   7.147
  325    HB2  GLU  45           HB2      GLU  45  -3.741   6.264   7.363
  326    HB3  GLU  45           HB1      GLU  45  -2.567   6.314   8.675
  327    HG2  GLU  45           HG2      GLU  45  -2.564   8.767   8.538
  328    HG3  GLU  45           HG1      GLU  45  -3.793   8.677   7.283
  329    H    VAL  46           HN       VAL  46  -2.654   5.062   5.141
  330    HA   VAL  46           HA       VAL  46  -1.441   2.748   6.082
  331    HB   VAL  46           HB       VAL  46  -2.326   3.344   3.210
  332   HG11  VAL  46          HG11      VAL  46  -1.773   0.692   4.519
  333   HG12  VAL  46          HG12      VAL  46  -0.802   1.424   3.230
  334   HG13  VAL  46          HG13      VAL  46  -2.473   0.919   2.924
  335   HG21  VAL  46          HG21      VAL  46  -4.324   2.030   3.795
  336   HG22  VAL  46          HG22      VAL  46  -4.173   3.496   4.770
  337   HG23  VAL  46          HG23      VAL  46  -3.748   1.929   5.460
  338    H    VAL  47           HN       VAL  47  -0.400   5.134   3.705
  339    HA   VAL  47           HA       VAL  47   1.948   3.876   2.774
  340    HB   VAL  47           HB       VAL  47   0.762   6.661   2.662
  341   HG11  VAL  47          HG11      VAL  47   3.185   6.921   2.844
  342   HG12  VAL  47          HG12      VAL  47   2.594   7.339   1.236
  343   HG13  VAL  47          HG13      VAL  47   3.399   5.793   1.508
  344   HG21  VAL  47          HG21      VAL  47   0.712   6.208   0.268
  345   HG22  VAL  47          HG22      VAL  47  -0.173   4.990   1.190
  346   HG23  VAL  47          HG23      VAL  47   1.429   4.621   0.556
  347    H    VAL  48           HN       VAL  48   1.513   6.607   4.979
  348    HA   VAL  48           HA       VAL  48   4.165   6.815   5.718
  349    HB   VAL  48           HB       VAL  48   1.669   7.366   7.346
  350   HG11  VAL  48          HG11      VAL  48   4.509   8.259   7.874
  351   HG12  VAL  48          HG12      VAL  48   3.596   7.108   8.852
  352   HG13  VAL  48          HG13      VAL  48   3.080   8.792   8.758
  353   HG21  VAL  48          HG21      VAL  48   2.135   9.681   6.668
  354   HG22  VAL  48          HG22      VAL  48   1.884   8.594   5.288
  355   HG23  VAL  48          HG23      VAL  48   3.513   9.081   5.734
  356    H    ALA  49           HN       ALA  49   1.708   4.688   6.980
  357    HA   ALA  49           HA       ALA  49   3.366   3.649   9.091
  358    HB1  ALA  49           HB1      ALA  49   0.902   3.539   9.214
  359    HB2  ALA  49           HB2      ALA  49   1.626   1.936   9.354
  360    HB3  ALA  49           HB3      ALA  49   0.888   2.444   7.835
  361    H    ALA  50           HN       ALA  50   2.541   2.586   5.831
  362    HA   ALA  50           HA       ALA  50   4.011   0.194   5.855
  363    HB1  ALA  50           HB1      ALA  50   3.330   1.962   3.510
  364    HB2  ALA  50           HB2      ALA  50   2.307   0.686   4.178
  365    HB3  ALA  50           HB3      ALA  50   3.852   0.277   3.432
  366    H    GLU  51           HN       GLU  51   4.841   3.476   4.880
  367    HA   GLU  51           HA       GLU  51   7.349   3.067   3.857
  368    HB2  GLU  51           HB2      GLU  51   6.371   5.369   5.498
  369    HB3  GLU  51           HB1      GLU  51   7.878   5.365   4.625
  370    HG2  GLU  51           HG2      GLU  51   6.685   5.174   2.522
  371    HG3  GLU  51           HG1      GLU  51   5.141   5.187   3.371
  372    H    GLU  52           HN       GLU  52   6.244   3.473   7.106
  373    HA   GLU  52           HA       GLU  52   8.925   3.592   8.124
  374    HB2  GLU  52           HB2      GLU  52   6.268   3.744   9.463
  375    HB3  GLU  52           HB1      GLU  52   7.750   3.811  10.392
  376    HG2  GLU  52           HG2      GLU  52   8.415   5.708   8.792
  377    HG3  GLU  52           HG1      GLU  52   6.721   5.712   8.320
  378    H    ARG  53           HN       ARG  53   6.531   1.157   7.828
  379    HA   ARG  53           HA       ARG  53   7.978  -0.620   9.606
  380    HB2  ARG  53           HB2      ARG  53   6.271  -2.241   9.133
  381    HB3  ARG  53           HB1      ARG  53   5.516  -0.690   9.499
  382    HG2  ARG  53           HG2      ARG  53   5.209  -0.319   7.102
  383    HG3  ARG  53           HG1      ARG  53   5.916  -1.902   6.784
  384    HD2  ARG  53           HD2      ARG  53   3.426  -1.356   8.371
  385    HD3  ARG  53           HD1      ARG  53   3.530  -1.931   6.702
  386    HE   ARG  53           HE       ARG  53   4.850  -3.849   7.833
  387   HH11  ARG  53          HH11      ARG  53   2.262  -2.136   9.499
  388   HH12  ARG  53          HH12      ARG  53   1.405  -3.550   9.970
  389   HH21  ARG  53          HH21      ARG  53   3.703  -5.834   8.498
  390   HH22  ARG  53          HH22      ARG  53   2.231  -5.700   9.361
  391    H    PHE  54           HN       PHE  54   7.639  -0.050   6.178
  392    HA   PHE  54           HA       PHE  54   9.213  -2.413   5.562
  393    HB2  PHE  54           HB2      PHE  54   7.797  -0.469   3.734
  394    HB3  PHE  54           HB1      PHE  54   8.738  -1.848   3.177
  395    HD1  PHE  54           HD1      PHE  54   7.998  -4.071   4.716
  396    HD2  PHE  54           HD2      PHE  54   5.554  -0.811   3.513
  397    HE1  PHE  54           HE1      PHE  54   6.014  -5.508   4.867
  398    HE2  PHE  54           HE2      PHE  54   3.564  -2.246   3.662
  399    HZ   PHE  54           HZ       PHE  54   3.789  -4.570   4.472
  400    H    ASP  55           HN       ASP  55   9.703   0.770   6.246
  401    HA   ASP  55           HA       ASP  55  11.490   2.143   6.286
  402    HB2  ASP  55           HB2      ASP  55  12.554   0.024   7.212
  403    HB3  ASP  55           HB1      ASP  55  13.175  -0.280   5.595
  404    H    VAL  56           HN       VAL  56  10.259   1.090   3.633
  405    HA   VAL  56           HA       VAL  56  12.372   1.585   1.733
  406    HB   VAL  56           HB       VAL  56  10.850  -0.245   1.297
  407   HG11  VAL  56          HG11      VAL  56   8.704   1.834   1.371
  408   HG12  VAL  56          HG12      VAL  56   8.868   0.399   2.393
  409   HG13  VAL  56          HG13      VAL  56   8.475   0.242   0.674
  410   HG21  VAL  56          HG21      VAL  56  10.121   0.294  -0.967
  411   HG22  VAL  56          HG22      VAL  56  11.754   0.842  -0.619
  412   HG23  VAL  56          HG23      VAL  56  10.422   2.008  -0.649
  413    H    LYS  57           HN       LYS  57   9.489   3.063   2.830
  414    HA   LYS  57           HA       LYS  57   8.490   5.039   2.527
  415    HB2  LYS  57           HB2      LYS  57  11.317   5.810   2.368
  416    HB3  LYS  57           HB1      LYS  57  10.163   6.987   1.755
  417    HG2  LYS  57           HG2      LYS  57  10.443   7.543   4.010
  418    HG3  LYS  57           HG1      LYS  57   8.914   6.650   3.827
  419    HD2  LYS  57           HD2      LYS  57   9.962   4.634   4.665
  420    HD3  LYS  57           HD1      LYS  57  11.510   5.471   4.816
  421    HE2  LYS  57           HE2      LYS  57   8.970   6.129   6.311
  422    HE3  LYS  57           HE1      LYS  57  10.382   5.318   6.979
  423    HZ1  LYS  57           HZ1      LYS  57  10.406   7.610   7.597
  424    HZ2  LYS  57           HZ2      LYS  57  10.262   8.130   5.996
  425    HZ3  LYS  57           HZ3      LYS  57  11.669   7.333   6.510
  426    H    ILE  58           HN       ILE  58   7.060   4.936   1.107
  427    HA   ILE  58           HA       ILE  58   7.633   5.941  -1.611
  428    HB   ILE  58           HB       ILE  58   5.017   4.685  -0.808
  429   HG12  ILE  58          HG12      ILE  58   5.792   2.532  -2.015
  430   HG13  ILE  58          HG11      ILE  58   7.424   3.094  -1.657
  431   HG21  ILE  58          HG21      ILE  58   6.277   5.000  -3.508
  432   HG22  ILE  58          HG22      ILE  58   4.942   5.924  -2.816
  433   HG23  ILE  58          HG23      ILE  58   4.721   4.246  -3.191
  434   HD11  ILE  58          HD11      ILE  58   6.889   3.121   0.728
  435   HD12  ILE  58          HD12      ILE  58   6.640   1.519   0.032
  436   HD13  ILE  58          HD13      ILE  58   5.259   2.557   0.370
  437    HA   PRO  59           HA       PRO  59   5.431   9.163   0.793
  438    HB2  PRO  59           HB2      PRO  59   5.592  10.563  -1.820
  439    HB3  PRO  59           HB1      PRO  59   6.099  11.127  -0.224
  440    HG2  PRO  59           HG2      PRO  59   7.880  10.420  -2.112
  441    HG3  PRO  59           HG1      PRO  59   8.174  10.146  -0.387
  442    HD2  PRO  59           HD2      PRO  59   7.404   8.199  -2.511
  443    HD3  PRO  59           HD1      PRO  59   8.433   7.974  -1.082
  444    H    ASP  60           HN       ASP  60   3.130   9.425   0.796
  445    HA   ASP  60           HA       ASP  60   1.506   7.935  -0.790
  446    HB2  ASP  60           HB2      ASP  60  -0.425   9.394  -0.178
  447    HB3  ASP  60           HB1      ASP  60   0.573   9.046   1.201
  448    H    ASP  61           HN       ASP  61   2.762  11.054  -1.669
  449    HA   ASP  61           HA       ASP  61   1.107  11.350  -3.999
  450    HB2  ASP  61           HB2      ASP  61   2.179  13.310  -2.939
  451    HB3  ASP  61           HB1      ASP  61   3.759  12.684  -3.397
  452    H    ASP  62           HN       ASP  62   3.778   9.488  -3.385
  453    HA   ASP  62           HA       ASP  62   4.484   9.180  -6.266
  454    HB2  ASP  62           HB2      ASP  62   6.389   9.160  -4.550
  455    HB3  ASP  62           HB1      ASP  62   5.719   7.636  -3.962
  456    H    VAL  63           HN       VAL  63   3.062   7.675  -3.611
  457    HA   VAL  63           HA       VAL  63   2.600   5.122  -4.558
  458    HB   VAL  63           HB       VAL  63   2.106   6.423  -2.190
  459   HG11  VAL  63          HG11      VAL  63  -0.583   5.578  -3.233
  460   HG12  VAL  63          HG12      VAL  63  -0.078   7.213  -2.811
  461   HG13  VAL  63          HG13      VAL  63  -0.214   5.983  -1.557
  462   HG21  VAL  63          HG21      VAL  63   1.273   3.675  -3.034
  463   HG22  VAL  63          HG22      VAL  63   1.433   4.225  -1.365
  464   HG23  VAL  63          HG23      VAL  63   2.847   4.172  -2.418
  465    H    LYS  64           HN       LYS  64   1.122   7.982  -5.554
  466    HA   LYS  64           HA       LYS  64  -1.287   7.063  -6.486
  467    HB2  LYS  64           HB2      LYS  64  -1.258   8.870  -8.203
  468    HB3  LYS  64           HB1      LYS  64  -0.692   9.490  -6.666
  469    HG2  LYS  64           HG2      LYS  64   1.600   9.268  -7.421
  470    HG3  LYS  64           HG1      LYS  64   1.018   8.698  -8.981
  471    HD2  LYS  64           HD2      LYS  64   1.591  11.055  -9.034
  472    HD3  LYS  64           HD1      LYS  64  -0.144  10.810  -9.329
  473    HE2  LYS  64           HE2      LYS  64  -0.687  11.581  -7.143
  474    HE3  LYS  64           HE1      LYS  64   0.988  11.479  -6.614
  475    HZ1  LYS  64           HZ1      LYS  64   0.581  13.720  -6.957
  476    HZ2  LYS  64           HZ2      LYS  64  -0.229  13.479  -8.437
  477    HZ3  LYS  64           HZ3      LYS  64   1.444  13.236  -8.332
  478    H    ASN  65           HN       ASN  65   1.898   6.572  -7.661
  479    HA   ASN  65           HA       ASN  65   1.130   5.570 -10.257
  480    HB2  ASN  65           HB2      ASN  65   3.794   5.451  -8.811
  481    HB3  ASN  65           HB1      ASN  65   3.540   4.968 -10.479
  482   HD21  ASN  65          HD21      ASN  65   3.912   7.554  -8.292
  483   HD22  ASN  65          HD22      ASN  65   3.972   8.840  -9.445
  484    H    LEU  66           HN       LEU  66   0.934   4.426  -7.168
  485    HA   LEU  66           HA       LEU  66   1.395   1.634  -7.978
  486    HB2  LEU  66           HB2      LEU  66   1.350   2.748  -5.206
  487    HB3  LEU  66           HB1      LEU  66   1.771   1.138  -5.783
  488    HG   LEU  66           HG       LEU  66   3.347   3.657  -6.325
  489   HD11  LEU  66          HD11      LEU  66   4.963   2.810  -4.664
  490   HD12  LEU  66          HD12      LEU  66   3.849   1.494  -4.285
  491   HD13  LEU  66          HD13      LEU  66   3.387   3.163  -3.962
  492   HD21  LEU  66          HD21      LEU  66   5.166   2.153  -6.964
  493   HD22  LEU  66          HD22      LEU  66   3.733   1.930  -7.975
  494   HD23  LEU  66          HD23      LEU  66   4.100   0.775  -6.695
  495    H    LYS  67           HN       LYS  67  -0.964   3.108  -8.459
  496    HA   LYS  67           HA       LYS  67  -3.040   2.991  -6.657
  497    HB2  LYS  67           HB2      LYS  67  -4.590   2.641  -8.570
  498    HB3  LYS  67           HB1      LYS  67  -3.427   3.942  -8.802
  499    HG2  LYS  67           HG2      LYS  67  -2.215   2.782 -10.347
  500    HG3  LYS  67           HG1      LYS  67  -2.804   1.211  -9.816
  501    HD2  LYS  67           HD2      LYS  67  -3.776   1.869 -12.007
  502    HD3  LYS  67           HD1      LYS  67  -5.028   1.777 -10.773
  503    HE2  LYS  67           HE2      LYS  67  -5.386   3.744 -12.123
  504    HE3  LYS  67           HE1      LYS  67  -4.894   4.241 -10.510
  505    HZ1  LYS  67           HZ1      LYS  67  -2.632   4.609 -11.386
  506    HZ2  LYS  67           HZ2      LYS  67  -3.788   5.529 -12.199
  507    HZ3  LYS  67           HZ3      LYS  67  -3.152   4.163 -12.926
  508    H    THR  68           HN       THR  68  -1.470   0.179  -7.908
  509    HA   THR  68           HA       THR  68  -3.641  -1.376  -6.804
  510    HB   THR  68           HB       THR  68  -2.680  -3.319  -7.920
  511    HG1  THR  68           HG1      THR  68  -1.390  -1.685  -9.810
  512   HG21  THR  68          HG21      THR  68  -3.588  -2.811 -10.162
  513   HG22  THR  68          HG22      THR  68  -3.589  -1.099  -9.729
  514   HG23  THR  68          HG23      THR  68  -4.616  -2.232  -8.849
  515    H    VAL  69           HN       VAL  69  -3.058  -3.306  -5.674
  516    HA   VAL  69           HA       VAL  69  -1.312  -2.799  -3.544
  517    HB   VAL  69           HB       VAL  69  -2.190  -5.480  -4.555
  518   HG11  VAL  69          HG11      VAL  69  -1.476  -4.456  -1.838
  519   HG12  VAL  69          HG12      VAL  69  -0.432  -5.352  -2.926
  520   HG13  VAL  69          HG13      VAL  69  -1.893  -6.145  -2.242
  521   HG21  VAL  69          HG21      VAL  69  -3.661  -3.626  -2.680
  522   HG22  VAL  69          HG22      VAL  69  -4.113  -5.292  -3.033
  523   HG23  VAL  69          HG23      VAL  69  -4.161  -4.077  -4.311
  524    H    GLY  70           HN       GLY  70  -0.966  -4.835  -6.388
  525    HA2  GLY  70           HA2      GLY  70   1.601  -5.850  -5.704
  526    HA3  GLY  70           HA1      GLY  70   0.772  -6.018  -7.247
  527    H    ASP  71           HN       ASP  71   0.501  -3.025  -7.343
  528    HA   ASP  71           HA       ASP  71   2.904  -2.466  -8.789
  529    HB2  ASP  71           HB2      ASP  71   0.475  -1.335  -8.809
  530    HB3  ASP  71           HB1      ASP  71   1.263  -0.326  -7.607
  531    H    ALA  72           HN       ALA  72   1.489  -1.438  -5.727
  532    HA   ALA  72           HA       ALA  72   3.636   0.045  -4.613
  533    HB1  ALA  72           HB1      ALA  72   1.616  -1.715  -3.250
  534    HB2  ALA  72           HB2      ALA  72   1.388  -0.017  -3.674
  535    HB3  ALA  72           HB3      ALA  72   2.609  -0.476  -2.486
  536    H    THR  73           HN       THR  73   2.714  -3.309  -4.228
  537    HA   THR  73           HA       THR  73   4.827  -4.117  -2.627
  538    HB   THR  73           HB       THR  73   3.141  -5.753  -4.541
  539    HG1  THR  73           HG1      THR  73   1.802  -4.764  -3.098
  540   HG21  THR  73          HG21      THR  73   5.114  -7.005  -3.742
  541   HG22  THR  73          HG22      THR  73   3.619  -7.635  -3.046
  542   HG23  THR  73          HG23      THR  73   4.679  -6.608  -2.079
  543    H    LYS  74           HN       LYS  74   4.783  -3.514  -6.023
  544    HA   LYS  74           HA       LYS  74   7.011  -5.167  -6.723
  545    HB2  LYS  74           HB2      LYS  74   5.117  -4.021  -8.179
  546    HB3  LYS  74           HB1      LYS  74   6.245  -2.679  -8.199
  547    HG2  LYS  74           HG2      LYS  74   6.614  -3.890 -10.179
  548    HG3  LYS  74           HG1      LYS  74   7.955  -4.300  -9.104
  549    HD2  LYS  74           HD2      LYS  74   7.054  -6.295 -10.237
  550    HD3  LYS  74           HD1      LYS  74   6.845  -6.380  -8.486
  551    HE2  LYS  74           HE2      LYS  74   4.819  -7.134  -9.667
  552    HE3  LYS  74           HE1      LYS  74   4.511  -5.696  -8.703
  553    HZ1  LYS  74           HZ1      LYS  74   4.745  -4.371 -10.798
  554    HZ2  LYS  74           HZ2      LYS  74   3.454  -5.410 -10.797
  555    HZ3  LYS  74           HZ3      LYS  74   4.835  -5.814 -11.672
  556    H    TYR  75           HN       TYR  75   6.442  -1.684  -6.202
  557    HA   TYR  75           HA       TYR  75   9.083  -0.844  -6.517
  558    HB2  TYR  75           HB2      TYR  75   7.177   0.608  -6.855
  559    HB3  TYR  75           HB1      TYR  75   6.659   0.373  -5.193
  560    HD1  TYR  75           HD1      TYR  75   9.808   1.436  -6.963
  561    HD2  TYR  75           HD2      TYR  75   7.020   2.152  -3.826
  562    HE1  TYR  75           HE1      TYR  75  11.052   3.402  -6.320
  563    HE2  TYR  75           HE2      TYR  75   8.274   4.130  -3.163
  564    HH   TYR  75           HH       TYR  75  10.836   5.421  -5.132
  565    H    ILE  76           HN       ILE  76   7.118  -1.686  -3.777
  566    HA   ILE  76           HA       ILE  76   8.909  -0.843  -1.828
  567    HB   ILE  76           HB       ILE  76   6.538  -2.705  -1.672
  568   HG12  ILE  76          HG12      ILE  76   6.905   0.184  -0.899
  569   HG13  ILE  76          HG11      ILE  76   6.091  -0.401  -2.338
  570   HG21  ILE  76          HG21      ILE  76   6.600  -2.166   0.802
  571   HG22  ILE  76          HG22      ILE  76   8.301  -1.692   0.559
  572   HG23  ILE  76          HG23      ILE  76   7.763  -3.313   0.186
  573   HD11  ILE  76          HD11      ILE  76   4.532   0.286  -0.667
  574   HD12  ILE  76          HD12      ILE  76   5.215  -0.866   0.498
  575   HD13  ILE  76          HD13      ILE  76   4.383  -1.452  -0.956
  576    H    LEU  77           HN       LEU  77   8.408  -3.994  -3.371
  577    HA   LEU  77           HA       LEU  77  10.012  -5.430  -1.515
  578    HB2  LEU  77           HB2      LEU  77   8.189  -6.247  -3.174
  579    HB3  LEU  77           HB1      LEU  77   9.512  -6.405  -4.312
  580    HG   LEU  77           HG       LEU  77   9.339  -7.818  -1.647
  581   HD11  LEU  77          HD11      LEU  77   8.801  -9.819  -2.972
  582   HD12  LEU  77          HD12      LEU  77   8.744  -8.825  -4.428
  583   HD13  LEU  77          HD13      LEU  77   7.578  -8.560  -3.127
  584   HD21  LEU  77          HD21      LEU  77  11.108  -9.270  -2.534
  585   HD22  LEU  77          HD22      LEU  77  11.644  -7.593  -2.448
  586   HD23  LEU  77          HD23      LEU  77  11.180  -8.291  -4.001
  587    H    ASP  78           HN       ASP  78  10.569  -4.018  -4.711
  588    HA   ASP  78           HA       ASP  78  13.209  -5.003  -5.065
  589    HB2  ASP  78           HB2      ASP  78  11.862  -4.214  -6.942
  590    HB3  ASP  78           HB1      ASP  78  11.854  -2.586  -6.272
  591    H    HIS  79           HN       HIS  79  11.902  -2.302  -3.429
  592    HA   HIS  79           HA       HIS  79  14.542  -1.141  -3.011
  593    HB2  HIS  79           HB2      HIS  79  11.782  -0.040  -2.714
  594    HB3  HIS  79           HB1      HIS  79  13.152   0.761  -1.968
  595    HD1  HIS  79           HD1      HIS  79  13.908   2.643  -3.368
  596    HD2  HIS  79           HD2      HIS  79  12.497  -0.507  -5.680
  597    HE1  HIS  79           HE1      HIS  79  14.100   3.402  -5.743
  598    HE2  HIS  79           HE2      HIS  79  12.951   1.605  -7.063
  599    H    GLN  80           HN       GLN  80  12.974  -3.449  -1.569
  600    HA   GLN  80           HA       GLN  80  12.505  -2.879   1.064
  601    HB2  GLN  80           HB2      GLN  80  13.382  -5.357  -0.311
  602    HB3  GLN  80           HB1      GLN  80  13.314  -5.322   1.446
  603    HG2  GLN  80           HG2      GLN  80  11.047  -4.614  -0.363
  604    HG3  GLN  80           HG1      GLN  80  11.292  -6.196   0.386
  605   HE21  GLN  80          HE21      GLN  80   9.245  -4.135   0.660
  606   HE22  GLN  80          HE22      GLN  80   9.071  -3.897   2.352
  607    H    ALA  81           HN       ALA  81  13.599  -3.246   2.988
  608    HA   ALA  81           HA       ALA  81  16.493  -3.382   2.929
  609    HB1  ALA  81           HB1      ALA  81  14.847  -1.338   4.447
  610    HB2  ALA  81           HB2      ALA  81  15.928  -0.999   3.094
  611    HB3  ALA  81           HB3      ALA  81  16.584  -1.580   4.623
  612    H28  SXH 101          H28B      SXH 101  -5.510   9.231  -2.620
  613   H28A  SXH 101          H28A      SXH 101  -6.778   9.699  -1.519
  614    H30  SXH 101          H30C      SXH 101  -4.737  11.112  -4.249
  615   H30A  SXH 101          H30A      SXH 101  -5.016  12.800  -3.779
  616   H30B  SXH 101          H30B      SXH 101  -6.343  11.813  -4.395
  617    H31  SXH 101          H31A      SXH 101  -7.112  11.885  -0.863
  618   H31A  SXH 101          H31C      SXH 101  -6.524  13.264  -1.817
  619   H31B  SXH 101          H31B      SXH 101  -7.731  12.144  -2.493
  620    H32  SXH 101          H32A      SXH 101  -4.036  12.336  -1.497
  621   HO33  SXH 101          H33A      SXH 101  -4.773  10.186  -0.005
  622   HN36  SXH 101          H36A      SXH 101  -2.927  11.279  -3.314
  623    H37  SXH 101          H37A      SXH 101  -0.911   9.969  -3.332
  624   H37A  SXH 101          H37B      SXH 101  -1.860   8.622  -2.702
  625    H38  SXH 101          H38A      SXH 101  -2.319  10.037  -5.336
  626   H38A  SXH 101          H38B      SXH 101  -1.511   8.465  -5.078
  627   HN41  SXH 101          H41A      SXH 101  -2.944   7.350  -3.335
  628    H42  SXH 101          H42A      SXH 101  -5.145   6.801  -2.722
  629   H42A  SXH 101          H42B      SXH 101  -5.656   6.992  -4.427
  630    H43  SXH 101          H43A      SXH 101  -4.487   5.059  -4.981
  631   H43A  SXH 101          H43B      SXH 101  -5.174   4.656  -3.335
  632    H2   SXH 101           H2A      SXH 101  -0.908   3.546  -2.565
  633    H2A  SXH 101           H2B      SXH 101  -0.724   2.834  -4.157
  634    H3   SXH 101           H3A      SXH 101  -1.501   0.791  -3.551
  635    H3A  SXH 101           H3B      SXH 101  -2.252   1.374  -2.053
  636    H4   SXH 101           H4B      SXH 101  -0.175   0.052  -1.687
  637    H4A  SXH 101           H4A      SXH 101   0.717   1.276  -2.583
  638    H5   SXH 101           H5A      SXH 101  -0.766   1.671   0.026
  639    H5A  SXH 101           H5B      SXH 101   0.040   2.960  -0.889
  640    H6   SXH 101           H6C      SXH 101   1.352   0.494   0.237
  641    H6A  SXH 101           H6A      SXH 101   1.453   2.123   0.907
  642    H6B  SXH 101           H6B      SXH 101   2.156   1.776  -0.671
  Start of MODEL    7
    1    H1   ALA   1           HT1      ALA   1  14.025  -8.039   5.104
    2    H2   ALA   1           HT2      ALA   1  15.309  -7.885   3.999
    3    H3   ALA   1           HT3      ALA   1  14.406  -9.322   4.096
    4    HA   ALA   1           HA       ALA   1  13.226  -6.773   3.285
    5    HB1  ALA   1           HB1      ALA   1  13.155  -7.771   1.041
    6    HB2  ALA   1           HB2      ALA   1  14.059  -9.167   1.633
    7    HB3  ALA   1           HB3      ALA   1  14.815  -7.576   1.601
    8    H    ALA   2           HN       ALA   2  11.327  -8.001   1.650
    9    HA   ALA   2           HA       ALA   2   9.953  -9.877   3.384
   10    HB1  ALA   2           HB1      ALA   2   8.690  -7.411   2.177
   11    HB2  ALA   2           HB2      ALA   2   9.099  -7.606   3.882
   12    HB3  ALA   2           HB3      ALA   2   7.875  -8.638   3.142
   13    H    THR   3           HN       THR   3   7.651 -10.133   1.809
   14    HA   THR   3           HA       THR   3   8.738 -10.872  -0.805
   15    HB   THR   3           HB       THR   3   7.285 -12.858  -0.742
   16    HG1  THR   3           HG1      THR   3   6.680 -12.957   1.889
   17   HG21  THR   3          HG21      THR   3   9.033 -12.673   1.723
   18   HG22  THR   3          HG22      THR   3   9.582 -13.120   0.108
   19   HG23  THR   3          HG23      THR   3   8.465 -14.168   0.980
   20    H    GLN   4           HN       GLN   4   6.453 -11.572  -2.024
   21    HA   GLN   4           HA       GLN   4   4.963  -9.201  -2.280
   22    HB2  GLN   4           HB2      GLN   4   5.070 -10.805  -4.120
   23    HB3  GLN   4           HB1      GLN   4   4.343 -12.049  -3.127
   24    HG2  GLN   4           HG2      GLN   4   2.787  -9.559  -3.701
   25    HG3  GLN   4           HG1      GLN   4   2.969 -10.754  -4.974
   26   HE21  GLN   4          HE21      GLN   4   1.493 -10.039  -1.911
   27   HE22  GLN   4          HE22      GLN   4   0.418 -11.373  -1.846
   28    H    GLU   5           HN       GLU   5   4.328 -12.261  -0.709
   29    HA   GLU   5           HA       GLU   5   1.811 -11.560   0.316
   30    HB2  GLU   5           HB2      GLU   5   3.788 -13.671   1.162
   31    HB3  GLU   5           HB1      GLU   5   2.135 -13.568   1.760
   32    HG2  GLU   5           HG2      GLU   5   1.217 -14.065  -0.326
   33    HG3  GLU   5           HG1      GLU   5   2.716 -13.693  -1.172
   34    H    GLU   6           HN       GLU   6   5.042 -11.255   1.668
   35    HA   GLU   6           HA       GLU   6   4.084 -10.435   4.211
   36    HB2  GLU   6           HB2      GLU   6   6.782 -10.478   2.978
   37    HB3  GLU   6           HB1      GLU   6   6.528  -9.471   4.395
   38    HG2  GLU   6           HG2      GLU   6   7.410 -11.637   4.984
   39    HG3  GLU   6           HG1      GLU   6   5.804 -11.374   5.664
   40    H    ILE   7           HN       ILE   7   5.388  -8.424   1.449
   41    HA   ILE   7           HA       ILE   7   4.906  -5.996   2.685
   42    HB   ILE   7           HB       ILE   7   4.673  -6.772  -0.226
   43   HG12  ILE   7          HG12      ILE   7   6.960  -5.561   1.314
   44   HG13  ILE   7          HG11      ILE   7   6.825  -7.259   0.883
   45   HG21  ILE   7          HG21      ILE   7   5.008  -4.041   1.041
   46   HG22  ILE   7          HG22      ILE   7   3.558  -4.626   0.224
   47   HG23  ILE   7          HG23      ILE   7   5.046  -4.384  -0.689
   48   HD11  ILE   7          HD11      ILE   7   6.839  -6.676  -1.467
   49   HD12  ILE   7          HD12      ILE   7   8.271  -6.060  -0.639
   50   HD13  ILE   7          HD13      ILE   7   6.949  -4.969  -1.046
   51    H    VAL   8           HN       VAL   8   2.817  -7.916   0.556
   52    HA   VAL   8           HA       VAL   8   0.668  -6.149   0.512
   53    HB   VAL   8           HB       VAL   8   0.682  -9.151   0.077
   54   HG11  VAL   8          HG11      VAL   8  -1.529  -8.846  -0.980
   55   HG12  VAL   8          HG12      VAL   8  -1.560  -7.177  -0.390
   56   HG13  VAL   8          HG13      VAL   8  -1.560  -8.519   0.748
   57   HG21  VAL   8          HG21      VAL   8   0.428  -8.469  -2.282
   58   HG22  VAL   8          HG22      VAL   8   1.923  -7.905  -1.542
   59   HG23  VAL   8          HG23      VAL   8   0.591  -6.782  -1.777
   60    H    ALA   9           HN       ALA   9   1.133  -8.934   2.744
   61    HA   ALA   9           HA       ALA   9  -1.277  -8.544   4.152
   62    HB1  ALA   9           HB1      ALA   9   0.075 -10.585   4.337
   63    HB2  ALA   9           HB2      ALA   9  -0.273  -9.889   5.918
   64    HB3  ALA   9           HB3      ALA   9   1.321  -9.676   5.192
   65    H    GLY  10           HN       GLY  10   1.790  -6.937   4.348
   66    HA2  GLY  10           HA2      GLY  10   1.406  -5.786   6.927
   67    HA3  GLY  10           HA1      GLY  10   2.656  -5.368   5.757
   68    H    LEU  11           HN       LEU  11   1.027  -4.781   3.602
   69    HA   LEU  11           HA       LEU  11   0.139  -2.111   4.195
   70    HB2  LEU  11           HB2      LEU  11  -0.537  -3.835   1.805
   71    HB3  LEU  11           HB1      LEU  11  -0.665  -2.094   1.907
   72    HG   LEU  11           HG       LEU  11   1.903  -3.674   1.920
   73   HD11  LEU  11          HD11      LEU  11   0.802  -3.703  -0.246
   74   HD12  LEU  11          HD12      LEU  11   2.255  -2.706  -0.290
   75   HD13  LEU  11          HD13      LEU  11   0.665  -1.944  -0.214
   76   HD21  LEU  11          HD21      LEU  11   2.103  -1.642   3.226
   77   HD22  LEU  11          HD22      LEU  11   1.414  -0.698   1.910
   78   HD23  LEU  11          HD23      LEU  11   2.983  -1.480   1.708
   79    H    ALA  12           HN       ALA  12  -1.458  -5.162   3.492
   80    HA   ALA  12           HA       ALA  12  -4.069  -4.305   3.517
   81    HB1  ALA  12           HB1      ALA  12  -3.356  -6.488   2.751
   82    HB2  ALA  12           HB2      ALA  12  -4.698  -6.549   3.902
   83    HB3  ALA  12           HB3      ALA  12  -3.062  -6.974   4.431
   84    H    GLU  13           HN       GLU  13  -2.154  -5.581   6.265
   85    HA   GLU  13           HA       GLU  13  -4.246  -5.462   8.103
   86    HB2  GLU  13           HB2      GLU  13  -2.533  -5.493   9.883
   87    HB3  GLU  13           HB1      GLU  13  -2.242  -6.705   8.643
   88    HG2  GLU  13           HG2      GLU  13  -0.544  -5.315   7.647
   89    HG3  GLU  13           HG1      GLU  13  -0.868  -4.045   8.820
   90    H    ILE  14           HN       ILE  14  -2.226  -2.978   6.946
   91    HA   ILE  14           HA       ILE  14  -3.052  -1.026   8.906
   92    HB   ILE  14           HB       ILE  14  -1.871  -0.594   6.130
   93   HG12  ILE  14          HG12      ILE  14  -0.431  -0.617   8.778
   94   HG13  ILE  14          HG11      ILE  14  -0.569  -2.047   7.757
   95   HG21  ILE  14          HG21      ILE  14  -1.184   1.581   7.081
   96   HG22  ILE  14          HG22      ILE  14  -1.978   1.166   8.602
   97   HG23  ILE  14          HG23      ILE  14  -2.939   1.404   7.142
   98   HD11  ILE  14          HD11      ILE  14   0.702   0.561   6.982
   99   HD12  ILE  14          HD12      ILE  14   0.541  -0.895   5.979
  100   HD13  ILE  14          HD13      ILE  14   1.535  -0.938   7.438
  101    H    VAL  15           HN       VAL  15  -3.843  -1.600   5.480
  102    HA   VAL  15           HA       VAL  15  -5.893   0.186   4.977
  103    HB   VAL  15           HB       VAL  15  -5.703  -2.680   3.999
  104   HG11  VAL  15          HG11      VAL  15  -7.020  -0.267   2.752
  105   HG12  VAL  15          HG12      VAL  15  -7.848  -1.647   3.473
  106   HG13  VAL  15          HG13      VAL  15  -6.886  -1.864   2.018
  107   HG21  VAL  15          HG21      VAL  15  -4.428  -1.835   2.175
  108   HG22  VAL  15          HG22      VAL  15  -3.638  -1.432   3.697
  109   HG23  VAL  15          HG23      VAL  15  -4.522  -0.184   2.808
  110    H    ASN  16           HN       ASN  16  -6.033  -2.990   6.491
  111    HA   ASN  16           HA       ASN  16  -8.720  -3.539   6.840
  112    HB2  ASN  16           HB2      ASN  16  -6.344  -3.975   8.594
  113    HB3  ASN  16           HB1      ASN  16  -7.933  -4.407   9.197
  114   HD21  ASN  16          HD21      ASN  16  -6.915  -4.876   5.799
  115   HD22  ASN  16          HD22      ASN  16  -6.837  -6.580   5.949
  116    H    GLU  17           HN       GLU  17  -6.693  -1.363   8.729
  117    HA   GLU  17           HA       GLU  17  -8.702  -0.882  10.701
  118    HB2  GLU  17           HB2      GLU  17  -6.034   0.416  10.213
  119    HB3  GLU  17           HB1      GLU  17  -7.075   0.765  11.586
  120    HG2  GLU  17           HG2      GLU  17  -6.898  -1.541  12.323
  121    HG3  GLU  17           HG1      GLU  17  -5.895  -1.915  10.922
  122    H    ILE  18           HN       ILE  18  -7.326   1.006   8.035
  123    HA   ILE  18           HA       ILE  18  -9.058   3.246   8.815
  124    HB   ILE  18           HB       ILE  18  -7.336   3.253   6.366
  125   HG12  ILE  18          HG12      ILE  18  -6.324   3.940   9.135
  126   HG13  ILE  18          HG11      ILE  18  -5.945   2.422   8.306
  127   HG21  ILE  18          HG21      ILE  18  -7.139   5.643   7.009
  128   HG22  ILE  18          HG22      ILE  18  -8.208   5.339   8.375
  129   HG23  ILE  18          HG23      ILE  18  -8.808   5.147   6.723
  130   HD11  ILE  18          HD11      ILE  18  -4.157   4.072   8.102
  131   HD12  ILE  18          HD12      ILE  18  -5.304   5.186   7.337
  132   HD13  ILE  18          HD13      ILE  18  -4.880   3.694   6.535
  133    H    ALA  19           HN       ALA  19  -8.404   1.385   5.805
  134    HA   ALA  19           HA       ALA  19 -10.755   2.504   4.551
  135    HB1  ALA  19           HB1      ALA  19  -8.924   0.328   3.569
  136    HB2  ALA  19           HB2      ALA  19  -8.740   2.053   3.245
  137    HB3  ALA  19           HB3      ALA  19 -10.140   1.179   2.621
  138    H    GLY  20           HN       GLY  20  -9.874  -0.479   6.091
  139    HA2  GLY  20           HA2      GLY  20 -11.409  -1.922   7.089
  140    HA3  GLY  20           HA1      GLY  20 -12.685  -1.214   6.108
  141    H    ILE  21           HN       ILE  21  -9.954  -1.942   4.216
  142    HA   ILE  21           HA       ILE  21 -11.396  -4.029   2.915
  143    HB   ILE  21           HB       ILE  21  -8.588  -3.021   2.426
  144   HG12  ILE  21          HG12      ILE  21 -10.200  -1.296   2.096
  145   HG13  ILE  21          HG11      ILE  21  -9.703  -1.892   0.511
  146   HG21  ILE  21          HG21      ILE  21  -8.744  -4.202   0.308
  147   HG22  ILE  21          HG22      ILE  21 -10.394  -4.711   0.681
  148   HG23  ILE  21          HG23      ILE  21  -9.047  -5.335   1.623
  149   HD11  ILE  21          HD11      ILE  21 -12.215  -2.622   1.981
  150   HD12  ILE  21          HD12      ILE  21 -11.693  -3.311   0.452
  151   HD13  ILE  21          HD13      ILE  21 -12.105  -1.582   0.546
  152    HA   PRO  22           HA       PRO  22  -9.575  -7.055   5.733
  153    HB2  PRO  22           HB2      PRO  22 -10.449  -9.004   3.704
  154    HB3  PRO  22           HB1      PRO  22 -10.887  -8.888   5.410
  155    HG2  PRO  22           HG2      PRO  22 -12.589  -8.300   3.489
  156    HG3  PRO  22           HG1      PRO  22 -12.568  -7.363   5.006
  157    HD2  PRO  22           HD2      PRO  22 -11.465  -6.638   2.323
  158    HD3  PRO  22           HD1      PRO  22 -12.305  -5.615   3.508
  159    H    VAL  23           HN       VAL  23  -7.894  -8.613   5.733
  160    HA   VAL  23           HA       VAL  23  -5.758  -7.890   4.053
  161    HB   VAL  23           HB       VAL  23  -4.466  -9.807   5.031
  162   HG11  VAL  23          HG11      VAL  23  -4.416  -8.983   7.325
  163   HG12  VAL  23          HG12      VAL  23  -5.923  -8.113   7.042
  164   HG13  VAL  23          HG13      VAL  23  -4.464  -7.664   6.156
  165   HG21  VAL  23          HG21      VAL  23  -5.465 -11.118   6.864
  166   HG22  VAL  23          HG22      VAL  23  -6.267 -11.414   5.317
  167   HG23  VAL  23          HG23      VAL  23  -7.031 -10.377   6.517
  168    H    GLU  24           HN       GLU  24  -8.080 -10.461   3.870
  169    HA   GLU  24           HA       GLU  24  -6.648 -11.829   1.799
  170    HB2  GLU  24           HB2      GLU  24  -9.398 -12.256   2.925
  171    HB3  GLU  24           HB1      GLU  24  -8.662 -13.271   1.688
  172    HG2  GLU  24           HG2      GLU  24  -7.548 -12.776   4.420
  173    HG3  GLU  24           HG1      GLU  24  -8.463 -14.206   3.937
  174    H    ASP  25           HN       ASP  25  -8.694  -9.142   1.834
  175    HA   ASP  25           HA       ASP  25  -9.634  -9.729  -0.828
  176    HB2  ASP  25           HB2      ASP  25 -11.047  -8.530   0.927
  177    HB3  ASP  25           HB1      ASP  25  -9.991  -7.141   0.689
  178    H    VAL  26           HN       VAL  26  -7.364  -7.639   0.891
  179    HA   VAL  26           HA       VAL  26  -6.307  -6.238  -1.307
  180    HB   VAL  26           HB       VAL  26  -4.989  -6.999   1.325
  181   HG11  VAL  26          HG11      VAL  26  -3.516  -5.078   0.946
  182   HG12  VAL  26          HG12      VAL  26  -4.252  -4.835  -0.640
  183   HG13  VAL  26          HG13      VAL  26  -3.347  -6.309  -0.303
  184   HG21  VAL  26          HG21      VAL  26  -6.481  -4.488   0.593
  185   HG22  VAL  26          HG22      VAL  26  -5.611  -4.767   2.100
  186   HG23  VAL  26          HG23      VAL  26  -7.031  -5.740   1.705
  187    H    LYS  27           HN       LYS  27  -5.832  -7.681  -2.937
  188    HA   LYS  27           HA       LYS  27  -3.442  -9.307  -2.463
  189    HB2  LYS  27           HB2      LYS  27  -5.682  -9.859  -4.444
  190    HB3  LYS  27           HB1      LYS  27  -4.180 -10.781  -4.367
  191    HG2  LYS  27           HG2      LYS  27  -6.327 -10.628  -2.241
  192    HG3  LYS  27           HG1      LYS  27  -5.974 -12.004  -3.288
  193    HD2  LYS  27           HD2      LYS  27  -3.828 -12.325  -2.240
  194    HD3  LYS  27           HD1      LYS  27  -3.998 -10.827  -1.327
  195    HE2  LYS  27           HE2      LYS  27  -5.994 -11.841  -0.194
  196    HE3  LYS  27           HE1      LYS  27  -5.627 -13.357  -1.011
  197    HZ1  LYS  27           HZ1      LYS  27  -3.519 -13.458   0.157
  198    HZ2  LYS  27           HZ2      LYS  27  -4.741 -13.205   1.319
  199    HZ3  LYS  27           HZ3      LYS  27  -3.777 -11.932   0.806
  200    H    LEU  28           HN       LEU  28  -2.164  -9.460  -4.701
  201    HA   LEU  28           HA       LEU  28  -1.422  -6.753  -4.902
  202    HB2  LEU  28           HB2      LEU  28   0.503  -7.460  -5.990
  203    HB3  LEU  28           HB1      LEU  28  -0.002  -8.835  -5.028
  204    HG   LEU  28           HG       LEU  28  -1.034  -9.729  -7.180
  205   HD11  LEU  28          HD11      LEU  28   0.110  -9.017  -9.253
  206   HD12  LEU  28          HD12      LEU  28   0.927  -7.742  -8.337
  207   HD13  LEU  28          HD13      LEU  28  -0.821  -7.700  -8.526
  208   HD21  LEU  28          HD21      LEU  28   0.882 -10.708  -6.076
  209   HD22  LEU  28          HD22      LEU  28   1.950  -9.536  -6.851
  210   HD23  LEU  28          HD23      LEU  28   1.102 -10.738  -7.825
  211    H    ASP  29           HN       ASP  29  -3.544  -8.549  -6.896
  212    HA   ASP  29           HA       ASP  29  -3.163  -6.798  -9.184
  213    HB2  ASP  29           HB2      ASP  29  -3.351  -9.180  -9.568
  214    HB3  ASP  29           HB1      ASP  29  -4.849  -9.227  -8.659
  215    H    LYS  30           HN       LYS  30  -4.486  -6.248  -6.385
  216    HA   LYS  30           HA       LYS  30  -7.087  -5.469  -7.350
  217    HB2  LYS  30           HB2      LYS  30  -6.077  -5.536  -4.519
  218    HB3  LYS  30           HB1      LYS  30  -7.711  -5.273  -5.053
  219    HG2  LYS  30           HG2      LYS  30  -6.156  -7.764  -5.134
  220    HG3  LYS  30           HG1      LYS  30  -7.578  -7.404  -4.156
  221    HD2  LYS  30           HD2      LYS  30  -8.684  -7.035  -6.511
  222    HD3  LYS  30           HD1      LYS  30  -7.383  -8.109  -7.041
  223    HE2  LYS  30           HE2      LYS  30  -9.371  -9.390  -6.503
  224    HE3  LYS  30           HE1      LYS  30  -8.078  -9.752  -5.355
  225    HZ1  LYS  30           HZ1      LYS  30 -10.214  -7.767  -4.869
  226    HZ2  LYS  30           HZ2      LYS  30  -9.108  -8.340  -3.722
  227    HZ3  LYS  30           HZ3      LYS  30 -10.311  -9.360  -4.312
  228    H    SER  31           HN       SER  31  -7.057  -3.622  -7.993
  229    HA   SER  31           HA       SER  31  -5.343  -1.513  -7.076
  230    HB2  SER  31           HB2      SER  31  -6.373  -1.515  -9.383
  231    HB3  SER  31           HB1      SER  31  -7.948  -1.259  -8.635
  232    HG   SER  31           HG       SER  31  -5.837   0.499  -8.032
  233    H    PHE  32           HN       PHE  32  -5.534  -0.964  -5.081
  234    HA   PHE  32           HA       PHE  32  -7.456  -1.192  -3.212
  235    HB2  PHE  32           HB2      PHE  32  -5.565   1.066  -3.661
  236    HB3  PHE  32           HB1      PHE  32  -6.669   1.089  -2.286
  237    HD1  PHE  32           HD1      PHE  32  -6.506  -0.690  -0.592
  238    HD2  PHE  32           HD2      PHE  32  -3.541  -0.236  -3.637
  239    HE1  PHE  32           HE1      PHE  32  -4.967  -2.018   0.723
  240    HE2  PHE  32           HE2      PHE  32  -2.005  -1.543  -2.351
  241    HZ   PHE  32           HZ       PHE  32  -2.672  -2.462  -0.133
  242    H    THR  33           HN       THR  33  -7.197   1.980  -4.883
  243    HA   THR  33           HA       THR  33  -9.752   2.893  -4.274
  244    HB   THR  33           HB       THR  33  -8.206   3.957  -6.565
  245    HG1  THR  33           HG1      THR  33  -6.391   4.152  -5.437
  246   HG21  THR  33          HG21      THR  33  -8.522   6.038  -5.301
  247   HG22  THR  33          HG22      THR  33  -9.203   5.120  -3.960
  248   HG23  THR  33          HG23      THR  33 -10.066   5.199  -5.501
  249    H    ASP  34           HN       ASP  34 -10.250   0.410  -5.529
  250    HA   ASP  34           HA       ASP  34 -12.013   1.120  -7.646
  251    HB2  ASP  34           HB2      ASP  34  -9.945   1.198  -8.984
  252    HB3  ASP  34           HB1      ASP  34  -9.557  -0.447  -8.498
  253    H    ASP  35           HN       ASP  35 -10.009  -1.620  -6.756
  254    HA   ASP  35           HA       ASP  35 -12.115  -3.548  -7.183
  255    HB2  ASP  35           HB2      ASP  35  -9.730  -3.970  -7.626
  256    HB3  ASP  35           HB1      ASP  35  -9.393  -3.900  -5.927
  257    H    LEU  36           HN       LEU  36 -10.036  -2.759  -4.575
  258    HA   LEU  36           HA       LEU  36 -11.255  -4.324  -2.627
  259    HB2  LEU  36           HB2      LEU  36  -9.487  -1.921  -2.360
  260    HB3  LEU  36           HB1      LEU  36  -9.811  -3.090  -1.095
  261    HG   LEU  36           HG       LEU  36  -8.353  -3.572  -3.692
  262   HD11  LEU  36          HD11      LEU  36  -7.427  -3.691  -0.844
  263   HD12  LEU  36          HD12      LEU  36  -7.033  -2.437  -2.021
  264   HD13  LEU  36          HD13      LEU  36  -6.470  -4.090  -2.269
  265   HD21  LEU  36          HD21      LEU  36  -9.048  -5.491  -1.512
  266   HD22  LEU  36          HD22      LEU  36  -8.003  -5.824  -2.896
  267   HD23  LEU  36          HD23      LEU  36  -9.717  -5.464  -3.141
  268    H    ASP  37           HN       ASP  37 -10.892  -0.982  -2.384
  269    HA   ASP  37           HA       ASP  37 -12.839   0.599  -2.581
  270    HB2  ASP  37           HB2      ASP  37 -14.422  -1.350  -1.575
  271    HB3  ASP  37           HB1      ASP  37 -13.918  -0.638  -0.062
  272    H    VAL  38           HN       VAL  38 -10.669   1.388  -2.042
  273    HA   VAL  38           HA       VAL  38 -10.271   1.660   0.811
  274    HB   VAL  38           HB       VAL  38  -8.378   1.167  -0.744
  275   HG11  VAL  38          HG11      VAL  38  -8.664   4.072  -1.495
  276   HG12  VAL  38          HG12      VAL  38  -8.861   2.678  -2.557
  277   HG13  VAL  38          HG13      VAL  38  -7.272   3.062  -1.893
  278   HG21  VAL  38          HG21      VAL  38  -6.725   2.618   0.402
  279   HG22  VAL  38          HG22      VAL  38  -7.905   1.895   1.496
  280   HG23  VAL  38          HG23      VAL  38  -8.062   3.587   1.023
  281    H    ASP  39           HN       ASP  39 -10.054   3.733   1.824
  282    HA   ASP  39           HA       ASP  39 -12.051   5.528   0.901
  283    HB2  ASP  39           HB2      ASP  39 -12.330   5.209   3.136
  284    HB3  ASP  39           HB1      ASP  39 -10.654   4.773   3.384
  285    H    SER  40           HN       SER  40  -8.993   5.075   0.068
  286    HA   SER  40           HA       SER  40  -7.232   6.088  -0.687
  287    HB2  SER  40           HB2      SER  40  -7.513   8.070  -2.055
  288    HB3  SER  40           HB1      SER  40  -8.878   6.974  -2.293
  289    H    LEU  41           HN       LEU  41  -8.837   7.940   1.736
  290    HA   LEU  41           HA       LEU  41  -6.606   9.701   2.228
  291    HB2  LEU  41           HB2      LEU  41  -8.903   9.024   4.084
  292    HB3  LEU  41           HB1      LEU  41  -7.877  10.440   4.153
  293    HG   LEU  41           HG       LEU  41  -9.920   9.833   2.026
  294   HD11  LEU  41          HD11      LEU  41 -11.109  11.769   2.962
  295   HD12  LEU  41          HD12      LEU  41  -9.886  11.897   4.226
  296   HD13  LEU  41          HD13      LEU  41 -10.929  10.478   4.148
  297   HD21  LEU  41          HD21      LEU  41  -9.459  12.099   1.205
  298   HD22  LEU  41          HD22      LEU  41  -8.038  11.059   1.097
  299   HD23  LEU  41          HD23      LEU  41  -8.158  12.255   2.387
  300    H    SER  42           HN       SER  42  -7.842   6.660   3.090
  301    HA   SER  42           HA       SER  42  -6.503   5.859   5.342
  302    HB2  SER  42           HB2      SER  42  -7.000   4.265   2.847
  303    HB3  SER  42           HB1      SER  42  -6.846   3.629   4.475
  304    HG   SER  42           HG       SER  42  -8.840   5.499   4.360
  305    H    MET  43           HN       MET  43  -5.598   6.142   1.967
  306    HA   MET  43           HA       MET  43  -3.376   4.459   2.001
  307    HB2  MET  43           HB2      MET  43  -4.688   5.376   0.008
  308    HB3  MET  43           HB1      MET  43  -3.665   6.803   0.165
  309    HG2  MET  43           HG2      MET  43  -2.746   5.289  -1.451
  310    HG3  MET  43           HG1      MET  43  -1.691   5.375  -0.022
  311    HE1  MET  43           HE1      MET  43  -5.139   3.576  -0.337
  312    HE2  MET  43           HE2      MET  43  -4.656   1.958  -0.867
  313    HE3  MET  43           HE3      MET  43  -4.397   3.361  -1.911
  314    H    VAL  44           HN       VAL  44  -3.829   7.829   2.714
  315    HA   VAL  44           HA       VAL  44  -1.152   8.513   2.593
  316    HB   VAL  44           HB       VAL  44  -3.347   9.844   4.210
  317   HG11  VAL  44          HG11      VAL  44  -1.960  11.863   4.087
  318   HG12  VAL  44          HG12      VAL  44  -0.693  10.946   3.276
  319   HG13  VAL  44          HG13      VAL  44  -1.130  10.564   4.944
  320   HG21  VAL  44          HG21      VAL  44  -2.374  10.392   1.388
  321   HG22  VAL  44          HG22      VAL  44  -3.564  11.350   2.251
  322   HG23  VAL  44          HG23      VAL  44  -3.915   9.681   1.829
  323    H    GLU  45           HN       GLU  45  -3.198   7.404   5.291
  324    HA   GLU  45           HA       GLU  45  -1.025   7.517   7.153
  325    HB2  GLU  45           HB2      GLU  45  -3.747   6.256   7.369
  326    HB3  GLU  45           HB1      GLU  45  -2.589   6.387   8.686
  327    HG2  GLU  45           HG2      GLU  45  -2.680   8.820   8.505
  328    HG3  GLU  45           HG1      GLU  45  -3.875   8.666   7.216
  329    H    VAL  46           HN       VAL  46  -2.545   5.086   5.116
  330    HA   VAL  46           HA       VAL  46  -1.216   2.848   6.117
  331    HB   VAL  46           HB       VAL  46  -2.096   3.356   3.217
  332   HG11  VAL  46          HG11      VAL  46  -2.053   0.947   2.917
  333   HG12  VAL  46          HG12      VAL  46  -1.425   0.743   4.543
  334   HG13  VAL  46          HG13      VAL  46  -0.428   1.542   3.304
  335   HG21  VAL  46          HG21      VAL  46  -4.003   1.897   3.780
  336   HG22  VAL  46          HG22      VAL  46  -3.975   3.377   4.740
  337   HG23  VAL  46          HG23      VAL  46  -3.448   1.853   5.455
  338    H    VAL  47           HN       VAL  47  -0.271   5.319   3.844
  339    HA   VAL  47           HA       VAL  47   2.244   4.394   3.000
  340    HB   VAL  47           HB       VAL  47   0.827   7.054   3.120
  341   HG11  VAL  47          HG11      VAL  47   3.103   7.646   3.817
  342   HG12  VAL  47          HG12      VAL  47   2.758   8.229   2.187
  343   HG13  VAL  47          HG13      VAL  47   3.752   6.791   2.418
  344   HG21  VAL  47          HG21      VAL  47   1.269   7.017   0.714
  345   HG22  VAL  47          HG22      VAL  47   0.432   5.564   1.259
  346   HG23  VAL  47          HG23      VAL  47   2.160   5.507   0.911
  347    H    VAL  48           HN       VAL  48   1.569   6.769   5.548
  348    HA   VAL  48           HA       VAL  48   4.214   6.852   6.403
  349    HB   VAL  48           HB       VAL  48   1.706   7.489   7.993
  350   HG11  VAL  48          HG11      VAL  48   4.570   8.288   8.561
  351   HG12  VAL  48          HG12      VAL  48   3.623   7.144   9.513
  352   HG13  VAL  48          HG13      VAL  48   3.146   8.841   9.444
  353   HG21  VAL  48          HG21      VAL  48   3.619   9.147   6.410
  354   HG22  VAL  48          HG22      VAL  48   2.264   9.795   7.355
  355   HG23  VAL  48          HG23      VAL  48   1.969   8.741   5.957
  356    H    ALA  49           HN       ALA  49   1.794   4.556   7.075
  357    HA   ALA  49           HA       ALA  49   3.205   3.355   9.291
  358    HB1  ALA  49           HB1      ALA  49   1.495   1.586   9.138
  359    HB2  ALA  49           HB2      ALA  49   0.904   2.302   7.636
  360    HB3  ALA  49           HB3      ALA  49   0.764   3.190   9.145
  361    H    ALA  50           HN       ALA  50   2.668   2.621   5.873
  362    HA   ALA  50           HA       ALA  50   4.197   0.265   5.743
  363    HB1  ALA  50           HB1      ALA  50   3.583   2.225   3.534
  364    HB2  ALA  50           HB2      ALA  50   2.548   0.891   4.042
  365    HB3  ALA  50           HB3      ALA  50   4.126   0.559   3.327
  366    H    GLU  51           HN       GLU  51   5.055   3.666   5.339
  367    HA   GLU  51           HA       GLU  51   7.616   3.319   4.304
  368    HB2  GLU  51           HB2      GLU  51   6.692   5.460   6.192
  369    HB3  GLU  51           HB1      GLU  51   8.108   5.532   5.178
  370    HG2  GLU  51           HG2      GLU  51   6.633   5.533   3.182
  371    HG3  GLU  51           HG1      GLU  51   5.258   5.494   4.269
  372    H    GLU  52           HN       GLU  52   6.262   3.343   7.459
  373    HA   GLU  52           HA       GLU  52   8.694   3.542   8.924
  374    HB2  GLU  52           HB2      GLU  52   6.504   4.327   9.742
  375    HB3  GLU  52           HB1      GLU  52   5.948   2.664   9.807
  376    HG2  GLU  52           HG2      GLU  52   6.573   3.516  11.981
  377    HG3  GLU  52           HG1      GLU  52   7.591   2.153  11.499
  378    H    ARG  53           HN       ARG  53   6.493   0.946   8.100
  379    HA   ARG  53           HA       ARG  53   7.979  -0.954   9.648
  380    HB2  ARG  53           HB2      ARG  53   6.273  -2.511   9.015
  381    HB3  ARG  53           HB1      ARG  53   5.562  -0.968   9.503
  382    HG2  ARG  53           HG2      ARG  53   5.224  -0.388   7.182
  383    HG3  ARG  53           HG1      ARG  53   5.906  -1.939   6.693
  384    HD2  ARG  53           HD2      ARG  53   3.419  -1.512   8.341
  385    HD3  ARG  53           HD1      ARG  53   3.561  -1.999   6.640
  386    HE   ARG  53           HE       ARG  53   4.854  -3.965   7.607
  387   HH11  ARG  53          HH11      ARG  53   2.318  -2.428   9.568
  388   HH12  ARG  53          HH12      ARG  53   1.622  -3.911  10.054
  389   HH21  ARG  53          HH21      ARG  53   3.877  -5.997   8.280
  390   HH22  ARG  53          HH22      ARG  53   2.494  -5.956   9.295
  391    H    PHE  54           HN       PHE  54   7.807  -0.035   6.299
  392    HA   PHE  54           HA       PHE  54   9.354  -2.392   5.564
  393    HB2  PHE  54           HB2      PHE  54   7.826  -0.437   3.861
  394    HB3  PHE  54           HB1      PHE  54   8.821  -1.717   3.205
  395    HD1  PHE  54           HD1      PHE  54   8.232  -4.103   4.425
  396    HD2  PHE  54           HD2      PHE  54   5.590  -0.834   3.827
  397    HE1  PHE  54           HE1      PHE  54   6.319  -5.636   4.538
  398    HE2  PHE  54           HE2      PHE  54   3.668  -2.360   3.938
  399    HZ   PHE  54           HZ       PHE  54   4.035  -4.769   4.313
  400    H    ASP  55           HN       ASP  55   9.808   0.895   6.227
  401    HA   ASP  55           HA       ASP  55  11.568   2.312   6.116
  402    HB2  ASP  55           HB2      ASP  55  12.764   0.225   7.080
  403    HB3  ASP  55           HB1      ASP  55  13.269  -0.109   5.444
  404    H    VAL  56           HN       VAL  56  10.178   1.244   3.668
  405    HA   VAL  56           HA       VAL  56  12.093   1.764   1.548
  406    HB   VAL  56           HB       VAL  56  10.557  -0.119   1.243
  407   HG11  VAL  56          HG11      VAL  56   8.164   0.230   0.822
  408   HG12  VAL  56          HG12      VAL  56   8.347   1.916   1.315
  409   HG13  VAL  56          HG13      VAL  56   8.654   0.616   2.471
  410   HG21  VAL  56          HG21      VAL  56  11.357   0.948  -0.748
  411   HG22  VAL  56          HG22      VAL  56  10.039   2.122  -0.689
  412   HG23  VAL  56          HG23      VAL  56   9.691   0.419  -0.989
  413    H    LYS  57           HN       LYS  57   9.308   3.138   2.968
  414    HA   LYS  57           HA       LYS  57   8.244   5.117   2.854
  415    HB2  LYS  57           HB2      LYS  57  10.211   6.061   3.737
  416    HB3  LYS  57           HB1      LYS  57  11.030   6.012   2.193
  417    HG2  LYS  57           HG2      LYS  57   9.801   7.853   1.358
  418    HG3  LYS  57           HG1      LYS  57   8.630   7.761   2.674
  419    HD2  LYS  57           HD2      LYS  57  11.546   8.317   3.143
  420    HD3  LYS  57           HD1      LYS  57  10.380   9.602   2.819
  421    HE2  LYS  57           HE2      LYS  57   9.990   7.582   5.027
  422    HE3  LYS  57           HE1      LYS  57  10.856   9.106   5.286
  423    HZ1  LYS  57           HZ1      LYS  57   8.793  10.252   4.588
  424    HZ2  LYS  57           HZ2      LYS  57   8.585   9.294   5.939
  425    HZ3  LYS  57           HZ3      LYS  57   8.021   8.753   4.433
  426    H    ILE  58           HN       ILE  58   6.669   4.939   1.405
  427    HA   ILE  58           HA       ILE  58   7.193   6.060  -1.286
  428    HB   ILE  58           HB       ILE  58   4.657   4.576  -0.557
  429   HG12  ILE  58          HG12      ILE  58   6.951   3.266  -1.972
  430   HG13  ILE  58          HG11      ILE  58   6.727   3.097  -0.226
  431   HG21  ILE  58          HG21      ILE  58   4.468   4.301  -2.966
  432   HG22  ILE  58          HG22      ILE  58   5.959   5.201  -3.194
  433   HG23  ILE  58          HG23      ILE  58   4.549   5.982  -2.491
  434   HD11  ILE  58          HD11      ILE  58   4.746   2.362  -2.349
  435   HD12  ILE  58          HD12      ILE  58   4.529   2.235  -0.598
  436   HD13  ILE  58          HD13      ILE  58   5.755   1.254  -1.406
  437    HA   PRO  59           HA       PRO  59   4.661   9.166   0.873
  438    HB2  PRO  59           HB2      PRO  59   4.891  10.938  -1.250
  439    HB3  PRO  59           HB1      PRO  59   5.987  10.901   0.133
  440    HG2  PRO  59           HG2      PRO  59   6.341   9.790  -2.600
  441    HG3  PRO  59           HG1      PRO  59   7.543  10.502  -1.509
  442    HD2  PRO  59           HD2      PRO  59   7.304   7.803  -1.920
  443    HD3  PRO  59           HD1      PRO  59   7.865   8.516  -0.391
  444    H    ASP  60           HN       ASP  60   2.470   9.684   0.413
  445    HA   ASP  60           HA       ASP  60   1.169   7.956  -1.395
  446    HB2  ASP  60           HB2      ASP  60  -0.935   8.940  -0.784
  447    HB3  ASP  60           HB1      ASP  60   0.057   8.911   0.660
  448    H    ASP  61           HN       ASP  61   2.629  10.890  -1.933
  449    HA   ASP  61           HA       ASP  61   1.221  11.618  -4.338
  450    HB2  ASP  61           HB2      ASP  61   2.505  13.254  -2.969
  451    HB3  ASP  61           HB1      ASP  61   3.989  12.423  -3.414
  452    H    ASP  62           HN       ASP  62   3.857   9.593  -3.562
  453    HA   ASP  62           HA       ASP  62   4.530   9.113  -6.397
  454    HB2  ASP  62           HB2      ASP  62   5.721   8.035  -3.824
  455    HB3  ASP  62           HB1      ASP  62   6.115   7.329  -5.382
  456    H    VAL  63           HN       VAL  63   2.946   7.770  -3.727
  457    HA   VAL  63           HA       VAL  63   2.450   5.159  -4.533
  458    HB   VAL  63           HB       VAL  63   1.818   6.697  -2.325
  459   HG11  VAL  63          HG11      VAL  63  -0.282   7.450  -3.140
  460   HG12  VAL  63          HG12      VAL  63  -0.567   6.299  -1.842
  461   HG13  VAL  63          HG13      VAL  63  -0.794   5.811  -3.526
  462   HG21  VAL  63          HG21      VAL  63   0.996   3.879  -2.931
  463   HG22  VAL  63          HG22      VAL  63   1.051   4.603  -1.323
  464   HG23  VAL  63          HG23      VAL  63   2.534   4.414  -2.259
  465    H    LYS  64           HN       LYS  64   1.089   8.047  -5.713
  466    HA   LYS  64           HA       LYS  64  -1.350   7.130  -6.559
  467    HB2  LYS  64           HB2      LYS  64  -1.382   8.956  -8.233
  468    HB3  LYS  64           HB1      LYS  64  -0.804   9.509  -6.664
  469    HG2  LYS  64           HG2      LYS  64   1.446   9.521  -7.453
  470    HG3  LYS  64           HG1      LYS  64   0.958   8.784  -8.978
  471    HD2  LYS  64           HD2      LYS  64   1.304  11.131  -9.284
  472    HD3  LYS  64           HD1      LYS  64  -0.417  10.751  -9.456
  473    HE2  LYS  64           HE2      LYS  64  -0.791  11.576  -7.167
  474    HE3  LYS  64           HE1      LYS  64   0.928  11.954  -7.029
  475    HZ1  LYS  64           HZ1      LYS  64   0.637  13.466  -8.956
  476    HZ2  LYS  64           HZ2      LYS  64  -0.199  13.956  -7.604
  477    HZ3  LYS  64           HZ3      LYS  64  -1.031  13.235  -8.881
  478    H    ASN  65           HN       ASN  65   1.775   6.632  -7.802
  479    HA   ASN  65           HA       ASN  65   0.963   5.640 -10.413
  480    HB2  ASN  65           HB2      ASN  65   3.667   5.524  -9.045
  481    HB3  ASN  65           HB1      ASN  65   3.356   5.092 -10.719
  482   HD21  ASN  65          HD21      ASN  65   3.836   7.622  -8.464
  483   HD22  ASN  65          HD22      ASN  65   3.859   8.936  -9.572
  484    H    LEU  66           HN       LEU  66   0.825   4.482  -7.361
  485    HA   LEU  66           HA       LEU  66   1.458   1.705  -8.097
  486    HB2  LEU  66           HB2      LEU  66   1.188   2.890  -5.366
  487    HB3  LEU  66           HB1      LEU  66   1.669   1.266  -5.831
  488    HG   LEU  66           HG       LEU  66   3.249   3.791  -6.377
  489   HD11  LEU  66          HD11      LEU  66   3.644   1.684  -4.268
  490   HD12  LEU  66          HD12      LEU  66   3.107   3.340  -3.999
  491   HD13  LEU  66          HD13      LEU  66   4.739   3.025  -4.589
  492   HD21  LEU  66          HD21      LEU  66   4.033   0.903  -6.590
  493   HD22  LEU  66          HD22      LEU  66   5.103   2.279  -6.847
  494   HD23  LEU  66          HD23      LEU  66   3.741   1.998  -7.941
  495    H    LYS  67           HN       LYS  67  -0.942   3.185  -8.600
  496    HA   LYS  67           HA       LYS  67  -3.196   2.986  -7.210
  497    HB2  LYS  67           HB2      LYS  67  -4.394   2.355  -9.271
  498    HB3  LYS  67           HB1      LYS  67  -3.221   3.659  -9.466
  499    HG2  LYS  67           HG2      LYS  67  -1.660   2.222 -10.498
  500    HG3  LYS  67           HG1      LYS  67  -2.600   0.785 -10.128
  501    HD2  LYS  67           HD2      LYS  67  -2.917   1.368 -12.459
  502    HD3  LYS  67           HD1      LYS  67  -4.414   1.737 -11.600
  503    HE2  LYS  67           HE2      LYS  67  -3.649   4.101 -11.425
  504    HE3  LYS  67           HE1      LYS  67  -2.263   3.672 -12.430
  505    HZ1  LYS  67           HZ1      LYS  67  -3.775   3.084 -14.199
  506    HZ2  LYS  67           HZ2      LYS  67  -4.036   4.682 -13.682
  507    HZ3  LYS  67           HZ3      LYS  67  -5.109   3.451 -13.210
  508    H    THR  68           HN       THR  68  -1.475   0.047  -8.139
  509    HA   THR  68           HA       THR  68  -3.642  -1.479  -6.961
  510    HB   THR  68           HB       THR  68  -2.433  -3.409  -7.904
  511    HG1  THR  68           HG1      THR  68  -0.862  -3.091  -9.388
  512   HG21  THR  68          HG21      THR  68  -3.744  -1.467  -9.797
  513   HG22  THR  68          HG22      THR  68  -4.538  -2.657  -8.766
  514   HG23  THR  68          HG23      THR  68  -3.533  -3.198 -10.122
  515    H    VAL  69           HN       VAL  69  -3.113  -3.215  -5.557
  516    HA   VAL  69           HA       VAL  69  -1.239  -2.620  -3.556
  517    HB   VAL  69           HB       VAL  69  -2.052  -5.408  -4.302
  518   HG11  VAL  69          HG11      VAL  69  -1.697  -5.818  -1.926
  519   HG12  VAL  69          HG12      VAL  69  -1.351  -4.081  -1.723
  520   HG13  VAL  69          HG13      VAL  69  -0.283  -5.062  -2.716
  521   HG21  VAL  69          HG21      VAL  69  -3.597  -3.462  -2.582
  522   HG22  VAL  69          HG22      VAL  69  -3.948  -5.185  -2.796
  523   HG23  VAL  69          HG23      VAL  69  -4.079  -4.088  -4.166
  524    H    GLY  70           HN       GLY  70  -1.012  -4.748  -6.326
  525    HA2  GLY  70           HA2      GLY  70   1.521  -5.790  -5.702
  526    HA3  GLY  70           HA1      GLY  70   0.677  -5.915  -7.234
  527    H    ASP  71           HN       ASP  71   0.552  -2.844  -7.177
  528    HA   ASP  71           HA       ASP  71   3.030  -2.557  -8.620
  529    HB2  ASP  71           HB2      ASP  71   0.667  -1.322  -8.936
  530    HB3  ASP  71           HB1      ASP  71   1.454  -0.241  -7.785
  531    H    ALA  72           HN       ALA  72   1.470  -1.298  -5.703
  532    HA   ALA  72           HA       ALA  72   3.580   0.171  -4.609
  533    HB1  ALA  72           HB1      ALA  72   2.520  -0.300  -2.462
  534    HB2  ALA  72           HB2      ALA  72   1.546  -1.559  -3.213
  535    HB3  ALA  72           HB3      ALA  72   1.321   0.129  -3.681
  536    H    THR  73           HN       THR  73   2.687  -3.185  -4.159
  537    HA   THR  73           HA       THR  73   4.817  -4.017  -2.575
  538    HB   THR  73           HB       THR  73   3.192  -5.611  -4.572
  539    HG1  THR  73           HG1      THR  73   1.834  -4.632  -3.103
  540   HG21  THR  73          HG21      THR  73   3.667  -7.528  -3.122
  541   HG22  THR  73          HG22      THR  73   4.694  -6.511  -2.108
  542   HG23  THR  73          HG23      THR  73   5.165  -6.855  -3.778
  543    H    LYS  74           HN       LYS  74   4.586  -3.655  -6.067
  544    HA   LYS  74           HA       LYS  74   6.871  -5.176  -6.796
  545    HB2  LYS  74           HB2      LYS  74   4.829  -4.170  -8.187
  546    HB3  LYS  74           HB1      LYS  74   5.928  -2.820  -8.387
  547    HG2  LYS  74           HG2      LYS  74   6.118  -4.221 -10.295
  548    HG3  LYS  74           HG1      LYS  74   7.590  -4.419  -9.340
  549    HD2  LYS  74           HD2      LYS  74   6.783  -6.589 -10.130
  550    HD3  LYS  74           HD1      LYS  74   6.681  -6.482  -8.373
  551    HE2  LYS  74           HE2      LYS  74   4.667  -7.540  -9.242
  552    HE3  LYS  74           HE1      LYS  74   4.265  -5.970  -8.562
  553    HZ1  LYS  74           HZ1      LYS  74   4.660  -6.494 -11.463
  554    HZ2  LYS  74           HZ2      LYS  74   4.068  -5.059 -10.782
  555    HZ3  LYS  74           HZ3      LYS  74   3.156  -6.452 -10.711
  556    H    TYR  75           HN       TYR  75   6.187  -1.776  -6.168
  557    HA   TYR  75           HA       TYR  75   8.746  -0.745  -6.665
  558    HB2  TYR  75           HB2      TYR  75   6.700   0.571  -6.770
  559    HB3  TYR  75           HB1      TYR  75   6.374   0.249  -5.076
  560    HD1  TYR  75           HD1      TYR  75   8.739   1.910  -7.372
  561    HD2  TYR  75           HD2      TYR  75   7.228   1.695  -3.398
  562    HE1  TYR  75           HE1      TYR  75   9.974   3.934  -6.796
  563    HE2  TYR  75           HE2      TYR  75   8.457   3.689  -2.817
  564    HH   TYR  75           HH       TYR  75  10.387   4.862  -3.546
  565    H    ILE  76           HN       ILE  76   6.967  -1.625  -3.750
  566    HA   ILE  76           HA       ILE  76   8.868  -0.901  -1.898
  567    HB   ILE  76           HB       ILE  76   6.663  -2.964  -1.647
  568   HG12  ILE  76          HG12      ILE  76   6.912  -0.121  -0.667
  569   HG13  ILE  76          HG11      ILE  76   6.057  -0.620  -2.116
  570   HG21  ILE  76          HG21      ILE  76   6.964  -2.724   0.808
  571   HG22  ILE  76          HG22      ILE  76   8.431  -1.776   0.519
  572   HG23  ILE  76          HG23      ILE  76   8.360  -3.461   0.028
  573   HD11  ILE  76          HD11      ILE  76   4.560  -0.172  -0.319
  574   HD12  ILE  76          HD12      ILE  76   5.349  -1.384   0.707
  575   HD13  ILE  76          HD13      ILE  76   4.482  -1.874  -0.764
  576    H    LEU  77           HN       LEU  77   8.211  -4.169  -3.190
  577    HA   LEU  77           HA       LEU  77  10.053  -5.501  -1.644
  578    HB2  LEU  77           HB2      LEU  77   8.226  -6.454  -3.087
  579    HB3  LEU  77           HB1      LEU  77   9.305  -6.296  -4.454
  580    HG   LEU  77           HG       LEU  77  10.180  -7.854  -2.067
  581   HD11  LEU  77          HD11      LEU  77   7.935  -8.699  -2.664
  582   HD12  LEU  77          HD12      LEU  77   9.174  -9.870  -3.118
  583   HD13  LEU  77          HD13      LEU  77   8.435  -8.846  -4.348
  584   HD21  LEU  77          HD21      LEU  77  10.693  -8.136  -5.035
  585   HD22  LEU  77          HD22      LEU  77  11.397  -9.146  -3.772
  586   HD23  LEU  77          HD23      LEU  77  11.795  -7.430  -3.853
  587    H    ASP  78           HN       ASP  78  10.363  -3.777  -4.646
  588    HA   ASP  78           HA       ASP  78  12.989  -4.622  -5.409
  589    HB2  ASP  78           HB2      ASP  78  11.368  -3.923  -7.051
  590    HB3  ASP  78           HB1      ASP  78  11.222  -2.350  -6.289
  591    H    HIS  79           HN       HIS  79  11.670  -1.992  -3.536
  592    HA   HIS  79           HA       HIS  79  14.260  -0.626  -3.486
  593    HB2  HIS  79           HB2      HIS  79  11.477   0.258  -2.934
  594    HB3  HIS  79           HB1      HIS  79  12.789   1.194  -2.269
  595    HD1  HIS  79           HD1      HIS  79  13.682   2.984  -3.820
  596    HD2  HIS  79           HD2      HIS  79  11.611   0.008  -5.855
  597    HE1  HIS  79           HE1      HIS  79  13.534   3.765  -6.186
  598    HE2  HIS  79           HE2      HIS  79  12.701   1.720  -7.402
  599    H    GLN  80           HN       GLN  80  12.428  -2.660  -1.506
  600    HA   GLN  80           HA       GLN  80  13.061  -1.546   0.979
  601    HB2  GLN  80           HB2      GLN  80  12.295  -3.768   1.927
  602    HB3  GLN  80           HB1      GLN  80  11.202  -2.909   0.821
  603    HG2  GLN  80           HG2      GLN  80  11.868  -4.284  -0.910
  604    HG3  GLN  80           HG1      GLN  80  13.016  -5.163   0.091
  605   HE21  GLN  80          HE21      GLN  80   9.846  -4.218   1.306
  606   HE22  GLN  80          HE22      GLN  80   9.202  -5.788   1.351
  607    H    ALA  81           HN       ALA  81  14.745  -1.774   2.275
  608    HA   ALA  81           HA       ALA  81  16.749  -2.223   3.096
  609    HB1  ALA  81           HB1      ALA  81  15.629  -4.292   3.721
  610    HB2  ALA  81           HB2      ALA  81  17.347  -4.563   3.415
  611    HB3  ALA  81           HB3      ALA  81  16.144  -5.045   2.211
  612    H28  SXH 101          H28B      SXH 101  -6.527   9.977  -2.706
  613   H28A  SXH 101          H28A      SXH 101  -6.487   9.704  -0.983
  614    H30  SXH 101          H30C      SXH 101  -7.242  13.038  -1.925
  615   H30A  SXH 101          H30A      SXH 101  -6.248  12.534  -3.292
  616   H30B  SXH 101          H30B      SXH 101  -5.585  13.671  -2.103
  617    H31  SXH 101          H31A      SXH 101  -6.689  12.237   0.324
  618   H31A  SXH 101          H31C      SXH 101  -5.352  11.111   0.561
  619   H31B  SXH 101          H31B      SXH 101  -5.023  12.799   0.178
  620    H32  SXH 101          H32A      SXH 101  -3.573  12.152  -1.821
  621   HO33  SXH 101          H33A      SXH 101  -2.738  10.696  -0.859
  622   HN36  SXH 101          H36A      SXH 101  -2.525  10.055  -2.682
  623    H37  SXH 101          H37A      SXH 101  -1.738  10.244  -5.205
  624   H37A  SXH 101          H37B      SXH 101  -1.999   8.632  -4.539
  625    H38  SXH 101          H38A      SXH 101  -4.007  10.236  -6.100
  626   H38A  SXH 101          H38B      SXH 101  -2.990   8.945  -6.752
  627   HN41  SXH 101          H41A      SXH 101  -3.420   7.526  -4.125
  628    H42  SXH 101          H42A      SXH 101  -5.795   6.798  -3.312
  629   H42A  SXH 101          H42B      SXH 101  -5.823   6.158  -4.946
  630    H43  SXH 101          H43A      SXH 101  -5.112   4.398  -3.512
  631   H43A  SXH 101          H43B      SXH 101  -3.910   5.508  -2.804
  632    H2   SXH 101           H2A      SXH 101  -1.137   3.737  -3.469
  633    H2A  SXH 101           H2B      SXH 101  -1.034   2.574  -4.760
  634    H3   SXH 101           H3A      SXH 101  -1.595   0.807  -3.523
  635    H3A  SXH 101           H3B      SXH 101  -2.367   1.769  -2.239
  636    H4   SXH 101           H4B      SXH 101   0.558   1.469  -2.855
  637    H4A  SXH 101           H4A      SXH 101  -0.071   2.740  -1.808
  638    H5   SXH 101           H5A      SXH 101  -0.240  -0.242  -1.380
  639    H5A  SXH 101           H5B      SXH 101  -1.091   0.959  -0.386
  640    H6   SXH 101           H6C      SXH 101   1.053   0.288   0.609
  641    H6A  SXH 101           H6A      SXH 101   1.064   1.993   0.156
  642    H6B  SXH 101           H6B      SXH 101   1.890   0.808  -0.856
  Start of MODEL    8
    1    H1   ALA   1           HT1      ALA   1  12.998  -7.156   6.535
    2    H2   ALA   1           HT2      ALA   1  14.563  -6.912   5.906
    3    H3   ALA   1           HT3      ALA   1  13.744  -8.372   5.644
    4    HA   ALA   1           HA       ALA   1  12.773  -5.794   4.631
    5    HB1  ALA   1           HB1      ALA   1  13.584  -6.518   2.443
    6    HB2  ALA   1           HB2      ALA   1  14.312  -7.948   3.176
    7    HB3  ALA   1           HB3      ALA   1  14.917  -6.343   3.584
    8    H    ALA   2           HN       ALA   2  10.794  -5.939   3.788
    9    HA   ALA   2           HA       ALA   2   9.301  -8.351   4.210
   10    HB1  ALA   2           HB1      ALA   2   8.325  -6.151   4.653
   11    HB2  ALA   2           HB2      ALA   2   7.388  -7.040   3.450
   12    HB3  ALA   2           HB3      ALA   2   8.474  -5.745   2.943
   13    H    THR   3           HN       THR   3   7.874  -9.246   2.442
   14    HA   THR   3           HA       THR   3   9.402  -9.447  -0.028
   15    HB   THR   3           HB       THR   3   8.362 -11.785  -0.028
   16    HG1  THR   3           HG1      THR   3   8.255 -11.527   2.769
   17   HG21  THR   3          HG21      THR   3  10.748 -11.388   0.448
   18   HG22  THR   3          HG22      THR   3  10.096 -12.697   1.445
   19   HG23  THR   3          HG23      THR   3  10.338 -11.094   2.141
   20    H    GLN   4           HN       GLN   4   7.395 -11.020  -1.331
   21    HA   GLN   4           HA       GLN   4   5.649  -8.970  -2.199
   22    HB2  GLN   4           HB2      GLN   4   6.383 -11.237  -3.361
   23    HB3  GLN   4           HB1      GLN   4   4.995 -11.898  -2.519
   24    HG2  GLN   4           HG2      GLN   4   4.923  -9.641  -4.534
   25    HG3  GLN   4           HG1      GLN   4   4.506 -11.315  -4.860
   26   HE21  GLN   4          HE21      GLN   4   2.893 -11.727  -2.439
   27   HE22  GLN   4          HE22      GLN   4   1.541 -10.693  -2.563
   28    H    GLU   5           HN       GLU   5   5.129 -11.904  -0.296
   29    HA   GLU   5           HA       GLU   5   2.413 -11.442   0.279
   30    HB2  GLU   5           HB2      GLU   5   4.355 -13.022   1.967
   31    HB3  GLU   5           HB1      GLU   5   2.610 -13.194   1.924
   32    HG2  GLU   5           HG2      GLU   5   4.550 -13.879  -0.272
   33    HG3  GLU   5           HG1      GLU   5   3.642 -15.006   0.737
   34    H    GLU   6           HN       GLU   6   5.335 -10.558   1.922
   35    HA   GLU   6           HA       GLU   6   4.030  -9.757   4.336
   36    HB2  GLU   6           HB2      GLU   6   6.824  -9.180   3.427
   37    HB3  GLU   6           HB1      GLU   6   6.186  -8.750   4.999
   38    HG2  GLU   6           HG2      GLU   6   5.785 -11.082   5.510
   39    HG3  GLU   6           HG1      GLU   6   6.361 -11.549   3.911
   40    H    ILE   7           HN       ILE   7   5.301  -7.883   1.538
   41    HA   ILE   7           HA       ILE   7   4.569  -5.402   2.594
   42    HB   ILE   7           HB       ILE   7   4.728  -6.341  -0.279
   43   HG12  ILE   7          HG12      ILE   7   6.672  -4.731   1.362
   44   HG13  ILE   7          HG11      ILE   7   6.788  -6.470   1.124
   45   HG21  ILE   7          HG21      ILE   7   4.605  -3.535   0.840
   46   HG22  ILE   7          HG22      ILE   7   3.331  -4.332  -0.085
   47   HG23  ILE   7          HG23      ILE   7   4.878  -3.954  -0.853
   48   HD11  ILE   7          HD11      ILE   7   6.877  -4.381  -1.015
   49   HD12  ILE   7          HD12      ILE   7   6.975  -6.125  -1.262
   50   HD13  ILE   7          HD13      ILE   7   8.246  -5.287  -0.374
   51    H    VAL   8           HN       VAL   8   2.886  -7.693   0.569
   52    HA   VAL   8           HA       VAL   8   0.529  -6.215   0.162
   53    HB   VAL   8           HB       VAL   8   0.930  -9.229   0.182
   54   HG11  VAL   8          HG11      VAL   8  -1.551  -7.699  -0.653
   55   HG12  VAL   8          HG12      VAL   8  -1.428  -8.752   0.758
   56   HG13  VAL   8          HG13      VAL   8  -1.285  -9.431  -0.863
   57   HG21  VAL   8          HG21      VAL   8   2.014  -8.049  -1.614
   58   HG22  VAL   8          HG22      VAL   8   0.527  -7.175  -1.968
   59   HG23  VAL   8          HG23      VAL   8   0.606  -8.908  -2.254
   60    H    ALA   9           HN       ALA   9   1.050  -8.757   2.620
   61    HA   ALA   9           HA       ALA   9  -1.412  -8.331   3.930
   62    HB1  ALA   9           HB1      ALA   9   1.123  -9.529   5.043
   63    HB2  ALA   9           HB2      ALA   9  -0.114 -10.403   4.139
   64    HB3  ALA   9           HB3      ALA   9  -0.498  -9.706   5.715
   65    H    GLY  10           HN       GLY  10   1.679  -6.753   4.225
   66    HA2  GLY  10           HA2      GLY  10   1.249  -5.580   6.771
   67    HA3  GLY  10           HA1      GLY  10   2.467  -5.112   5.586
   68    H    LEU  11           HN       LEU  11   0.992  -4.435   3.438
   69    HA   LEU  11           HA       LEU  11  -0.056  -1.870   4.043
   70    HB2  LEU  11           HB2      LEU  11  -0.545  -3.650   1.648
   71    HB3  LEU  11           HB1      LEU  11  -1.000  -1.967   1.750
   72    HG   LEU  11           HG       LEU  11   1.831  -3.009   1.789
   73   HD11  LEU  11          HD11      LEU  11   0.259  -1.634  -0.386
   74   HD12  LEU  11          HD12      LEU  11   0.749  -3.328  -0.374
   75   HD13  LEU  11          HD13      LEU  11   1.971  -2.056  -0.456
   76   HD21  LEU  11          HD21      LEU  11   1.565  -0.921   3.027
   77   HD22  LEU  11          HD22      LEU  11   0.743  -0.200   1.644
   78   HD23  LEU  11          HD23      LEU  11   2.443  -0.657   1.522
   79    H    ALA  12           HN       ALA  12  -1.537  -4.975   3.339
   80    HA   ALA  12           HA       ALA  12  -4.183  -4.239   3.384
   81    HB1  ALA  12           HB1      ALA  12  -3.063  -6.853   4.325
   82    HB2  ALA  12           HB2      ALA  12  -3.412  -6.395   2.640
   83    HB3  ALA  12           HB3      ALA  12  -4.722  -6.498   3.826
   84    H    GLU  13           HN       GLU  13  -2.218  -5.392   6.159
   85    HA   GLU  13           HA       GLU  13  -4.400  -5.270   7.899
   86    HB2  GLU  13           HB2      GLU  13  -2.757  -5.365   9.773
   87    HB3  GLU  13           HB1      GLU  13  -2.529  -6.612   8.562
   88    HG2  GLU  13           HG2      GLU  13  -0.685  -5.360   7.608
   89    HG3  GLU  13           HG1      GLU  13  -0.929  -4.085   8.800
   90    H    ILE  14           HN       ILE  14  -2.292  -2.814   6.854
   91    HA   ILE  14           HA       ILE  14  -3.173  -0.851   8.782
   92    HB   ILE  14           HB       ILE  14  -1.991  -0.365   6.021
   93   HG12  ILE  14          HG12      ILE  14  -0.487  -0.486   8.628
   94   HG13  ILE  14          HG11      ILE  14  -0.673  -1.894   7.584
   95   HG21  ILE  14          HG21      ILE  14  -2.039   1.293   8.563
   96   HG22  ILE  14          HG22      ILE  14  -3.015   1.600   7.129
   97   HG23  ILE  14          HG23      ILE  14  -1.259   1.760   7.052
   98   HD11  ILE  14          HD11      ILE  14   1.440  -0.796   7.230
   99   HD12  ILE  14          HD12      ILE  14   0.604   0.711   6.803
  100   HD13  ILE  14          HD13      ILE  14   0.412  -0.740   5.798
  101    H    VAL  15           HN       VAL  15  -3.935  -1.505   5.351
  102    HA   VAL  15           HA       VAL  15  -5.998   0.274   4.858
  103    HB   VAL  15           HB       VAL  15  -5.772  -2.590   3.878
  104   HG11  VAL  15          HG11      VAL  15  -7.089  -1.840   1.947
  105   HG12  VAL  15          HG12      VAL  15  -7.247  -0.244   2.663
  106   HG13  VAL  15          HG13      VAL  15  -7.994  -1.638   3.440
  107   HG21  VAL  15          HG21      VAL  15  -4.692  -0.020   2.748
  108   HG22  VAL  15          HG22      VAL  15  -4.703  -1.615   1.954
  109   HG23  VAL  15          HG23      VAL  15  -3.781  -1.380   3.426
  110    H    ASN  16           HN       ASN  16  -6.108  -2.917   6.270
  111    HA   ASN  16           HA       ASN  16  -8.795  -3.318   6.800
  112    HB2  ASN  16           HB2      ASN  16  -6.280  -4.190   8.090
  113    HB3  ASN  16           HB1      ASN  16  -7.744  -4.414   9.021
  114   HD21  ASN  16          HD21      ASN  16  -6.142  -5.201   6.023
  115   HD22  ASN  16          HD22      ASN  16  -7.029  -6.651   5.791
  116    H    GLU  17           HN       GLU  17  -6.518  -1.337   8.616
  117    HA   GLU  17           HA       GLU  17  -8.329  -0.887  10.775
  118    HB2  GLU  17           HB2      GLU  17  -5.776   0.507  10.023
  119    HB3  GLU  17           HB1      GLU  17  -6.656   0.741  11.524
  120    HG2  GLU  17           HG2      GLU  17  -6.244  -1.568  12.141
  121    HG3  GLU  17           HG1      GLU  17  -5.400  -1.834  10.612
  122    H    ILE  18           HN       ILE  18  -7.167   1.026   8.021
  123    HA   ILE  18           HA       ILE  18  -8.856   3.250   8.920
  124    HB   ILE  18           HB       ILE  18  -7.225   3.252   6.390
  125   HG12  ILE  18          HG12      ILE  18  -6.251   4.105   9.127
  126   HG13  ILE  18          HG11      ILE  18  -5.788   2.581   8.361
  127   HG21  ILE  18          HG21      ILE  18  -8.141   5.397   8.317
  128   HG22  ILE  18          HG22      ILE  18  -8.834   5.061   6.727
  129   HG23  ILE  18          HG23      ILE  18  -7.183   5.666   6.862
  130   HD11  ILE  18          HD11      ILE  18  -5.278   5.345   7.306
  131   HD12  ILE  18          HD12      ILE  18  -4.800   3.852   6.527
  132   HD13  ILE  18          HD13      ILE  18  -4.087   4.300   8.087
  133    H    ALA  19           HN       ALA  19  -8.424   1.482   5.815
  134    HA   ALA  19           HA       ALA  19 -10.931   2.515   4.828
  135    HB1  ALA  19           HB1      ALA  19 -10.501   1.181   2.845
  136    HB2  ALA  19           HB2      ALA  19  -9.182   0.354   3.668
  137    HB3  ALA  19           HB3      ALA  19  -9.057   2.078   3.309
  138    H    GLY  20           HN       GLY  20  -9.787  -0.638   5.923
  139    HA2  GLY  20           HA2      GLY  20 -11.190  -2.119   7.119
  140    HA3  GLY  20           HA1      GLY  20 -12.589  -1.409   6.317
  141    H    ILE  21           HN       ILE  21  -9.891  -2.081   4.246
  142    HA   ILE  21           HA       ILE  21 -11.362  -4.196   2.983
  143    HB   ILE  21           HB       ILE  21  -8.582  -3.137   2.421
  144   HG12  ILE  21          HG12      ILE  21 -10.252  -1.479   2.037
  145   HG13  ILE  21          HG11      ILE  21  -9.739  -2.117   0.474
  146   HG21  ILE  21          HG21      ILE  21  -8.885  -5.469   1.681
  147   HG22  ILE  21          HG22      ILE  21  -8.747  -4.369   0.318
  148   HG23  ILE  21          HG23      ILE  21 -10.332  -4.993   0.790
  149   HD11  ILE  21          HD11      ILE  21 -11.655  -3.592   0.452
  150   HD12  ILE  21          HD12      ILE  21 -12.149  -1.885   0.542
  151   HD13  ILE  21          HD13      ILE  21 -12.190  -2.919   1.988
  152    HA   PRO  22           HA       PRO  22  -9.572  -7.065   5.909
  153    HB2  PRO  22           HB2      PRO  22 -10.528  -9.101   3.984
  154    HB3  PRO  22           HB1      PRO  22 -10.909  -8.908   5.698
  155    HG2  PRO  22           HG2      PRO  22 -12.695  -8.312   3.839
  156    HG3  PRO  22           HG1      PRO  22 -12.532  -7.316   5.298
  157    HD2  PRO  22           HD2      PRO  22 -11.516  -6.795   2.530
  158    HD3  PRO  22           HD1      PRO  22 -12.283  -5.676   3.680
  159    H    VAL  23           HN       VAL  23  -8.067  -8.723   6.079
  160    HA   VAL  23           HA       VAL  23  -5.781  -7.880   4.822
  161    HB   VAL  23           HB       VAL  23  -4.554  -9.781   5.895
  162   HG11  VAL  23          HG11      VAL  23  -6.433  -8.255   7.681
  163   HG12  VAL  23          HG12      VAL  23  -4.869  -7.702   7.082
  164   HG13  VAL  23          HG13      VAL  23  -4.955  -9.066   8.198
  165   HG21  VAL  23          HG21      VAL  23  -6.274 -11.497   5.801
  166   HG22  VAL  23          HG22      VAL  23  -7.298 -10.558   6.883
  167   HG23  VAL  23          HG23      VAL  23  -5.778 -11.230   7.475
  168    H    GLU  24           HN       GLU  24  -7.852 -10.590   3.978
  169    HA   GLU  24           HA       GLU  24  -5.811 -11.394   2.058
  170    HB2  GLU  24           HB2      GLU  24  -6.937 -13.493   1.771
  171    HB3  GLU  24           HB1      GLU  24  -6.681 -13.185   3.479
  172    HG2  GLU  24           HG2      GLU  24  -9.021 -12.548   3.711
  173    HG3  GLU  24           HG1      GLU  24  -9.267 -12.838   1.985
  174    H    ASP  25           HN       ASP  25  -8.349  -9.269   1.959
  175    HA   ASP  25           HA       ASP  25  -9.203 -10.202  -0.649
  176    HB2  ASP  25           HB2      ASP  25 -10.803  -9.054   1.011
  177    HB3  ASP  25           HB1      ASP  25  -9.977  -7.550   0.599
  178    H    VAL  26           HN       VAL  26  -7.173  -7.781   0.848
  179    HA   VAL  26           HA       VAL  26  -6.268  -6.425  -1.394
  180    HB   VAL  26           HB       VAL  26  -4.946  -7.122   1.252
  181   HG11  VAL  26          HG11      VAL  26  -3.354  -5.318   0.797
  182   HG12  VAL  26          HG12      VAL  26  -4.011  -5.138  -0.834
  183   HG13  VAL  26          HG13      VAL  26  -3.187  -6.629  -0.373
  184   HG21  VAL  26          HG21      VAL  26  -5.472  -4.780   1.819
  185   HG22  VAL  26          HG22      VAL  26  -6.919  -5.727   1.455
  186   HG23  VAL  26          HG23      VAL  26  -6.272  -4.617   0.256
  187    H    LYS  27           HN       LYS  27  -5.855  -7.763  -3.053
  188    HA   LYS  27           HA       LYS  27  -3.539  -9.529  -2.785
  189    HB2  LYS  27           HB2      LYS  27  -5.839  -9.670  -4.733
  190    HB3  LYS  27           HB1      LYS  27  -4.433 -10.750  -4.778
  191    HG2  LYS  27           HG2      LYS  27  -5.085 -11.428  -2.443
  192    HG3  LYS  27           HG1      LYS  27  -6.574 -10.523  -2.688
  193    HD2  LYS  27           HD2      LYS  27  -7.092 -11.946  -4.617
  194    HD3  LYS  27           HD1      LYS  27  -5.611 -12.864  -4.312
  195    HE2  LYS  27           HE2      LYS  27  -7.979 -12.577  -2.474
  196    HE3  LYS  27           HE1      LYS  27  -7.485 -14.027  -3.343
  197    HZ1  LYS  27           HZ1      LYS  27  -5.432 -14.077  -1.978
  198    HZ2  LYS  27           HZ2      LYS  27  -6.824 -14.123  -1.052
  199    HZ3  LYS  27           HZ3      LYS  27  -5.958 -12.688  -1.161
  200    H    LEU  28           HN       LEU  28  -2.285  -9.530  -4.974
  201    HA   LEU  28           HA       LEU  28  -1.455  -6.839  -5.016
  202    HB2  LEU  28           HB2      LEU  28   0.422  -7.455  -6.064
  203    HB3  LEU  28           HB1      LEU  28  -0.104  -8.997  -5.429
  204    HG   LEU  28           HG       LEU  28  -0.791  -8.224  -8.228
  205   HD11  LEU  28          HD11      LEU  28   1.514  -7.785  -7.892
  206   HD12  LEU  28          HD12      LEU  28   1.324  -9.210  -8.935
  207   HD13  LEU  28          HD13      LEU  28   1.786  -9.391  -7.221
  208   HD21  LEU  28          HD21      LEU  28  -1.818 -10.242  -7.266
  209   HD22  LEU  28          HD22      LEU  28  -0.217 -10.869  -6.874
  210   HD23  LEU  28          HD23      LEU  28  -0.691 -10.653  -8.559
  211    H    ASP  29           HN       ASP  29  -3.567  -8.451  -7.282
  212    HA   ASP  29           HA       ASP  29  -3.099  -6.213  -9.079
  213    HB2  ASP  29           HB2      ASP  29  -2.838  -8.452 -10.049
  214    HB3  ASP  29           HB1      ASP  29  -4.482  -8.852  -9.574
  215    H    LYS  30           HN       LYS  30  -4.645  -6.392  -6.507
  216    HA   LYS  30           HA       LYS  30  -7.261  -5.639  -7.476
  217    HB2  LYS  30           HB2      LYS  30  -6.270  -5.618  -4.630
  218    HB3  LYS  30           HB1      LYS  30  -7.895  -5.497  -5.178
  219    HG2  LYS  30           HG2      LYS  30  -6.183  -7.954  -5.298
  220    HG3  LYS  30           HG1      LYS  30  -7.532  -7.659  -4.203
  221    HD2  LYS  30           HD2      LYS  30  -8.769  -7.347  -6.552
  222    HD3  LYS  30           HD1      LYS  30  -7.487  -8.459  -7.044
  223    HE2  LYS  30           HE2      LYS  30  -9.475  -9.687  -6.362
  224    HE3  LYS  30           HE1      LYS  30  -8.141  -9.992  -5.244
  225    HZ1  LYS  30           HZ1      LYS  30 -10.225  -7.944  -4.772
  226    HZ2  LYS  30           HZ2      LYS  30  -9.118  -8.560  -3.626
  227    HZ3  LYS  30           HZ3      LYS  30 -10.365  -9.520  -4.200
  228    H    SER  31           HN       SER  31  -7.241  -3.690  -8.160
  229    HA   SER  31           HA       SER  31  -5.512  -1.614  -7.328
  230    HB2  SER  31           HB2      SER  31  -8.270  -1.232  -8.495
  231    HB3  SER  31           HB1      SER  31  -6.827  -0.247  -8.742
  232    HG   SER  31           HG       SER  31  -7.631  -2.609  -9.952
  233    H    PHE  32           HN       PHE  32  -5.607  -1.160  -5.147
  234    HA   PHE  32           HA       PHE  32  -7.486  -1.386  -3.272
  235    HB2  PHE  32           HB2      PHE  32  -5.551   0.826  -3.724
  236    HB3  PHE  32           HB1      PHE  32  -6.648   0.902  -2.348
  237    HD1  PHE  32           HD1      PHE  32  -6.569  -1.037  -0.701
  238    HD2  PHE  32           HD2      PHE  32  -3.481  -0.358  -3.592
  239    HE1  PHE  32           HE1      PHE  32  -5.011  -2.375   0.636
  240    HE2  PHE  32           HE2      PHE  32  -1.966  -1.642  -2.290
  241    HZ   PHE  32           HZ       PHE  32  -2.685  -2.684  -0.143
  242    H    THR  33           HN       THR  33  -7.194   1.722  -5.032
  243    HA   THR  33           HA       THR  33  -9.755   2.697  -4.380
  244    HB   THR  33           HB       THR  33  -9.039   4.319  -6.287
  245    HG1  THR  33           HG1      THR  33  -7.431   2.927  -7.153
  246   HG21  THR  33          HG21      THR  33  -7.400   4.022  -3.765
  247   HG22  THR  33          HG22      THR  33  -8.941   4.871  -3.901
  248   HG23  THR  33          HG23      THR  33  -7.516   5.483  -4.743
  249    H    ASP  34           HN       ASP  34 -10.341   0.213  -5.589
  250    HA   ASP  34           HA       ASP  34 -12.084   0.882  -7.743
  251    HB2  ASP  34           HB2      ASP  34 -10.059   1.083  -9.073
  252    HB3  ASP  34           HB1      ASP  34  -9.502  -0.489  -8.535
  253    H    ASP  35           HN       ASP  35 -10.030  -1.759  -6.717
  254    HA   ASP  35           HA       ASP  35 -11.993  -3.825  -7.283
  255    HB2  ASP  35           HB2      ASP  35  -9.544  -4.017  -7.602
  256    HB3  ASP  35           HB1      ASP  35  -9.338  -4.076  -5.886
  257    H    LEU  36           HN       LEU  36 -10.093  -2.916  -4.557
  258    HA   LEU  36           HA       LEU  36 -11.381  -4.579  -2.692
  259    HB2  LEU  36           HB2      LEU  36  -9.614  -2.189  -2.287
  260    HB3  LEU  36           HB1      LEU  36 -10.002  -3.408  -1.088
  261    HG   LEU  36           HG       LEU  36  -8.408  -3.842  -3.620
  262   HD11  LEU  36          HD11      LEU  36  -6.617  -4.349  -2.120
  263   HD12  LEU  36          HD12      LEU  36  -7.645  -3.868  -0.759
  264   HD13  LEU  36          HD13      LEU  36  -7.180  -2.685  -1.980
  265   HD21  LEU  36          HD21      LEU  36  -9.799  -5.757  -3.117
  266   HD22  LEU  36          HD22      LEU  36  -9.179  -5.770  -1.466
  267   HD23  LEU  36          HD23      LEU  36  -8.093  -6.093  -2.820
  268    H    ASP  37           HN       ASP  37 -11.007  -1.239  -2.342
  269    HA   ASP  37           HA       ASP  37 -13.051   0.323  -2.465
  270    HB2  ASP  37           HB2      ASP  37 -14.553  -1.630  -1.438
  271    HB3  ASP  37           HB1      ASP  37 -13.853  -1.118   0.076
  272    H    VAL  38           HN       VAL  38 -10.792   1.094  -2.012
  273    HA   VAL  38           HA       VAL  38 -10.291   1.222   0.848
  274    HB   VAL  38           HB       VAL  38  -8.492   0.703  -0.922
  275   HG11  VAL  38          HG11      VAL  38  -7.256   2.635  -1.786
  276   HG12  VAL  38          HG12      VAL  38  -8.554   3.682  -1.206
  277   HG13  VAL  38          HG13      VAL  38  -8.880   2.475  -2.453
  278   HG21  VAL  38          HG21      VAL  38  -7.941   0.989   1.398
  279   HG22  VAL  38          HG22      VAL  38  -7.930   2.744   1.214
  280   HG23  VAL  38          HG23      VAL  38  -6.714   1.762   0.397
  281    H    ASP  39           HN       ASP  39  -9.445   3.509   1.549
  282    HA   ASP  39           HA       ASP  39 -11.699   5.206   0.943
  283    HB2  ASP  39           HB2      ASP  39 -11.381   4.628   3.250
  284    HB3  ASP  39           HB1      ASP  39  -9.683   5.064   3.182
  285    H    SER  40           HN       SER  40  -8.482   4.745   0.113
  286    HA   SER  40           HA       SER  40  -6.865   5.823  -0.901
  287    HB2  SER  40           HB2      SER  40  -9.003   6.506  -2.281
  288    HB3  SER  40           HB1      SER  40  -8.663   8.114  -1.632
  289    H    LEU  41           HN       LEU  41  -8.683   7.767   1.334
  290    HA   LEU  41           HA       LEU  41  -6.533   9.667   1.796
  291    HB2  LEU  41           HB2      LEU  41  -8.997   9.190   3.482
  292    HB3  LEU  41           HB1      LEU  41  -8.008  10.636   3.430
  293    HG   LEU  41           HG       LEU  41  -9.800   9.635   1.243
  294   HD11  LEU  41          HD11      LEU  41 -11.156  11.640   1.770
  295   HD12  LEU  41          HD12      LEU  41 -10.076  11.999   3.115
  296   HD13  LEU  41          HD13      LEU  41 -11.056  10.532   3.137
  297   HD21  LEU  41          HD21      LEU  41  -8.162  12.171   1.405
  298   HD22  LEU  41          HD22      LEU  41  -9.330  11.792   0.138
  299   HD23  LEU  41          HD23      LEU  41  -7.877  10.808   0.323
  300    H    SER  42           HN       SER  42  -7.789   6.671   2.800
  301    HA   SER  42           HA       SER  42  -6.595   6.256   5.251
  302    HB2  SER  42           HB2      SER  42  -6.821   3.851   4.524
  303    HB3  SER  42           HB1      SER  42  -8.316   4.793   4.413
  304    HG   SER  42           HG       SER  42  -6.543   4.010   2.357
  305    H    MET  43           HN       MET  43  -5.537   6.200   1.910
  306    HA   MET  43           HA       MET  43  -3.348   4.472   2.261
  307    HB2  MET  43           HB2      MET  43  -4.610   5.300   0.104
  308    HB3  MET  43           HB1      MET  43  -3.342   6.522   0.125
  309    HG2  MET  43           HG2      MET  43  -2.613   4.734  -1.236
  310    HG3  MET  43           HG1      MET  43  -1.676   4.693   0.264
  311    HE1  MET  43           HE1      MET  43  -5.382   3.690  -0.286
  312    HE2  MET  43           HE2      MET  43  -5.253   1.980  -0.690
  313    HE3  MET  43           HE3      MET  43  -4.578   3.208  -1.770
  314    H    VAL  44           HN       VAL  44  -3.864   7.878   2.544
  315    HA   VAL  44           HA       VAL  44  -1.276   8.797   2.495
  316    HB   VAL  44           HB       VAL  44  -3.608   9.792   4.169
  317   HG11  VAL  44          HG11      VAL  44  -1.077  11.239   3.393
  318   HG12  VAL  44          HG12      VAL  44  -1.509  10.702   5.015
  319   HG13  VAL  44          HG13      VAL  44  -2.462  11.955   4.217
  320   HG21  VAL  44          HG21      VAL  44  -4.099   9.728   1.784
  321   HG22  VAL  44          HG22      VAL  44  -2.628  10.638   1.441
  322   HG23  VAL  44          HG23      VAL  44  -3.945  11.396   2.338
  323    H    GLU  45           HN       GLU  45  -3.202   7.536   5.206
  324    HA   GLU  45           HA       GLU  45  -1.002   7.753   7.025
  325    HB2  GLU  45           HB2      GLU  45  -3.764   6.565   7.344
  326    HB3  GLU  45           HB1      GLU  45  -2.601   6.801   8.651
  327    HG2  GLU  45           HG2      GLU  45  -2.644   9.200   8.276
  328    HG3  GLU  45           HG1      GLU  45  -3.756   8.984   6.933
  329    H    VAL  46           HN       VAL  46  -2.494   5.309   4.989
  330    HA   VAL  46           HA       VAL  46  -1.179   3.073   6.079
  331    HB   VAL  46           HB       VAL  46  -2.057   3.487   3.157
  332   HG11  VAL  46          HG11      VAL  46  -2.044   1.073   2.945
  333   HG12  VAL  46          HG12      VAL  46  -1.422   0.922   4.578
  334   HG13  VAL  46          HG13      VAL  46  -0.412   1.665   3.314
  335   HG21  VAL  46          HG21      VAL  46  -3.978   3.565   4.623
  336   HG22  VAL  46          HG22      VAL  46  -3.444   2.100   5.442
  337   HG23  VAL  46          HG23      VAL  46  -3.973   2.012   3.767
  338    H    VAL  47           HN       VAL  47  -0.166   5.604   3.930
  339    HA   VAL  47           HA       VAL  47   2.332   4.638   2.987
  340    HB   VAL  47           HB       VAL  47   1.166   7.407   3.438
  341   HG11  VAL  47          HG11      VAL  47   3.590   7.583   3.710
  342   HG12  VAL  47          HG12      VAL  47   3.056   8.334   2.204
  343   HG13  VAL  47          HG13      VAL  47   3.824   6.749   2.175
  344   HG21  VAL  47          HG21      VAL  47   1.835   5.870   0.953
  345   HG22  VAL  47          HG22      VAL  47   1.159   7.497   1.015
  346   HG23  VAL  47          HG23      VAL  47   0.226   6.127   1.623
  347    H    VAL  48           HN       VAL  48   1.756   6.949   5.596
  348    HA   VAL  48           HA       VAL  48   4.412   6.893   6.428
  349    HB   VAL  48           HB       VAL  48   1.951   7.602   8.063
  350   HG11  VAL  48          HG11      VAL  48   3.475   8.878   9.504
  351   HG12  VAL  48          HG12      VAL  48   4.856   8.282   8.581
  352   HG13  VAL  48          HG13      VAL  48   3.883   7.161   9.531
  353   HG21  VAL  48          HG21      VAL  48   3.879   9.241   6.466
  354   HG22  VAL  48          HG22      VAL  48   2.564   9.904   7.451
  355   HG23  VAL  48          HG23      VAL  48   2.208   8.893   6.039
  356    H    ALA  49           HN       ALA  49   1.820   4.778   7.132
  357    HA   ALA  49           HA       ALA  49   3.114   3.429   9.309
  358    HB1  ALA  49           HB1      ALA  49   0.814   2.548   7.554
  359    HB2  ALA  49           HB2      ALA  49   0.670   3.428   9.071
  360    HB3  ALA  49           HB3      ALA  49   1.304   1.782   9.064
  361    H    ALA  50           HN       ALA  50   2.671   2.813   5.851
  362    HA   ALA  50           HA       ALA  50   4.032   0.358   5.712
  363    HB1  ALA  50           HB1      ALA  50   2.488   1.126   3.974
  364    HB2  ALA  50           HB2      ALA  50   4.070   0.714   3.310
  365    HB3  ALA  50           HB3      ALA  50   3.625   2.405   3.539
  366    H    GLU  51           HN       GLU  51   5.080   3.672   5.222
  367    HA   GLU  51           HA       GLU  51   7.630   3.166   4.270
  368    HB2  GLU  51           HB2      GLU  51   6.848   5.452   6.069
  369    HB3  GLU  51           HB1      GLU  51   8.263   5.399   5.050
  370    HG2  GLU  51           HG2      GLU  51   6.899   5.487   3.056
  371    HG3  GLU  51           HG1      GLU  51   5.427   5.405   4.025
  372    H    GLU  52           HN       GLU  52   6.329   3.410   7.463
  373    HA   GLU  52           HA       GLU  52   8.854   3.320   8.817
  374    HB2  GLU  52           HB2      GLU  52   6.015   3.301   9.749
  375    HB3  GLU  52           HB1      GLU  52   7.315   2.937  10.867
  376    HG2  GLU  52           HG2      GLU  52   7.105   5.461   9.247
  377    HG3  GLU  52           HG1      GLU  52   6.566   5.289  10.918
  378    H    ARG  53           HN       ARG  53   6.506   1.002   7.819
  379    HA   ARG  53           HA       ARG  53   7.753  -0.991   9.488
  380    HB2  ARG  53           HB2      ARG  53   6.106  -2.562   8.672
  381    HB3  ARG  53           HB1      ARG  53   5.358  -1.082   9.280
  382    HG2  ARG  53           HG2      ARG  53   4.749  -0.397   7.156
  383    HG3  ARG  53           HG1      ARG  53   5.826  -1.553   6.363
  384    HD2  ARG  53           HD2      ARG  53   3.468  -2.239   6.237
  385    HD3  ARG  53           HD1      ARG  53   4.455  -3.396   7.123
  386    HE   ARG  53           HE       ARG  53   2.780  -1.398   8.503
  387   HH11  ARG  53          HH11      ARG  53   3.803  -4.775   8.020
  388   HH12  ARG  53          HH12      ARG  53   2.881  -5.347   9.334
  389   HH21  ARG  53          HH21      ARG  53   1.424  -2.253  10.186
  390   HH22  ARG  53          HH22      ARG  53   1.411  -3.933  10.499
  391    H    PHE  54           HN       PHE  54   7.668  -0.162   6.090
  392    HA   PHE  54           HA       PHE  54   9.073  -2.600   5.412
  393    HB2  PHE  54           HB2      PHE  54   8.115  -0.365   3.639
  394    HB3  PHE  54           HB1      PHE  54   8.878  -1.846   3.081
  395    HD1  PHE  54           HD1      PHE  54   7.654  -3.941   4.564
  396    HD2  PHE  54           HD2      PHE  54   5.906  -0.379   3.062
  397    HE1  PHE  54           HE1      PHE  54   5.464  -5.047   4.492
  398    HE2  PHE  54           HE2      PHE  54   3.715  -1.475   2.993
  399    HZ   PHE  54           HZ       PHE  54   3.490  -3.809   3.708
  400    H    ASP  55           HN       ASP  55   9.885   0.659   6.132
  401    HA   ASP  55           HA       ASP  55  11.823   1.813   6.167
  402    HB2  ASP  55           HB2      ASP  55  12.806  -0.225   7.199
  403    HB3  ASP  55           HB1      ASP  55  13.129  -0.887   5.608
  404    H    VAL  56           HN       VAL  56  10.339   1.094   3.690
  405    HA   VAL  56           HA       VAL  56  12.408   1.545   1.653
  406    HB   VAL  56           HB       VAL  56   9.518   0.678   1.409
  407   HG11  VAL  56          HG11      VAL  56  10.054   2.236  -0.448
  408   HG12  VAL  56          HG12      VAL  56   9.874   0.575  -1.014
  409   HG13  VAL  56          HG13      VAL  56  11.483   1.271  -0.819
  410   HG21  VAL  56          HG21      VAL  56  11.092  -0.968   2.064
  411   HG22  VAL  56          HG22      VAL  56  12.104  -0.507   0.669
  412   HG23  VAL  56          HG23      VAL  56  10.504  -1.244   0.410
  413    H    LYS  57           HN       LYS  57   9.326   2.730   2.636
  414    HA   LYS  57           HA       LYS  57   8.402   4.756   2.760
  415    HB2  LYS  57           HB2      LYS  57  10.467   5.630   3.610
  416    HB3  LYS  57           HB1      LYS  57  11.149   5.747   2.003
  417    HG2  LYS  57           HG2      LYS  57   9.651   7.549   1.441
  418    HG3  LYS  57           HG1      LYS  57   8.814   7.372   2.985
  419    HD2  LYS  57           HD2      LYS  57  11.751   8.021   2.749
  420    HD3  LYS  57           HD1      LYS  57  10.494   9.250   2.885
  421    HE2  LYS  57           HE2      LYS  57   9.832   8.396   5.049
  422    HE3  LYS  57           HE1      LYS  57  10.953   7.048   4.921
  423    HZ1  LYS  57           HZ1      LYS  57  12.783   8.561   4.984
  424    HZ2  LYS  57           HZ2      LYS  57  11.768   8.880   6.319
  425    HZ3  LYS  57           HZ3      LYS  57  11.744   9.893   4.966
  426    H    ILE  58           HN       ILE  58   6.846   5.100   1.496
  427    HA   ILE  58           HA       ILE  58   7.298   5.688  -1.335
  428    HB   ILE  58           HB       ILE  58   4.731   4.336  -0.464
  429   HG12  ILE  58          HG12      ILE  58   5.729   2.118  -1.343
  430   HG13  ILE  58          HG11      ILE  58   7.300   2.843  -1.025
  431   HG21  ILE  58          HG21      ILE  58   4.628   3.587  -2.766
  432   HG22  ILE  58          HG22      ILE  58   6.122   4.449  -3.111
  433   HG23  ILE  58          HG23      ILE  58   4.684   5.324  -2.592
  434   HD11  ILE  58          HD11      ILE  58   6.617   1.417   0.814
  435   HD12  ILE  58          HD12      ILE  58   5.139   2.373   1.008
  436   HD13  ILE  58          HD13      ILE  58   6.711   3.114   1.312
  437    HA   PRO  59           HA       PRO  59   5.173   9.104   0.900
  438    HB2  PRO  59           HB2      PRO  59   5.535  10.773  -1.293
  439    HB3  PRO  59           HB1      PRO  59   6.657  10.657   0.071
  440    HG2  PRO  59           HG2      PRO  59   6.755   9.285  -2.590
  441    HG3  PRO  59           HG1      PRO  59   8.085  10.046  -1.679
  442    HD2  PRO  59           HD2      PRO  59   7.786   7.428  -1.729
  443    HD3  PRO  59           HD1      PRO  59   8.199   8.241  -0.201
  444    H    ASP  60           HN       ASP  60   3.022   9.736   0.622
  445    HA   ASP  60           HA       ASP  60   1.340   8.203  -0.905
  446    HB2  ASP  60           HB2      ASP  60  -0.466   9.864  -0.440
  447    HB3  ASP  60           HB1      ASP  60   0.427   9.392   0.986
  448    H    ASP  61           HN       ASP  61   2.761  11.260  -1.849
  449    HA   ASP  61           HA       ASP  61   1.295  11.695  -4.215
  450    HB2  ASP  61           HB2      ASP  61   2.702  13.426  -3.272
  451    HB3  ASP  61           HB1      ASP  61   4.133  12.430  -3.496
  452    H    ASP  62           HN       ASP  62   3.778   9.486  -3.505
  453    HA   ASP  62           HA       ASP  62   4.407   8.923  -6.333
  454    HB2  ASP  62           HB2      ASP  62   6.247   8.994  -4.461
  455    HB3  ASP  62           HB1      ASP  62   5.606   7.425  -3.978
  456    H    VAL  63           HN       VAL  63   3.083   7.621  -3.462
  457    HA   VAL  63           HA       VAL  63   2.296   5.068  -4.045
  458    HB   VAL  63           HB       VAL  63   1.155   7.215  -2.286
  459   HG11  VAL  63          HG11      VAL  63  -0.040   4.454  -2.559
  460   HG12  VAL  63          HG12      VAL  63  -0.785   5.964  -3.088
  461   HG13  VAL  63          HG13      VAL  63  -0.489   5.692  -1.369
  462   HG21  VAL  63          HG21      VAL  63   2.329   4.506  -1.797
  463   HG22  VAL  63          HG22      VAL  63   1.799   5.644  -0.557
  464   HG23  VAL  63          HG23      VAL  63   3.147   6.056  -1.618
  465    H    LYS  64           HN       LYS  64   0.677   8.049  -4.993
  466    HA   LYS  64           HA       LYS  64  -1.583   6.677  -5.853
  467    HB2  LYS  64           HB2      LYS  64  -2.269   8.741  -7.052
  468    HB3  LYS  64           HB1      LYS  64  -1.839   8.985  -5.364
  469    HG2  LYS  64           HG2      LYS  64   0.262   9.900  -5.958
  470    HG3  LYS  64           HG1      LYS  64   0.019   9.480  -7.657
  471    HD2  LYS  64           HD2      LYS  64  -1.813  10.929  -7.806
  472    HD3  LYS  64           HD1      LYS  64  -1.715  11.325  -6.076
  473    HE2  LYS  64           HE2      LYS  64   0.504  12.252  -6.425
  474    HE3  LYS  64           HE1      LYS  64   0.422  11.872  -8.145
  475    HZ1  LYS  64           HZ1      LYS  64  -0.090  14.219  -7.728
  476    HZ2  LYS  64           HZ2      LYS  64  -1.362  13.794  -6.714
  477    HZ3  LYS  64           HZ3      LYS  64  -1.430  13.419  -8.368
  478    H    ASN  65           HN       ASN  65   1.402   6.723  -7.202
  479    HA   ASN  65           HA       ASN  65   0.376   6.317  -9.899
  480    HB2  ASN  65           HB2      ASN  65   3.237   6.498  -8.909
  481    HB3  ASN  65           HB1      ASN  65   2.775   6.227 -10.588
  482   HD21  ASN  65          HD21      ASN  65   2.994   8.551  -8.021
  483   HD22  ASN  65          HD22      ASN  65   2.626   9.934  -8.985
  484    H    LEU  66           HN       LEU  66   0.685   4.656  -7.194
  485    HA   LEU  66           HA       LEU  66   1.557   2.133  -8.379
  486    HB2  LEU  66           HB2      LEU  66   0.473   2.643  -5.609
  487    HB3  LEU  66           HB1      LEU  66   1.309   1.189  -6.100
  488    HG   LEU  66           HG       LEU  66   2.557   3.923  -5.897
  489   HD11  LEU  66          HD11      LEU  66   1.925   3.090  -3.719
  490   HD12  LEU  66          HD12      LEU  66   3.677   3.037  -3.911
  491   HD13  LEU  66          HD13      LEU  66   2.730   1.556  -4.050
  492   HD21  LEU  66          HD21      LEU  66   3.687   2.514  -7.526
  493   HD22  LEU  66          HD22      LEU  66   3.809   1.218  -6.337
  494   HD23  LEU  66          HD23      LEU  66   4.687   2.727  -6.089
  495    H    LYS  67           HN       LYS  67  -0.988   3.273  -6.811
  496    HA   LYS  67           HA       LYS  67  -3.367   3.040  -6.968
  497    HB2  LYS  67           HB2      LYS  67  -2.734   2.162  -9.793
  498    HB3  LYS  67           HB1      LYS  67  -4.358   2.458  -9.201
  499    HG2  LYS  67           HG2      LYS  67  -2.136   4.497  -9.346
  500    HG3  LYS  67           HG1      LYS  67  -3.481   4.356 -10.479
  501    HD2  LYS  67           HD2      LYS  67  -3.790   4.915  -7.515
  502    HD3  LYS  67           HD1      LYS  67  -3.778   6.142  -8.773
  503    HE2  LYS  67           HE2      LYS  67  -5.760   5.230  -9.770
  504    HE3  LYS  67           HE1      LYS  67  -5.730   3.852  -8.672
  505    HZ1  LYS  67           HZ1      LYS  67  -7.316   5.625  -8.086
  506    HZ2  LYS  67           HZ2      LYS  67  -6.020   6.661  -7.737
  507    HZ3  LYS  67           HZ3      LYS  67  -6.252   5.220  -6.862
  508    H    THR  68           HN       THR  68  -1.612   0.212  -7.969
  509    HA   THR  68           HA       THR  68  -3.764  -1.404  -6.839
  510    HB   THR  68           HB       THR  68  -2.512  -3.316  -7.852
  511    HG1  THR  68           HG1      THR  68  -1.458  -1.466  -9.689
  512   HG21  THR  68          HG21      THR  68  -4.579  -2.492  -8.771
  513   HG22  THR  68          HG22      THR  68  -3.492  -2.974 -10.086
  514   HG23  THR  68          HG23      THR  68  -3.706  -1.258  -9.684
  515    H    VAL  69           HN       VAL  69  -2.983  -3.418  -5.783
  516    HA   VAL  69           HA       VAL  69  -1.300  -2.754  -3.595
  517    HB   VAL  69           HB       VAL  69  -2.194  -5.456  -4.570
  518   HG11  VAL  69          HG11      VAL  69  -1.329  -4.446  -1.894
  519   HG12  VAL  69          HG12      VAL  69  -0.349  -5.385  -3.012
  520   HG13  VAL  69          HG13      VAL  69  -1.804  -6.125  -2.260
  521   HG21  VAL  69          HG21      VAL  69  -3.530  -3.602  -2.600
  522   HG22  VAL  69          HG22      VAL  69  -4.026  -5.257  -2.956
  523   HG23  VAL  69          HG23      VAL  69  -4.122  -4.017  -4.208
  524    H    GLY  70           HN       GLY  70  -0.924  -4.731  -6.446
  525    HA2  GLY  70           HA2      GLY  70   1.626  -5.749  -5.776
  526    HA3  GLY  70           HA1      GLY  70   0.815  -5.875  -7.328
  527    H    ASP  71           HN       ASP  71   0.543  -2.890  -7.374
  528    HA   ASP  71           HA       ASP  71   3.010  -2.395  -8.735
  529    HB2  ASP  71           HB2      ASP  71   0.622  -1.171  -8.944
  530    HB3  ASP  71           HB1      ASP  71   1.343  -0.231  -7.666
  531    H    ALA  72           HN       ALA  72   1.505  -1.486  -5.690
  532    HA   ALA  72           HA       ALA  72   3.602   0.082  -4.619
  533    HB1  ALA  72           HB1      ALA  72   1.408   0.083  -3.644
  534    HB2  ALA  72           HB2      ALA  72   2.573  -0.471  -2.439
  535    HB3  ALA  72           HB3      ALA  72   1.521  -1.633  -3.256
  536    H    THR  73           HN       THR  73   2.698  -3.273  -4.156
  537    HA   THR  73           HA       THR  73   4.835  -4.069  -2.603
  538    HB   THR  73           HB       THR  73   3.217  -5.740  -4.546
  539    HG1  THR  73           HG1      THR  73   1.783  -4.760  -3.169
  540   HG21  THR  73          HG21      THR  73   4.674  -6.493  -2.005
  541   HG22  THR  73          HG22      THR  73   5.176  -6.929  -3.644
  542   HG23  THR  73          HG23      THR  73   3.671  -7.569  -2.976
  543    H    LYS  74           HN       LYS  74   4.700  -3.570  -6.052
  544    HA   LYS  74           HA       LYS  74   7.016  -5.085  -6.714
  545    HB2  LYS  74           HB2      LYS  74   5.082  -3.987  -8.193
  546    HB3  LYS  74           HB1      LYS  74   6.245  -2.673  -8.276
  547    HG2  LYS  74           HG2      LYS  74   6.616  -4.007 -10.175
  548    HG3  LYS  74           HG1      LYS  74   7.931  -4.379  -9.054
  549    HD2  LYS  74           HD2      LYS  74   7.055  -6.433 -10.013
  550    HD3  LYS  74           HD1      LYS  74   6.679  -6.360  -8.286
  551    HE2  LYS  74           HE2      LYS  74   4.427  -5.546  -8.812
  552    HE3  LYS  74           HE1      LYS  74   4.798  -5.630 -10.529
  553    HZ1  LYS  74           HZ1      LYS  74   3.563  -7.504  -9.906
  554    HZ2  LYS  74           HZ2      LYS  74   4.590  -7.887  -8.622
  555    HZ3  LYS  74           HZ3      LYS  74   5.138  -8.042 -10.230
  556    H    TYR  75           HN       TYR  75   6.325  -1.626  -6.261
  557    HA   TYR  75           HA       TYR  75   8.928  -0.682  -6.535
  558    HB2  TYR  75           HB2      TYR  75   7.115   0.835  -6.812
  559    HB3  TYR  75           HB1      TYR  75   6.419   0.396  -5.257
  560    HD1  TYR  75           HD1      TYR  75   9.592   1.824  -6.636
  561    HD2  TYR  75           HD2      TYR  75   6.729   1.875  -3.523
  562    HE1  TYR  75           HE1      TYR  75  10.707   3.737  -5.663
  563    HE2  TYR  75           HE2      TYR  75   7.849   3.788  -2.526
  564    HH   TYR  75           HH       TYR  75  10.297   5.577  -4.189
  565    H    ILE  76           HN       ILE  76   7.003  -1.513  -3.745
  566    HA   ILE  76           HA       ILE  76   8.869  -0.666  -1.841
  567    HB   ILE  76           HB       ILE  76   6.587  -2.636  -1.447
  568   HG12  ILE  76          HG12      ILE  76   6.626   0.353  -0.998
  569   HG13  ILE  76          HG11      ILE  76   5.953  -0.415  -2.430
  570   HG21  ILE  76          HG21      ILE  76   8.075  -0.879   0.511
  571   HG22  ILE  76          HG22      ILE  76   8.199  -2.633   0.398
  572   HG23  ILE  76          HG23      ILE  76   6.678  -1.888   0.888
  573   HD11  ILE  76          HD11      ILE  76   4.212   0.177  -0.871
  574   HD12  ILE  76          HD12      ILE  76   4.991  -0.785   0.400
  575   HD13  ILE  76          HD13      ILE  76   4.321  -1.575  -1.032
  576    H    LEU  77           HN       LEU  77   8.370  -3.809  -3.402
  577    HA   LEU  77           HA       LEU  77  10.020  -5.206  -1.544
  578    HB2  LEU  77           HB2      LEU  77   8.199  -6.203  -2.885
  579    HB3  LEU  77           HB1      LEU  77   9.188  -6.068  -4.320
  580    HG   LEU  77           HG       LEU  77   9.964  -7.746  -1.925
  581   HD11  LEU  77          HD11      LEU  77   9.118  -9.652  -3.219
  582   HD12  LEU  77          HD12      LEU  77   8.516  -8.537  -4.447
  583   HD13  LEU  77          HD13      LEU  77   7.836  -8.511  -2.819
  584   HD21  LEU  77          HD21      LEU  77  10.857  -7.837  -4.816
  585   HD22  LEU  77          HD22      LEU  77  11.405  -8.912  -3.529
  586   HD23  LEU  77          HD23      LEU  77  11.803  -7.194  -3.473
  587    H    ASP  78           HN       ASP  78  10.340  -3.978  -4.832
  588    HA   ASP  78           HA       ASP  78  12.944  -4.833  -5.404
  589    HB2  ASP  78           HB2      ASP  78  11.446  -4.092  -7.129
  590    HB3  ASP  78           HB1      ASP  78  11.352  -2.488  -6.415
  591    H    HIS  79           HN       HIS  79  11.736  -2.100  -3.681
  592    HA   HIS  79           HA       HIS  79  14.402  -0.935  -3.533
  593    HB2  HIS  79           HB2      HIS  79  11.681   0.222  -3.061
  594    HB3  HIS  79           HB1      HIS  79  13.120   1.060  -2.517
  595    HD1  HIS  79           HD1      HIS  79  14.366   2.413  -4.273
  596    HD2  HIS  79           HD2      HIS  79  11.490  -0.074  -5.938
  597    HE1  HIS  79           HE1      HIS  79  14.091   3.191  -6.652
  598    HE2  HIS  79           HE2      HIS  79  12.119   1.875  -7.496
  599    H    GLN  80           HN       GLN  80  12.913  -3.161  -1.795
  600    HA   GLN  80           HA       GLN  80  12.694  -2.419   0.853
  601    HB2  GLN  80           HB2      GLN  80  13.631  -4.984  -0.388
  602    HB3  GLN  80           HB1      GLN  80  13.569  -4.797   1.361
  603    HG2  GLN  80           HG2      GLN  80  11.241  -4.358  -0.466
  604    HG3  GLN  80           HG1      GLN  80  11.616  -5.901   0.301
  605   HE21  GLN  80          HE21      GLN  80   9.413  -3.993   0.533
  606   HE22  GLN  80          HE22      GLN  80   9.213  -3.722   2.225
  607    H    ALA  81           HN       ALA  81  14.078  -1.404   2.143
  608    HA   ALA  81           HA       ALA  81  15.850  -0.857   3.374
  609    HB1  ALA  81           HB1      ALA  81  17.028  -3.495   2.491
  610    HB2  ALA  81           HB2      ALA  81  15.958  -3.265   3.874
  611    HB3  ALA  81           HB3      ALA  81  17.557  -2.522   3.863
  612    H28  SXH 101          H28B      SXH 101  -5.452   9.658  -1.999
  613   H28A  SXH 101          H28A      SXH 101  -7.175   9.939  -2.038
  614    H30  SXH 101          H30C      SXH 101  -7.674  11.680  -4.065
  615   H30A  SXH 101          H30A      SXH 101  -7.300  13.240  -3.318
  616   H30B  SXH 101          H30B      SXH 101  -8.092  11.962  -2.376
  617    H31  SXH 101          H31A      SXH 101  -4.679  11.731  -1.165
  618   H31A  SXH 101          H31C      SXH 101  -5.418  13.268  -1.606
  619   H31B  SXH 101          H31B      SXH 101  -6.360  12.065  -0.688
  620    H32  SXH 101          H32A      SXH 101  -5.192  11.399  -4.735
  621   HO33  SXH 101          H33A      SXH 101  -4.015  13.611  -4.021
  622   HN36  SXH 101          H36A      SXH 101  -4.123   9.729  -3.450
  623    H37  SXH 101          H37A      SXH 101  -1.605   9.402  -3.889
  624   H37A  SXH 101          H37B      SXH 101  -1.449  10.390  -2.421
  625    H38  SXH 101          H38A      SXH 101  -1.330   7.832  -2.213
  626   H38A  SXH 101          H38B      SXH 101  -2.478   8.627  -1.139
  627   HN41  SXH 101          H41A      SXH 101  -2.361   7.510  -4.391
  628    H42  SXH 101          H42A      SXH 101  -5.139   6.789  -4.521
  629   H42A  SXH 101          H42B      SXH 101  -3.926   6.490  -5.765
  630    H43  SXH 101          H43A      SXH 101  -4.829   4.413  -4.912
  631   H43A  SXH 101          H43B      SXH 101  -4.347   4.908  -3.276
  632    H2   SXH 101           H2A      SXH 101  -0.829   2.351  -4.722
  633    H2A  SXH 101           H2B      SXH 101  -1.945   1.027  -5.029
  634    H3   SXH 101           H3A      SXH 101  -0.566   0.256  -3.341
  635    H3A  SXH 101           H3B      SXH 101  -2.059   0.729  -2.547
  636    H4   SXH 101           H4B      SXH 101   0.418   2.438  -2.641
  637    H4A  SXH 101           H4A      SXH 101  -1.106   2.841  -1.848
  638    H5   SXH 101           H5A      SXH 101   0.708   0.528  -1.133
  639    H5A  SXH 101           H5B      SXH 101  -0.825   0.933  -0.337
  640    H6   SXH 101           H6C      SXH 101   0.101   3.109   0.296
  641    H6A  SXH 101           H6A      SXH 101   1.616   2.700  -0.509
  642    H6B  SXH 101           H6B      SXH 101   1.099   1.792   0.913
  Start of MODEL    9
    1    H1   ALA   1           HT1      ALA   1  12.807  -6.214   5.077
    2    H2   ALA   1           HT2      ALA   1  14.395  -5.887   4.568
    3    H3   ALA   1           HT3      ALA   1  13.974  -7.462   5.027
    4    HA   ALA   1           HA       ALA   1  13.000  -5.900   2.726
    5    HB1  ALA   1           HB1      ALA   1  14.129  -7.561   1.368
    6    HB2  ALA   1           HB2      ALA   1  14.668  -8.403   2.821
    7    HB3  ALA   1           HB3      ALA   1  15.261  -6.779   2.470
    8    H    ALA   2           HN       ALA   2  10.863  -6.174   2.982
    9    HA   ALA   2           HA       ALA   2   9.629  -8.721   3.444
   10    HB1  ALA   2           HB1      ALA   2   7.540  -7.545   2.972
   11    HB2  ALA   2           HB2      ALA   2   8.450  -6.144   2.405
   12    HB3  ALA   2           HB3      ALA   2   8.542  -6.632   4.098
   13    H    THR   3           HN       THR   3   7.862  -9.433   1.716
   14    HA   THR   3           HA       THR   3   9.221  -9.465  -0.856
   15    HB   THR   3           HB       THR   3   8.411 -11.861  -1.013
   16    HG1  THR   3           HG1      THR   3   8.290 -12.451   1.543
   17   HG21  THR   3          HG21      THR   3  10.764 -11.334  -0.460
   18   HG22  THR   3          HG22      THR   3  10.197 -12.785   0.382
   19   HG23  THR   3          HG23      THR   3  10.309 -11.249   1.245
   20    H    GLN   4           HN       GLN   4   7.169 -11.092  -2.093
   21    HA   GLN   4           HA       GLN   4   5.421  -9.022  -2.783
   22    HB2  GLN   4           HB2      GLN   4   6.021 -10.912  -4.289
   23    HB3  GLN   4           HB1      GLN   4   5.070 -11.989  -3.288
   24    HG2  GLN   4           HG2      GLN   4   3.761  -9.621  -4.603
   25    HG3  GLN   4           HG1      GLN   4   4.118 -11.061  -5.538
   26   HE21  GLN   4          HE21      GLN   4   2.152  -9.675  -3.051
   27   HE22  GLN   4          HE22      GLN   4   0.996 -10.929  -2.921
   28    H    GLU   5           HN       GLU   5   4.709 -11.976  -0.888
   29    HA   GLU   5           HA       GLU   5   2.070 -11.002  -0.369
   30    HB2  GLU   5           HB2      GLU   5   3.580 -13.298   0.867
   31    HB3  GLU   5           HB1      GLU   5   1.864 -12.980   1.083
   32    HG2  GLU   5           HG2      GLU   5   1.479 -13.307  -1.281
   33    HG3  GLU   5           HG1      GLU   5   3.204 -13.554  -1.544
   34    H    GLU   6           HN       GLU   6   5.109 -10.770   1.182
   35    HA   GLU   6           HA       GLU   6   4.112 -10.141   3.735
   36    HB2  GLU   6           HB2      GLU   6   6.775 -10.119   2.489
   37    HB3  GLU   6           HB1      GLU   6   6.562  -9.070   3.884
   38    HG2  GLU   6           HG2      GLU   6   7.403 -11.415   4.329
   39    HG3  GLU   6           HG1      GLU   6   6.041 -10.835   5.292
   40    H    ILE   7           HN       ILE   7   5.351  -7.975   1.103
   41    HA   ILE   7           HA       ILE   7   4.704  -5.620   2.406
   42    HB   ILE   7           HB       ILE   7   4.626  -6.326  -0.534
   43   HG12  ILE   7          HG12      ILE   7   6.745  -4.985   1.134
   44   HG13  ILE   7          HG11      ILE   7   6.748  -6.683   0.679
   45   HG21  ILE   7          HG21      ILE   7   3.332  -4.283  -0.086
   46   HG22  ILE   7          HG22      ILE   7   4.836  -3.911  -0.930
   47   HG23  ILE   7          HG23      ILE   7   4.701  -3.610   0.803
   48   HD11  ILE   7          HD11      ILE   7   6.842  -4.351  -1.192
   49   HD12  ILE   7          HD12      ILE   7   6.822  -6.051  -1.657
   50   HD13  ILE   7          HD13      ILE   7   8.188  -5.400  -0.751
   51    H    VAL   8           HN       VAL   8   2.821  -7.676   0.301
   52    HA   VAL   8           HA       VAL   8   0.444  -6.210   0.143
   53    HB   VAL   8           HB       VAL   8   0.820  -9.227   0.110
   54   HG11  VAL   8          HG11      VAL   8  -1.656  -7.648  -0.613
   55   HG12  VAL   8          HG12      VAL   8  -1.491  -8.719   0.776
   56   HG13  VAL   8          HG13      VAL   8  -1.424  -9.380  -0.859
   57   HG21  VAL   8          HG21      VAL   8   0.315  -7.218  -2.072
   58   HG22  VAL   8          HG22      VAL   8   0.493  -8.957  -2.278
   59   HG23  VAL   8          HG23      VAL   8   1.851  -7.993  -1.700
   60    H    ALA   9           HN       ALA   9   1.092  -8.847   2.485
   61    HA   ALA   9           HA       ALA   9  -1.280  -8.528   3.946
   62    HB1  ALA   9           HB1      ALA   9   0.126 -10.535   4.016
   63    HB2  ALA   9           HB2      ALA   9  -0.221  -9.918   5.633
   64    HB3  ALA   9           HB3      ALA   9   1.359  -9.636   4.899
   65    H    GLY  10           HN       GLY  10   1.772  -6.846   4.170
   66    HA2  GLY  10           HA2      GLY  10   1.365  -5.775   6.770
   67    HA3  GLY  10           HA1      GLY  10   2.582  -5.275   5.602
   68    H    LEU  11           HN       LEU  11   1.057  -4.572   3.461
   69    HA   LEU  11           HA       LEU  11   0.074  -1.981   4.107
   70    HB2  LEU  11           HB2      LEU  11  -0.622  -3.695   1.718
   71    HB3  LEU  11           HB1      LEU  11  -0.843  -1.966   1.846
   72    HG   LEU  11           HG       LEU  11   1.795  -3.418   1.724
   73   HD11  LEU  11          HD11      LEU  11   0.612  -3.428  -0.396
   74   HD12  LEU  11          HD12      LEU  11   2.001  -2.345  -0.464
   75   HD13  LEU  11          HD13      LEU  11   0.374  -1.685  -0.289
   76   HD21  LEU  11          HD21      LEU  11   1.177  -0.473   1.814
   77   HD22  LEU  11          HD22      LEU  11   2.773  -1.182   1.559
   78   HD23  LEU  11          HD23      LEU  11   1.938  -1.416   3.096
   79    H    ALA  12           HN       ALA  12  -1.471  -5.040   3.416
   80    HA   ALA  12           HA       ALA  12  -4.100  -4.256   3.486
   81    HB1  ALA  12           HB1      ALA  12  -2.996  -6.881   4.386
   82    HB2  ALA  12           HB2      ALA  12  -3.381  -6.413   2.713
   83    HB3  ALA  12           HB3      ALA  12  -4.663  -6.512   3.932
   84    H    GLU  13           HN       GLU  13  -2.129  -5.471   6.225
   85    HA   GLU  13           HA       GLU  13  -4.287  -5.331   7.999
   86    HB2  GLU  13           HB2      GLU  13  -2.618  -5.455   9.845
   87    HB3  GLU  13           HB1      GLU  13  -2.415  -6.695   8.619
   88    HG2  GLU  13           HG2      GLU  13  -0.589  -5.410   7.640
   89    HG3  GLU  13           HG1      GLU  13  -0.789  -4.189   8.897
   90    H    ILE  14           HN       ILE  14  -2.181  -2.906   6.910
   91    HA   ILE  14           HA       ILE  14  -2.976  -0.932   8.853
   92    HB   ILE  14           HB       ILE  14  -1.953  -0.481   6.020
   93   HG12  ILE  14          HG12      ILE  14  -0.313  -0.537   8.542
   94   HG13  ILE  14          HG11      ILE  14  -0.554  -1.975   7.556
   95   HG21  ILE  14          HG21      ILE  14  -1.165   1.656   7.009
   96   HG22  ILE  14          HG22      ILE  14  -1.922   1.216   8.538
   97   HG23  ILE  14          HG23      ILE  14  -2.918   1.501   7.109
   98   HD11  ILE  14          HD11      ILE  14   0.442  -0.873   5.676
   99   HD12  ILE  14          HD12      ILE  14   1.540  -0.875   7.061
  100   HD13  ILE  14          HD13      ILE  14   0.666   0.606   6.619
  101    H    VAL  15           HN       VAL  15  -3.849  -1.480   5.440
  102    HA   VAL  15           HA       VAL  15  -5.982   0.216   5.026
  103    HB   VAL  15           HB       VAL  15  -5.726  -2.628   4.011
  104   HG11  VAL  15          HG11      VAL  15  -7.152  -0.238   2.832
  105   HG12  VAL  15          HG12      VAL  15  -7.919  -1.650   3.559
  106   HG13  VAL  15          HG13      VAL  15  -6.997  -1.820   2.075
  107   HG21  VAL  15          HG21      VAL  15  -4.684  -0.098   2.772
  108   HG22  VAL  15          HG22      VAL  15  -4.500  -1.772   2.192
  109   HG23  VAL  15          HG23      VAL  15  -3.721  -1.267   3.676
  110    H    ASN  16           HN       ASN  16  -5.971  -2.991   6.495
  111    HA   ASN  16           HA       ASN  16  -8.654  -3.566   6.898
  112    HB2  ASN  16           HB2      ASN  16  -6.235  -4.106   8.574
  113    HB3  ASN  16           HB1      ASN  16  -7.808  -4.542   9.212
  114   HD21  ASN  16          HD21      ASN  16  -6.846  -4.861   5.836
  115   HD22  ASN  16          HD22      ASN  16  -6.817  -6.582   5.833
  116    H    GLU  17           HN       GLU  17  -6.560  -1.527   8.891
  117    HA   GLU  17           HA       GLU  17  -8.625  -1.053  10.796
  118    HB2  GLU  17           HB2      GLU  17  -5.929   0.231  10.489
  119    HB3  GLU  17           HB1      GLU  17  -7.026   0.493  11.837
  120    HG2  GLU  17           HG2      GLU  17  -6.913  -1.927  12.328
  121    HG3  GLU  17           HG1      GLU  17  -5.703  -2.082  11.053
  122    H    ILE  18           HN       ILE  18  -7.225   0.851   8.146
  123    HA   ILE  18           HA       ILE  18  -8.884   3.109   9.040
  124    HB   ILE  18           HB       ILE  18  -7.322   3.235   6.496
  125   HG12  ILE  18          HG12      ILE  18  -6.073   3.795   9.181
  126   HG13  ILE  18          HG11      ILE  18  -5.801   2.261   8.325
  127   HG21  ILE  18          HG21      ILE  18  -8.767   5.082   7.175
  128   HG22  ILE  18          HG22      ILE  18  -7.070   5.562   7.250
  129   HG23  ILE  18          HG23      ILE  18  -7.940   5.175   8.733
  130   HD11  ILE  18          HD11      ILE  18  -5.173   5.030   7.351
  131   HD12  ILE  18          HD12      ILE  18  -4.916   3.563   6.448
  132   HD13  ILE  18          HD13      ILE  18  -3.994   3.850   7.938
  133    H    ALA  19           HN       ALA  19  -8.429   1.313   5.926
  134    HA   ALA  19           HA       ALA  19 -10.863   2.509   4.885
  135    HB1  ALA  19           HB1      ALA  19  -8.982   2.069   3.349
  136    HB2  ALA  19           HB2      ALA  19 -10.447   1.226   2.847
  137    HB3  ALA  19           HB3      ALA  19  -9.158   0.339   3.641
  138    H    GLY  20           HN       GLY  20  -9.834  -0.549   6.154
  139    HA2  GLY  20           HA2      GLY  20 -11.285  -2.039   7.225
  140    HA3  GLY  20           HA1      GLY  20 -12.636  -1.297   6.374
  141    H    ILE  21           HN       ILE  21  -9.927  -1.949   4.317
  142    HA   ILE  21           HA       ILE  21 -11.442  -3.956   2.974
  143    HB   ILE  21           HB       ILE  21  -8.644  -2.918   2.491
  144   HG12  ILE  21          HG12      ILE  21 -10.312  -1.219   2.123
  145   HG13  ILE  21          HG11      ILE  21  -9.761  -1.810   0.557
  146   HG21  ILE  21          HG21      ILE  21 -10.363  -4.689   0.746
  147   HG22  ILE  21          HG22      ILE  21  -8.997  -5.230   1.709
  148   HG23  ILE  21          HG23      ILE  21  -8.726  -4.114   0.380
  149   HD11  ILE  21          HD11      ILE  21 -12.284  -2.597   1.967
  150   HD12  ILE  21          HD12      ILE  21 -11.730  -3.241   0.424
  151   HD13  ILE  21          HD13      ILE  21 -12.158  -1.525   0.565
  152    HA   PRO  22           HA       PRO  22  -9.699  -7.031   5.716
  153    HB2  PRO  22           HB2      PRO  22 -10.559  -8.936   3.636
  154    HB3  PRO  22           HB1      PRO  22 -11.000  -8.858   5.343
  155    HG2  PRO  22           HG2      PRO  22 -12.693  -8.204   3.439
  156    HG3  PRO  22           HG1      PRO  22 -12.665  -7.313   4.978
  157    HD2  PRO  22           HD2      PRO  22 -11.557  -6.527   2.311
  158    HD3  PRO  22           HD1      PRO  22 -12.379  -5.526   3.529
  159    H    VAL  23           HN       VAL  23  -8.083  -8.585   5.729
  160    HA   VAL  23           HA       VAL  23  -5.923  -7.959   3.965
  161    HB   VAL  23           HB       VAL  23  -5.666  -8.490   6.402
  162   HG11  VAL  23          HG11      VAL  23  -6.166 -11.325   5.570
  163   HG12  VAL  23          HG12      VAL  23  -7.217 -10.310   6.542
  164   HG13  VAL  23          HG13      VAL  23  -5.635 -10.795   7.175
  165   HG21  VAL  23          HG21      VAL  23  -3.713  -8.521   4.985
  166   HG22  VAL  23          HG22      VAL  23  -4.024 -10.200   4.534
  167   HG23  VAL  23          HG23      VAL  23  -3.586  -9.795   6.197
  168    H    GLU  24           HN       GLU  24  -8.471 -10.154   3.968
  169    HA   GLU  24           HA       GLU  24  -7.395 -12.227   2.344
  170    HB2  GLU  24           HB2      GLU  24  -9.308 -12.533   3.845
  171    HB3  GLU  24           HB1      GLU  24 -10.215 -11.339   2.929
  172    HG2  GLU  24           HG2      GLU  24  -9.863 -12.832   0.936
  173    HG3  GLU  24           HG1      GLU  24  -9.345 -14.063   2.093
  174    H    ASP  25           HN       ASP  25  -8.884  -9.090   1.876
  175    HA   ASP  25           HA       ASP  25  -9.488  -9.800  -0.845
  176    HB2  ASP  25           HB2      ASP  25 -11.133  -8.588   0.647
  177    HB3  ASP  25           HB1      ASP  25 -10.103  -7.169   0.446
  178    H    VAL  26           HN       VAL  26  -7.410  -7.567   0.946
  179    HA   VAL  26           HA       VAL  26  -6.224  -6.290  -1.246
  180    HB   VAL  26           HB       VAL  26  -5.054  -6.995   1.468
  181   HG11  VAL  26          HG11      VAL  26  -3.312  -5.313   1.010
  182   HG12  VAL  26          HG12      VAL  26  -3.943  -5.102  -0.626
  183   HG13  VAL  26          HG13      VAL  26  -3.239  -6.640  -0.148
  184   HG21  VAL  26          HG21      VAL  26  -6.957  -5.488   1.581
  185   HG22  VAL  26          HG22      VAL  26  -6.228  -4.444   0.371
  186   HG23  VAL  26          HG23      VAL  26  -5.475  -4.606   1.959
  187    H    LYS  27           HN       LYS  27  -5.643  -7.512  -2.884
  188    HA   LYS  27           HA       LYS  27  -3.493  -9.445  -2.503
  189    HB2  LYS  27           HB2      LYS  27  -5.919  -9.685  -4.306
  190    HB3  LYS  27           HB1      LYS  27  -4.504 -10.723  -4.436
  191    HG2  LYS  27           HG2      LYS  27  -6.205 -10.483  -1.960
  192    HG3  LYS  27           HG1      LYS  27  -6.404 -11.735  -3.190
  193    HD2  LYS  27           HD2      LYS  27  -4.198 -12.582  -2.769
  194    HD3  LYS  27           HD1      LYS  27  -3.830 -11.234  -1.692
  195    HE2  LYS  27           HE2      LYS  27  -5.421 -11.993  -0.100
  196    HE3  LYS  27           HE1      LYS  27  -6.014 -13.251  -1.190
  197    HZ1  LYS  27           HZ1      LYS  27  -3.899 -14.348  -1.050
  198    HZ2  LYS  27           HZ2      LYS  27  -4.456 -14.116   0.519
  199    HZ3  LYS  27           HZ3      LYS  27  -3.241 -13.116  -0.113
  200    H    LEU  28           HN       LEU  28  -2.338  -9.758  -4.790
  201    HA   LEU  28           HA       LEU  28  -1.001  -7.465  -5.263
  202    HB2  LEU  28           HB2      LEU  28  -0.221  -9.713  -5.486
  203    HB3  LEU  28           HB1      LEU  28  -1.388 -10.045  -6.756
  204    HG   LEU  28           HG       LEU  28  -0.176  -8.008  -7.713
  205   HD11  LEU  28          HD11      LEU  28   1.974  -9.530  -6.198
  206   HD12  LEU  28          HD12      LEU  28   1.501  -7.857  -5.935
  207   HD13  LEU  28          HD13      LEU  28   2.327  -8.313  -7.428
  208   HD21  LEU  28          HD21      LEU  28   1.123  -9.596  -9.159
  209   HD22  LEU  28          HD22      LEU  28  -0.582  -9.995  -8.950
  210   HD23  LEU  28          HD23      LEU  28   0.648 -10.878  -8.045
  211    H    ASP  29           HN       ASP  29  -3.832  -8.757  -6.929
  212    HA   ASP  29           HA       ASP  29  -3.500  -7.124  -9.300
  213    HB2  ASP  29           HB2      ASP  29  -4.137  -9.384  -9.655
  214    HB3  ASP  29           HB1      ASP  29  -5.349  -9.320  -8.395
  215    H    LYS  30           HN       LYS  30  -4.573  -6.405  -6.268
  216    HA   LYS  30           HA       LYS  30  -7.147  -5.463  -7.130
  217    HB2  LYS  30           HB2      LYS  30  -6.044  -5.571  -4.342
  218    HB3  LYS  30           HB1      LYS  30  -7.694  -5.282  -4.823
  219    HG2  LYS  30           HG2      LYS  30  -6.161  -7.782  -4.875
  220    HG3  LYS  30           HG1      LYS  30  -7.646  -7.430  -4.004
  221    HD2  LYS  30           HD2      LYS  30  -8.603  -7.096  -6.434
  222    HD3  LYS  30           HD1      LYS  30  -7.238  -8.124  -6.880
  223    HE2  LYS  30           HE2      LYS  30  -9.186  -9.495  -6.517
  224    HE3  LYS  30           HE1      LYS  30  -8.010  -9.792  -5.231
  225    HZ1  LYS  30           HZ1      LYS  30 -10.193  -7.835  -4.946
  226    HZ2  LYS  30           HZ2      LYS  30  -9.323  -8.554  -3.682
  227    HZ3  LYS  30           HZ3      LYS  30 -10.444  -9.443  -4.570
  228    H    SER  31           HN       SER  31  -7.091  -3.603  -7.854
  229    HA   SER  31           HA       SER  31  -5.351  -1.527  -6.932
  230    HB2  SER  31           HB2      SER  31  -6.361  -1.502  -9.231
  231    HB3  SER  31           HB1      SER  31  -7.946  -1.245  -8.497
  232    HG   SER  31           HG       SER  31  -5.704   0.452  -8.160
  233    H    PHE  32           HN       PHE  32  -5.543  -1.107  -4.896
  234    HA   PHE  32           HA       PHE  32  -7.446  -1.189  -3.019
  235    HB2  PHE  32           HB2      PHE  32  -5.549   1.051  -3.509
  236    HB3  PHE  32           HB1      PHE  32  -6.610   1.044  -2.107
  237    HD1  PHE  32           HD1      PHE  32  -6.384  -0.855  -0.422
  238    HD2  PHE  32           HD2      PHE  32  -3.645  -0.156  -3.616
  239    HE1  PHE  32           HE1      PHE  32  -4.797  -2.224   0.671
  240    HE2  PHE  32           HE2      PHE  32  -1.998  -1.508  -2.547
  241    HZ   PHE  32           HZ       PHE  32  -2.603  -2.535  -0.148
  242    H    THR  33           HN       THR  33  -7.168   1.898  -4.845
  243    HA   THR  33           HA       THR  33  -9.689   2.865  -4.041
  244    HB   THR  33           HB       THR  33  -7.945   3.943  -6.237
  245    HG1  THR  33           HG1      THR  33  -6.379   3.540  -4.824
  246   HG21  THR  33          HG21      THR  33  -9.297   5.160  -3.851
  247   HG22  THR  33          HG22      THR  33  -9.904   5.236  -5.526
  248   HG23  THR  33          HG23      THR  33  -8.370   6.022  -5.075
  249    H    ASP  34           HN       ASP  34 -10.057   0.373  -5.462
  250    HA   ASP  34           HA       ASP  34 -11.860   1.168  -7.553
  251    HB2  ASP  34           HB2      ASP  34  -9.759   1.310  -8.814
  252    HB3  ASP  34           HB1      ASP  34  -9.371  -0.348  -8.380
  253    H    ASP  35           HN       ASP  35  -9.901  -1.621  -6.697
  254    HA   ASP  35           HA       ASP  35 -11.985  -3.575  -7.217
  255    HB2  ASP  35           HB2      ASP  35  -9.542  -3.887  -7.579
  256    HB3  ASP  35           HB1      ASP  35  -9.286  -3.950  -5.876
  257    H    LEU  36           HN       LEU  36 -10.099  -2.565  -4.526
  258    HA   LEU  36           HA       LEU  36 -11.412  -4.209  -2.597
  259    HB2  LEU  36           HB2      LEU  36  -9.457  -1.935  -2.273
  260    HB3  LEU  36           HB1      LEU  36  -9.905  -3.093  -1.037
  261    HG   LEU  36           HG       LEU  36  -8.387  -3.654  -3.587
  262   HD11  LEU  36          HD11      LEU  36  -6.575  -4.216  -2.114
  263   HD12  LEU  36          HD12      LEU  36  -7.546  -3.701  -0.731
  264   HD13  LEU  36          HD13      LEU  36  -7.067  -2.530  -1.958
  265   HD21  LEU  36          HD21      LEU  36  -9.201  -5.516  -1.389
  266   HD22  LEU  36          HD22      LEU  36  -8.153  -5.906  -2.756
  267   HD23  LEU  36          HD23      LEU  36  -9.848  -5.496  -3.027
  268    H    ASP  37           HN       ASP  37 -10.756  -0.909  -2.356
  269    HA   ASP  37           HA       ASP  37 -12.348   0.902  -2.622
  270    HB2  ASP  37           HB2      ASP  37 -14.426  -0.471  -2.181
  271    HB3  ASP  37           HB1      ASP  37 -14.007  -0.454  -0.480
  272    H    VAL  38           HN       VAL  38 -10.297   1.428  -1.876
  273    HA   VAL  38           HA       VAL  38 -10.173   1.851   0.988
  274    HB   VAL  38           HB       VAL  38  -8.127   1.276  -0.439
  275   HG11  VAL  38          HG11      VAL  38  -8.503   2.712  -2.305
  276   HG12  VAL  38          HG12      VAL  38  -6.961   3.111  -1.551
  277   HG13  VAL  38          HG13      VAL  38  -8.370   4.143  -1.283
  278   HG21  VAL  38          HG21      VAL  38  -7.836   2.064   1.820
  279   HG22  VAL  38          HG22      VAL  38  -7.956   3.738   1.281
  280   HG23  VAL  38          HG23      VAL  38  -6.578   2.752   0.789
  281    H    ASP  39           HN       ASP  39  -9.969   4.139   1.806
  282    HA   ASP  39           HA       ASP  39 -11.961   5.752   0.479
  283    HB2  ASP  39           HB2      ASP  39 -10.411   6.521   2.927
  284    HB3  ASP  39           HB1      ASP  39 -12.048   6.945   2.452
  285    H    SER  40           HN       SER  40  -8.855   5.267  -0.082
  286    HA   SER  40           HA       SER  40  -7.004   6.237  -0.685
  287    HB2  SER  40           HB2      SER  40  -7.158   8.188  -2.202
  288    HB3  SER  40           HB1      SER  40  -8.418   7.005  -2.533
  289    H    LEU  41           HN       LEU  41  -8.752   7.867   1.675
  290    HA   LEU  41           HA       LEU  41  -6.698   9.778   2.355
  291    HB2  LEU  41           HB2      LEU  41  -9.207   8.977   3.842
  292    HB3  LEU  41           HB1      LEU  41  -8.201  10.366   4.193
  293    HG   LEU  41           HG       LEU  41  -9.883   9.970   1.721
  294   HD11  LEU  41          HD11      LEU  41 -11.196  11.838   2.597
  295   HD12  LEU  41          HD12      LEU  41 -10.192  11.856   4.045
  296   HD13  LEU  41          HD13      LEU  41 -11.211  10.460   3.698
  297   HD21  LEU  41          HD21      LEU  41  -7.865  11.212   1.197
  298   HD22  LEU  41          HD22      LEU  41  -8.166  12.308   2.544
  299   HD23  LEU  41          HD23      LEU  41  -9.269  12.276   1.165
  300    H    SER  42           HN       SER  42  -7.937   6.601   3.184
  301    HA   SER  42           HA       SER  42  -6.526   6.157   5.511
  302    HB2  SER  42           HB2      SER  42  -6.925   3.737   4.215
  303    HB3  SER  42           HB1      SER  42  -8.049   4.534   5.309
  304    HG   SER  42           HG       SER  42  -9.340   4.748   3.745
  305    H    MET  43           HN       MET  43  -5.955   6.078   2.136
  306    HA   MET  43           HA       MET  43  -3.782   4.379   1.914
  307    HB2  MET  43           HB2      MET  43  -5.097   5.297   0.031
  308    HB3  MET  43           HB1      MET  43  -4.308   6.849   0.285
  309    HG2  MET  43           HG2      MET  43  -3.248   5.639  -1.496
  310    HG3  MET  43           HG1      MET  43  -2.142   5.802  -0.124
  311    HE1  MET  43           HE1      MET  43  -4.498   1.987  -1.101
  312    HE2  MET  43           HE2      MET  43  -4.491   3.437  -2.106
  313    HE3  MET  43           HE3      MET  43  -5.235   3.482  -0.515
  314    H    VAL  44           HN       VAL  44  -3.948   7.816   2.644
  315    HA   VAL  44           HA       VAL  44  -1.213   8.230   2.385
  316    HB   VAL  44           HB       VAL  44  -3.186   9.884   3.989
  317   HG11  VAL  44          HG11      VAL  44  -1.612  11.735   3.666
  318   HG12  VAL  44          HG12      VAL  44  -0.488  10.646   2.856
  319   HG13  VAL  44          HG13      VAL  44  -0.863  10.413   4.564
  320   HG21  VAL  44          HG21      VAL  44  -3.889   9.619   1.658
  321   HG22  VAL  44          HG22      VAL  44  -2.310  10.114   1.095
  322   HG23  VAL  44          HG23      VAL  44  -3.337  11.264   1.936
  323    H    GLU  45           HN       GLU  45  -3.206   7.266   5.126
  324    HA   GLU  45           HA       GLU  45  -1.030   7.409   6.984
  325    HB2  GLU  45           HB2      GLU  45  -3.755   6.131   7.188
  326    HB3  GLU  45           HB1      GLU  45  -2.608   6.275   8.511
  327    HG2  GLU  45           HG2      GLU  45  -2.748   8.680   8.417
  328    HG3  GLU  45           HG1      GLU  45  -3.818   8.579   7.018
  329    H    VAL  46           HN       VAL  46  -2.563   4.994   4.940
  330    HA   VAL  46           HA       VAL  46  -1.256   2.714   5.930
  331    HB   VAL  46           HB       VAL  46  -2.196   3.246   3.061
  332   HG11  VAL  46          HG11      VAL  46  -0.586   1.392   3.105
  333   HG12  VAL  46          HG12      VAL  46  -2.241   0.822   2.790
  334   HG13  VAL  46          HG13      VAL  46  -1.539   0.624   4.384
  335   HG21  VAL  46          HG21      VAL  46  -3.552   1.765   5.309
  336   HG22  VAL  46          HG22      VAL  46  -4.151   1.906   3.657
  337   HG23  VAL  46          HG23      VAL  46  -4.012   3.341   4.673
  338    H    VAL  47           HN       VAL  47  -0.374   5.204   3.736
  339    HA   VAL  47           HA       VAL  47   2.094   4.252   2.731
  340    HB   VAL  47           HB       VAL  47   0.709   6.928   2.978
  341   HG11  VAL  47          HG11      VAL  47   3.508   6.548   1.928
  342   HG12  VAL  47          HG12      VAL  47   3.066   7.425   3.394
  343   HG13  VAL  47          HG13      VAL  47   2.546   8.021   1.818
  344   HG21  VAL  47          HG21      VAL  47   1.709   5.330   0.637
  345   HG22  VAL  47          HG22      VAL  47   0.860   6.872   0.543
  346   HG23  VAL  47          HG23      VAL  47   0.039   5.453   1.192
  347    H    VAL  48           HN       VAL  48   1.547   6.655   5.278
  348    HA   VAL  48           HA       VAL  48   4.236   6.684   6.027
  349    HB   VAL  48           HB       VAL  48   1.811   7.350   7.736
  350   HG11  VAL  48          HG11      VAL  48   3.808   6.989   9.122
  351   HG12  VAL  48          HG12      VAL  48   3.353   8.691   9.086
  352   HG13  VAL  48          HG13      VAL  48   4.709   8.120   8.114
  353   HG21  VAL  48          HG21      VAL  48   3.618   9.034   6.038
  354   HG22  VAL  48          HG22      VAL  48   2.324   9.665   7.068
  355   HG23  VAL  48          HG23      VAL  48   1.942   8.626   5.684
  356    H    ALA  49           HN       ALA  49   1.701   4.529   6.971
  357    HA   ALA  49           HA       ALA  49   3.213   3.303   9.068
  358    HB1  ALA  49           HB1      ALA  49   0.761   3.166   9.011
  359    HB2  ALA  49           HB2      ALA  49   1.493   1.562   9.042
  360    HB3  ALA  49           HB3      ALA  49   0.853   2.211   7.532
  361    H    ALA  50           HN       ALA  50   2.669   2.588   5.648
  362    HA   ALA  50           HA       ALA  50   4.194   0.210   5.544
  363    HB1  ALA  50           HB1      ALA  50   4.207   0.528   3.138
  364    HB2  ALA  50           HB2      ALA  50   3.626   2.183   3.335
  365    HB3  ALA  50           HB3      ALA  50   2.595   0.822   3.790
  366    H    GLU  51           HN       GLU  51   4.985   3.598   5.068
  367    HA   GLU  51           HA       GLU  51   7.601   3.369   4.133
  368    HB2  GLU  51           HB2      GLU  51   6.524   5.363   6.035
  369    HB3  GLU  51           HB1      GLU  51   7.949   5.599   5.086
  370    HG2  GLU  51           HG2      GLU  51   6.652   5.687   3.025
  371    HG3  GLU  51           HG1      GLU  51   5.171   5.366   3.895
  372    H    GLU  52           HN       GLU  52   6.140   3.289   7.242
  373    HA   GLU  52           HA       GLU  52   8.515   3.545   8.820
  374    HB2  GLU  52           HB2      GLU  52   6.366   4.309   9.614
  375    HB3  GLU  52           HB1      GLU  52   5.708   2.689   9.491
  376    HG2  GLU  52           HG2      GLU  52   7.349   1.980  11.220
  377    HG3  GLU  52           HG1      GLU  52   7.796   3.677  11.408
  378    H    ARG  53           HN       ARG  53   6.324   0.904   8.003
  379    HA   ARG  53           HA       ARG  53   7.810  -0.953   9.590
  380    HB2  ARG  53           HB2      ARG  53   6.130  -2.544   9.017
  381    HB3  ARG  53           HB1      ARG  53   5.371  -0.987   9.349
  382    HG2  ARG  53           HG2      ARG  53   5.040  -0.597   7.014
  383    HG3  ARG  53           HG1      ARG  53   5.893  -2.087   6.612
  384    HD2  ARG  53           HD2      ARG  53   3.297  -1.870   8.148
  385    HD3  ARG  53           HD1      ARG  53   3.538  -2.369   6.463
  386    HE   ARG  53           HE       ARG  53   4.951  -4.241   7.492
  387   HH11  ARG  53          HH11      ARG  53   2.161  -2.899   9.273
  388   HH12  ARG  53          HH12      ARG  53   1.733  -4.414   9.926
  389   HH21  ARG  53          HH21      ARG  53   4.370  -6.200   8.396
  390   HH22  ARG  53          HH22      ARG  53   3.058  -6.366   9.470
  391    H    PHE  54           HN       PHE  54   7.649  -0.114   6.224
  392    HA   PHE  54           HA       PHE  54   9.276  -2.427   5.545
  393    HB2  PHE  54           HB2      PHE  54   7.906  -0.405   3.765
  394    HB3  PHE  54           HB1      PHE  54   8.878  -1.747   3.196
  395    HD1  PHE  54           HD1      PHE  54   8.120  -4.076   4.438
  396    HD2  PHE  54           HD2      PHE  54   5.653  -0.728   3.573
  397    HE1  PHE  54           HE1      PHE  54   6.145  -5.535   4.438
  398    HE2  PHE  54           HE2      PHE  54   3.674  -2.185   3.574
  399    HZ   PHE  54           HZ       PHE  54   3.919  -4.585   4.067
  400    H    ASP  55           HN       ASP  55   9.639   0.833   6.320
  401    HA   ASP  55           HA       ASP  55  11.377   2.261   6.444
  402    HB2  ASP  55           HB2      ASP  55  12.757   0.273   7.115
  403    HB3  ASP  55           HB1      ASP  55  13.139  -0.001   5.422
  404    H    VAL  56           HN       VAL  56  10.249   1.016   3.727
  405    HA   VAL  56           HA       VAL  56  12.127   1.806   1.730
  406    HB   VAL  56           HB       VAL  56   9.262   0.828   1.622
  407   HG11  VAL  56          HG11      VAL  56  10.999   1.308  -0.791
  408   HG12  VAL  56          HG12      VAL  56   9.763   2.458  -0.292
  409   HG13  VAL  56          HG13      VAL  56   9.294   0.843  -0.783
  410   HG21  VAL  56          HG21      VAL  56  11.865  -0.275   0.746
  411   HG22  VAL  56          HG22      VAL  56  10.281  -1.052   0.569
  412   HG23  VAL  56          HG23      VAL  56  10.941  -0.739   2.185
  413    H    LYS  57           HN       LYS  57   9.193   3.056   2.947
  414    HA   LYS  57           HA       LYS  57   8.150   5.003   2.907
  415    HB2  LYS  57           HB2      LYS  57  10.132   6.021   3.829
  416    HB3  LYS  57           HB1      LYS  57  10.857   6.169   2.235
  417    HG2  LYS  57           HG2      LYS  57   9.199   7.803   1.582
  418    HG3  LYS  57           HG1      LYS  57   8.342   7.585   3.106
  419    HD2  LYS  57           HD2      LYS  57  11.173   8.595   2.863
  420    HD3  LYS  57           HD1      LYS  57   9.756   9.636   2.992
  421    HE2  LYS  57           HE2      LYS  57   9.229   8.655   5.171
  422    HE3  LYS  57           HE1      LYS  57  10.627   7.591   5.040
  423    HZ1  LYS  57           HZ1      LYS  57  10.762  10.553   5.057
  424    HZ2  LYS  57           HZ2      LYS  57  12.076   9.473   5.063
  425    HZ3  LYS  57           HZ3      LYS  57  11.073   9.584   6.400
  426    H    ILE  58           HN       ILE  58   6.650   5.037   1.479
  427    HA   ILE  58           HA       ILE  58   7.297   5.951  -1.240
  428    HB   ILE  58           HB       ILE  58   4.785   4.402  -0.685
  429   HG12  ILE  58          HG12      ILE  58   5.986   2.318  -1.668
  430   HG13  ILE  58          HG11      ILE  58   7.481   3.119  -1.195
  431   HG21  ILE  58          HG21      ILE  58   6.360   4.848  -3.194
  432   HG22  ILE  58          HG22      ILE  58   4.818   5.578  -2.719
  433   HG23  ILE  58          HG23      ILE  58   4.899   3.877  -3.066
  434   HD11  ILE  58          HD11      ILE  58   6.801   1.498   0.471
  435   HD12  ILE  58          HD12      ILE  58   5.256   2.341   0.669
  436   HD13  ILE  58          HD13      ILE  58   6.762   3.145   1.114
  437    HA   PRO  59           HA       PRO  59   4.664   9.005   0.975
  438    HB2  PRO  59           HB2      PRO  59   5.087  10.823  -1.108
  439    HB3  PRO  59           HB1      PRO  59   6.025  10.766   0.395
  440    HG2  PRO  59           HG2      PRO  59   6.638   9.582  -2.283
  441    HG3  PRO  59           HG1      PRO  59   7.740  10.390  -1.139
  442    HD2  PRO  59           HD2      PRO  59   7.712   7.753  -1.389
  443    HD3  PRO  59           HD1      PRO  59   7.845   8.502   0.220
  444    H    ASP  60           HN       ASP  60   2.513   9.559   0.424
  445    HA   ASP  60           HA       ASP  60   1.253   7.928  -1.463
  446    HB2  ASP  60           HB2      ASP  60  -0.839   9.051  -0.959
  447    HB3  ASP  60           HB1      ASP  60   0.061   8.837   0.527
  448    H    ASP  61           HN       ASP  61   2.826  10.791  -1.936
  449    HA   ASP  61           HA       ASP  61   1.659  11.656  -4.429
  450    HB2  ASP  61           HB2      ASP  61   3.068  13.212  -3.204
  451    HB3  ASP  61           HB1      ASP  61   4.396  12.064  -3.195
  452    H    ASP  62           HN       ASP  62   4.179   9.426  -3.577
  453    HA   ASP  62           HA       ASP  62   4.692   8.965  -6.432
  454    HB2  ASP  62           HB2      ASP  62   6.542   9.046  -4.597
  455    HB3  ASP  62           HB1      ASP  62   6.011   7.402  -4.233
  456    H    VAL  63           HN       VAL  63   3.238   7.604  -3.698
  457    HA   VAL  63           HA       VAL  63   2.775   5.009  -4.530
  458    HB   VAL  63           HB       VAL  63   2.245   6.437  -2.260
  459   HG11  VAL  63          HG11      VAL  63  -0.449   5.706  -3.357
  460   HG12  VAL  63          HG12      VAL  63   0.147   7.324  -2.992
  461   HG13  VAL  63          HG13      VAL  63  -0.115   6.167  -1.690
  462   HG21  VAL  63          HG21      VAL  63   1.410   4.338  -1.329
  463   HG22  VAL  63          HG22      VAL  63   2.847   4.125  -2.328
  464   HG23  VAL  63          HG23      VAL  63   1.259   3.696  -2.964
  465    H    LYS  64           HN       LYS  64   1.342   7.862  -5.711
  466    HA   LYS  64           HA       LYS  64  -1.095   6.959  -6.582
  467    HB2  LYS  64           HB2      LYS  64  -1.084   8.747  -8.265
  468    HB3  LYS  64           HB1      LYS  64  -0.430   9.345  -6.751
  469    HG2  LYS  64           HG2      LYS  64   1.824   9.163  -7.650
  470    HG3  LYS  64           HG1      LYS  64   1.181   8.498  -9.150
  471    HD2  LYS  64           HD2      LYS  64   1.695  10.821  -9.453
  472    HD3  LYS  64           HD1      LYS  64  -0.063  10.607  -9.496
  473    HE2  LYS  64           HE2      LYS  64  -0.209  11.404  -7.197
  474    HE3  LYS  64           HE1      LYS  64   1.545  11.550  -7.123
  475    HZ1  LYS  64           HZ1      LYS  64  -0.354  13.160  -8.721
  476    HZ2  LYS  64           HZ2      LYS  64   1.296  13.130  -9.057
  477    HZ3  LYS  64           HZ3      LYS  64   0.754  13.687  -7.550
  478    H    ASN  65           HN       ASN  65   2.057   6.506  -7.748
  479    HA   ASN  65           HA       ASN  65   1.331   5.470 -10.345
  480    HB2  ASN  65           HB2      ASN  65   4.008   5.364  -8.931
  481    HB3  ASN  65           HB1      ASN  65   3.714   4.974 -10.621
  482   HD21  ASN  65          HD21      ASN  65   4.137   7.460  -8.307
  483   HD22  ASN  65          HD22      ASN  65   4.141   8.801  -9.407
  484    H    LEU  66           HN       LEU  66   0.950   4.319  -7.376
  485    HA   LEU  66           HA       LEU  66   1.559   1.539  -8.122
  486    HB2  LEU  66           HB2      LEU  66   1.300   2.706  -5.381
  487    HB3  LEU  66           HB1      LEU  66   1.791   1.076  -5.817
  488    HG   LEU  66           HG       LEU  66   3.297   3.608  -6.388
  489   HD11  LEU  66          HD11      LEU  66   3.230   3.111  -4.039
  490   HD12  LEU  66          HD12      LEU  66   4.859   2.839  -4.653
  491   HD13  LEU  66          HD13      LEU  66   3.787   1.467  -4.326
  492   HD21  LEU  66          HD21      LEU  66   5.173   2.138  -6.995
  493   HD22  LEU  66          HD22      LEU  66   3.776   1.923  -8.052
  494   HD23  LEU  66          HD23      LEU  66   4.118   0.737  -6.791
  495    H    LYS  67           HN       LYS  67  -0.759   3.016  -8.766
  496    HA   LYS  67           HA       LYS  67  -3.082   2.867  -7.492
  497    HB2  LYS  67           HB2      LYS  67  -4.257   2.051  -9.528
  498    HB3  LYS  67           HB1      LYS  67  -3.131   3.375  -9.804
  499    HG2  LYS  67           HG2      LYS  67  -1.597   2.013 -10.872
  500    HG3  LYS  67           HG1      LYS  67  -2.285   0.543 -10.201
  501    HD2  LYS  67           HD2      LYS  67  -2.766   0.728 -12.593
  502    HD3  LYS  67           HD1      LYS  67  -4.240   0.781 -11.647
  503    HE2  LYS  67           HE2      LYS  67  -2.893   3.297 -12.592
  504    HE3  LYS  67           HE1      LYS  67  -3.960   2.390 -13.655
  505    HZ1  LYS  67           HZ1      LYS  67  -5.722   2.669 -11.920
  506    HZ2  LYS  67           HZ2      LYS  67  -5.220   4.063 -12.678
  507    HZ3  LYS  67           HZ3      LYS  67  -4.721   3.792 -11.109
  508    H    THR  68           HN       THR  68  -1.359  -0.170  -8.094
  509    HA   THR  68           HA       THR  68  -3.640  -1.454  -6.828
  510    HB   THR  68           HB       THR  68  -2.832  -3.588  -7.716
  511    HG1  THR  68           HG1      THR  68  -1.462  -3.012  -9.818
  512   HG21  THR  68          HG21      THR  68  -3.536  -1.517  -9.791
  513   HG22  THR  68          HG22      THR  68  -4.659  -2.426  -8.782
  514   HG23  THR  68          HG23      THR  68  -3.693  -3.268 -10.006
  515    H    VAL  69           HN       VAL  69  -3.123  -3.385  -5.500
  516    HA   VAL  69           HA       VAL  69  -1.224  -2.817  -3.479
  517    HB   VAL  69           HB       VAL  69  -2.122  -5.604  -4.219
  518   HG11  VAL  69          HG11      VAL  69  -1.370  -4.299  -1.638
  519   HG12  VAL  69          HG12      VAL  69  -0.297  -5.218  -2.670
  520   HG13  VAL  69          HG13      VAL  69  -1.702  -6.033  -1.889
  521   HG21  VAL  69          HG21      VAL  69  -3.996  -5.291  -2.663
  522   HG22  VAL  69          HG22      VAL  69  -4.116  -4.165  -4.016
  523   HG23  VAL  69          HG23      VAL  69  -3.544  -3.602  -2.443
  524    H    GLY  70           HN       GLY  70  -1.054  -5.035  -6.218
  525    HA2  GLY  70           HA2      GLY  70   1.503  -5.974  -5.645
  526    HA3  GLY  70           HA1      GLY  70   0.666  -6.086  -7.183
  527    H    ASP  71           HN       ASP  71   0.376  -3.114  -7.270
  528    HA   ASP  71           HA       ASP  71   2.784  -2.612  -8.708
  529    HB2  ASP  71           HB2      ASP  71   0.317  -1.495  -8.755
  530    HB3  ASP  71           HB1      ASP  71   1.170  -0.385  -7.702
  531    H    ALA  72           HN       ALA  72   1.352  -1.459  -5.685
  532    HA   ALA  72           HA       ALA  72   3.487   0.055  -4.696
  533    HB1  ALA  72           HB1      ALA  72   1.550  -1.663  -3.171
  534    HB2  ALA  72           HB2      ALA  72   1.277   0.006  -3.680
  535    HB3  ALA  72           HB3      ALA  72   2.541  -0.365  -2.507
  536    H    THR  73           HN       THR  73   2.672  -3.308  -4.222
  537    HA   THR  73           HA       THR  73   4.760  -4.131  -2.619
  538    HB   THR  73           HB       THR  73   3.353  -5.696  -4.805
  539    HG1  THR  73           HG1      THR  73   1.892  -4.845  -3.292
  540   HG21  THR  73          HG21      THR  73   5.363  -6.838  -3.984
  541   HG22  THR  73          HG22      THR  73   3.881  -7.652  -3.456
  542   HG23  THR  73          HG23      THR  73   4.778  -6.636  -2.326
  543    H    LYS  74           HN       LYS  74   4.701  -3.593  -6.070
  544    HA   LYS  74           HA       LYS  74   7.136  -4.870  -6.706
  545    HB2  LYS  74           HB2      LYS  74   5.477  -4.544  -8.402
  546    HB3  LYS  74           HB1      LYS  74   5.371  -2.837  -8.059
  547    HG2  LYS  74           HG2      LYS  74   7.875  -4.037  -9.199
  548    HG3  LYS  74           HG1      LYS  74   6.503  -3.624 -10.223
  549    HD2  LYS  74           HD2      LYS  74   8.027  -1.751  -8.423
  550    HD3  LYS  74           HD1      LYS  74   8.153  -1.803 -10.191
  551    HE2  LYS  74           HE2      LYS  74   5.738  -1.030  -8.530
  552    HE3  LYS  74           HE1      LYS  74   6.727   0.053  -9.500
  553    HZ1  LYS  74           HZ1      LYS  74   5.965  -1.164 -11.485
  554    HZ2  LYS  74           HZ2      LYS  74   4.680  -0.488 -10.592
  555    HZ3  LYS  74           HZ3      LYS  74   4.959  -2.123 -10.510
  556    H    TYR  75           HN       TYR  75   6.222  -1.509  -6.161
  557    HA   TYR  75           HA       TYR  75   8.753  -0.380  -6.478
  558    HB2  TYR  75           HB2      TYR  75   6.567   0.846  -6.477
  559    HB3  TYR  75           HB1      TYR  75   6.491   0.492  -4.742
  560    HD1  TYR  75           HD1      TYR  75   8.606   2.151  -7.233
  561    HD2  TYR  75           HD2      TYR  75   7.354   1.848  -3.234
  562    HE1  TYR  75           HE1      TYR  75   9.931   4.143  -6.700
  563    HE2  TYR  75           HE2      TYR  75   8.654   3.836  -2.640
  564    HH   TYR  75           HH       TYR  75  10.016   5.859  -5.021
  565    H    ILE  76           HN       ILE  76   6.910  -1.382  -3.684
  566    HA   ILE  76           HA       ILE  76   8.741  -0.526  -1.798
  567    HB   ILE  76           HB       ILE  76   6.560  -2.610  -1.432
  568   HG12  ILE  76          HG12      ILE  76   6.531   0.379  -0.978
  569   HG13  ILE  76          HG11      ILE  76   5.745  -0.467  -2.303
  570   HG21  ILE  76          HG21      ILE  76   8.221  -2.600   0.388
  571   HG22  ILE  76          HG22      ILE  76   6.658  -1.992   0.931
  572   HG23  ILE  76          HG23      ILE  76   7.974  -0.866   0.596
  573   HD11  ILE  76          HD11      ILE  76   5.088  -0.759   0.616
  574   HD12  ILE  76          HD12      ILE  76   4.281  -1.594  -0.717
  575   HD13  ILE  76          HD13      ILE  76   4.173   0.165  -0.578
  576    H    LEU  77           HN       LEU  77   8.313  -3.659  -3.384
  577    HA   LEU  77           HA       LEU  77  10.104  -5.014  -1.700
  578    HB2  LEU  77           HB2      LEU  77   8.319  -5.983  -3.148
  579    HB3  LEU  77           HB1      LEU  77   9.358  -5.792  -4.542
  580    HG   LEU  77           HG       LEU  77   9.976  -7.511  -2.128
  581   HD11  LEU  77          HD11      LEU  77   7.998  -8.328  -3.265
  582   HD12  LEU  77          HD12      LEU  77   9.353  -9.417  -3.566
  583   HD13  LEU  77          HD13      LEU  77   8.835  -8.279  -4.817
  584   HD21  LEU  77          HD21      LEU  77  11.981  -6.877  -3.401
  585   HD22  LEU  77          HD22      LEU  77  11.233  -7.470  -4.884
  586   HD23  LEU  77          HD23      LEU  77  11.637  -8.598  -3.585
  587    H    ASP  78           HN       ASP  78  10.346  -3.360  -4.825
  588    HA   ASP  78           HA       ASP  78  13.008  -4.011  -5.550
  589    HB2  ASP  78           HB2      ASP  78  11.323  -3.145  -7.122
  590    HB3  ASP  78           HB1      ASP  78  11.324  -1.604  -6.282
  591    H    HIS  79           HN       HIS  79  11.650  -1.601  -3.520
  592    HA   HIS  79           HA       HIS  79  14.222  -0.245  -3.154
  593    HB2  HIS  79           HB2      HIS  79  11.403   0.596  -2.672
  594    HB3  HIS  79           HB1      HIS  79  12.713   1.410  -1.839
  595    HD1  HIS  79           HD1      HIS  79  13.781   3.263  -3.066
  596    HD2  HIS  79           HD2      HIS  79  11.591   0.790  -5.576
  597    HE1  HIS  79           HE1      HIS  79  13.731   4.439  -5.287
  598    HE2  HIS  79           HE2      HIS  79  12.639   2.800  -6.839
  599    H    GLN  80           HN       GLN  80  12.900  -2.787  -1.792
  600    HA   GLN  80           HA       GLN  80  12.404  -2.316   0.854
  601    HB2  GLN  80           HB2      GLN  80  13.451  -4.710  -0.568
  602    HB3  GLN  80           HB1      GLN  80  13.436  -4.720   1.183
  603    HG2  GLN  80           HG2      GLN  80  11.056  -4.204  -0.556
  604    HG3  GLN  80           HG1      GLN  80  11.478  -5.763   0.152
  605   HE21  GLN  80          HE21      GLN  80   9.204  -4.041   0.530
  606   HE22  GLN  80          HE22      GLN  80   9.071  -3.797   2.231
  607    H    ALA  81           HN       ALA  81  13.600  -2.797   2.767
  608    HA   ALA  81           HA       ALA  81  16.483  -2.798   2.659
  609    HB1  ALA  81           HB1      ALA  81  16.576  -1.045   4.402
  610    HB2  ALA  81           HB2      ALA  81  14.832  -0.827   4.262
  611    HB3  ALA  81           HB3      ALA  81  15.883  -0.432   2.900
  612    H28  SXH 101          H28B      SXH 101  -6.235  10.006  -3.029
  613   H28A  SXH 101          H28A      SXH 101  -6.162   9.666  -1.318
  614    H30  SXH 101          H30C      SXH 101  -5.137  13.616  -2.322
  615   H30A  SXH 101          H30A      SXH 101  -6.827  13.071  -2.096
  616   H30B  SXH 101          H30B      SXH 101  -5.896  12.507  -3.486
  617    H31  SXH 101          H31A      SXH 101  -6.366  12.106   0.079
  618   H31A  SXH 101          H31C      SXH 101  -5.090  10.901   0.250
  619   H31B  SXH 101          H31B      SXH 101  -4.665  12.603   0.015
  620    H32  SXH 101          H32A      SXH 101  -3.225  12.085  -2.047
  621   HO33  SXH 101          H33A      SXH 101  -2.450  10.636  -1.015
  622   HN36  SXH 101          H36A      SXH 101  -2.209   9.995  -2.965
  623    H37  SXH 101          H37A      SXH 101  -1.474  10.242  -5.544
  624   H37A  SXH 101          H37B      SXH 101  -1.731   8.627  -4.863
  625    H38  SXH 101          H38A      SXH 101  -3.752  10.177  -6.407
  626   H38A  SXH 101          H38B      SXH 101  -2.788   8.796  -6.990
  627   HN41  SXH 101          H41A      SXH 101  -3.150   7.758  -4.183
  628    H42  SXH 101          H42A      SXH 101  -4.895   6.932  -2.870
  629   H42A  SXH 101          H42B      SXH 101  -5.890   6.768  -4.330
  630    H43  SXH 101          H43A      SXH 101  -4.420   5.130  -5.172
  631   H43A  SXH 101          H43B      SXH 101  -4.899   4.668  -3.494
  632    H2   SXH 101           H2A      SXH 101  -0.835   3.681  -2.820
  633    H2A  SXH 101           H2B      SXH 101  -0.419   2.948  -4.364
  634    H3   SXH 101           H3A      SXH 101  -1.708   1.019  -3.912
  635    H3A  SXH 101           H3B      SXH 101  -2.420   1.746  -2.465
  636    H4   SXH 101           H4B      SXH 101  -0.658   0.087  -1.960
  637    H4A  SXH 101           H4A      SXH 101   0.500   1.087  -2.826
  638    H5   SXH 101           H5A      SXH 101  -1.016   1.860  -0.323
  639    H5A  SXH 101           H5B      SXH 101   0.107   2.915  -1.204
  640    H6   SXH 101           H6C      SXH 101   1.181   1.860   0.702
  641    H6A  SXH 101           H6A      SXH 101   1.898   1.321  -0.818
  642    H6B  SXH 101           H6B      SXH 101   0.783   0.269   0.050
  Start of MODEL   10
    1    H1   ALA   1           HT1      ALA   1  13.857  -7.178   5.251
    2    H2   ALA   1           HT2      ALA   1  12.997  -5.852   4.677
    3    H3   ALA   1           HT3      ALA   1  14.632  -6.027   4.264
    4    HA   ALA   1           HA       ALA   1  13.168  -6.649   2.441
    5    HB1  ALA   1           HB1      ALA   1  14.470  -9.040   3.758
    6    HB2  ALA   1           HB2      ALA   1  15.270  -7.883   2.693
    7    HB3  ALA   1           HB3      ALA   1  14.000  -8.925   2.061
    8    H    ALA   2           HN       ALA   2  11.582  -8.300   1.678
    9    HA   ALA   2           HA       ALA   2   9.980  -9.730   3.602
   10    HB1  ALA   2           HB1      ALA   2   8.750  -7.414   2.096
   11    HB2  ALA   2           HB2      ALA   2   9.070  -7.424   3.835
   12    HB3  ALA   2           HB3      ALA   2   7.893  -8.543   3.147
   13    H    THR   3           HN       THR   3   7.703  -9.998   1.917
   14    HA   THR   3           HA       THR   3   8.866 -11.012  -0.556
   15    HB   THR   3           HB       THR   3   7.201 -12.907  -0.361
   16    HG1  THR   3           HG1      THR   3   6.939 -13.161   2.196
   17   HG21  THR   3          HG21      THR   3   8.586 -14.278   1.153
   18   HG22  THR   3          HG22      THR   3   9.362 -12.811   1.759
   19   HG23  THR   3          HG23      THR   3   9.586 -13.297   0.078
   20    H    GLN   4           HN       GLN   4   6.596 -11.784  -1.825
   21    HA   GLN   4           HA       GLN   4   5.250  -9.354  -2.288
   22    HB2  GLN   4           HB2      GLN   4   5.439 -11.030  -4.079
   23    HB3  GLN   4           HB1      GLN   4   4.561 -12.200  -3.118
   24    HG2  GLN   4           HG2      GLN   4   3.190  -9.650  -3.881
   25    HG3  GLN   4           HG1      GLN   4   3.419 -10.888  -5.105
   26   HE21  GLN   4          HE21      GLN   4   1.782 -10.061  -2.159
   27   HE22  GLN   4          HE22      GLN   4   0.628 -11.326  -2.148
   28    H    GLU   5           HN       GLU   5   4.369 -12.348  -0.636
   29    HA   GLU   5           HA       GLU   5   1.827 -11.636   0.187
   30    HB2  GLU   5           HB2      GLU   5   2.730 -13.902   0.318
   31    HB3  GLU   5           HB1      GLU   5   3.850 -13.389   1.575
   32    HG2  GLU   5           HG2      GLU   5   1.902 -12.728   2.924
   33    HG3  GLU   5           HG1      GLU   5   0.860 -13.503   1.731
   34    H    GLU   6           HN       GLU   6   4.930 -11.211   1.820
   35    HA   GLU   6           HA       GLU   6   3.761 -10.211   4.173
   36    HB2  GLU   6           HB2      GLU   6   6.604 -10.131   3.261
   37    HB3  GLU   6           HB1      GLU   6   6.085  -9.432   4.793
   38    HG2  GLU   6           HG2      GLU   6   5.155 -11.624   5.431
   39    HG3  GLU   6           HG1      GLU   6   5.802 -12.293   3.934
   40    H    ILE   7           HN       ILE   7   5.294  -8.326   1.483
   41    HA   ILE   7           HA       ILE   7   4.819  -5.836   2.598
   42    HB   ILE   7           HB       ILE   7   4.606  -6.707  -0.284
   43   HG12  ILE   7          HG12      ILE   7   6.912  -5.558   1.278
   44   HG13  ILE   7          HG11      ILE   7   6.720  -7.243   0.822
   45   HG21  ILE   7          HG21      ILE   7   3.552  -4.523   0.090
   46   HG22  ILE   7          HG22      ILE   7   5.056  -4.346  -0.814
   47   HG23  ILE   7          HG23      ILE   7   5.008  -3.952   0.904
   48   HD11  ILE   7          HD11      ILE   7   6.775  -6.631  -1.511
   49   HD12  ILE   7          HD12      ILE   7   8.226  -6.101  -0.659
   50   HD13  ILE   7          HD13      ILE   7   6.965  -4.938  -1.062
   51    H    VAL   8           HN       VAL   8   2.799  -7.829   0.566
   52    HA   VAL   8           HA       VAL   8   0.601  -6.112   0.319
   53    HB   VAL   8           HB       VAL   8   0.698  -9.143   0.213
   54   HG11  VAL   8          HG11      VAL   8  -1.528  -9.042  -0.832
   55   HG12  VAL   8          HG12      VAL   8  -1.603  -7.309  -0.502
   56   HG13  VAL   8          HG13      VAL   8  -1.574  -8.459   0.830
   57   HG21  VAL   8          HG21      VAL   8   0.423  -8.720  -2.200
   58   HG22  VAL   8          HG22      VAL   8   1.899  -8.035  -1.530
   59   HG23  VAL   8          HG23      VAL   8   0.533  -6.984  -1.880
   60    H    ALA   9           HN       ALA   9   1.018  -8.768   2.658
   61    HA   ALA   9           HA       ALA   9  -1.380  -8.299   4.066
   62    HB1  ALA   9           HB1      ALA   9   1.160  -9.569   5.087
   63    HB2  ALA   9           HB2      ALA   9  -0.119 -10.404   4.208
   64    HB3  ALA   9           HB3      ALA   9  -0.443  -9.722   5.804
   65    H    GLY  10           HN       GLY  10   1.767  -6.834   4.320
   66    HA2  GLY  10           HA2      GLY  10   1.441  -5.694   6.891
   67    HA3  GLY  10           HA1      GLY  10   2.653  -5.264   5.686
   68    H    LEU  11           HN       LEU  11   1.047  -4.577   3.589
   69    HA   LEU  11           HA       LEU  11   0.137  -1.920   4.224
   70    HB2  LEU  11           HB2      LEU  11  -0.535  -3.662   1.842
   71    HB3  LEU  11           HB1      LEU  11  -0.768  -1.936   1.948
   72    HG   LEU  11           HG       LEU  11   1.917  -3.312   1.933
   73   HD11  LEU  11          HD11      LEU  11   0.455  -1.829  -0.249
   74   HD12  LEU  11          HD12      LEU  11   0.752  -3.566  -0.195
   75   HD13  LEU  11          HD13      LEU  11   2.104  -2.443  -0.346
   76   HD21  LEU  11          HD21      LEU  11   1.917  -1.174   3.106
   77   HD22  LEU  11          HD22      LEU  11   1.151  -0.406   1.714
   78   HD23  LEU  11          HD23      LEU  11   2.783  -1.060   1.575
   79    H    ALA  12           HN       ALA  12  -1.436  -4.957   3.488
   80    HA   ALA  12           HA       ALA  12  -4.054  -4.128   3.521
   81    HB1  ALA  12           HB1      ALA  12  -4.662  -6.376   3.836
   82    HB2  ALA  12           HB2      ALA  12  -3.022  -6.806   4.361
   83    HB3  ALA  12           HB3      ALA  12  -3.321  -6.271   2.694
   84    H    GLU  13           HN       GLU  13  -2.144  -5.433   6.253
   85    HA   GLU  13           HA       GLU  13  -4.267  -5.375   8.067
   86    HB2  GLU  13           HB2      GLU  13  -2.577  -5.446   9.877
   87    HB3  GLU  13           HB1      GLU  13  -2.258  -6.626   8.618
   88    HG2  GLU  13           HG2      GLU  13  -0.544  -5.206   7.688
   89    HG3  GLU  13           HG1      GLU  13  -0.893  -3.965   8.881
   90    H    ILE  14           HN       ILE  14  -2.234  -2.876   6.968
   91    HA   ILE  14           HA       ILE  14  -3.085  -0.960   8.950
   92    HB   ILE  14           HB       ILE  14  -1.891  -0.453   6.195
   93   HG12  ILE  14          HG12      ILE  14  -0.460  -0.627   8.840
   94   HG13  ILE  14          HG11      ILE  14  -0.602  -1.990   7.736
   95   HG21  ILE  14          HG21      ILE  14  -1.179   1.671   7.239
   96   HG22  ILE  14          HG22      ILE  14  -1.966   1.194   8.746
   97   HG23  ILE  14          HG23      ILE  14  -2.936   1.514   7.307
   98   HD11  ILE  14          HD11      ILE  14   1.521  -0.871   7.495
   99   HD12  ILE  14          HD12      ILE  14   0.690   0.647   7.102
  100   HD13  ILE  14          HD13      ILE  14   0.541  -0.759   6.034
  101    H    VAL  15           HN       VAL  15  -3.853  -1.460   5.495
  102    HA   VAL  15           HA       VAL  15  -5.895   0.338   5.049
  103    HB   VAL  15           HB       VAL  15  -5.904  -2.504   4.002
  104   HG11  VAL  15          HG11      VAL  15  -6.931   0.063   2.786
  105   HG12  VAL  15          HG12      VAL  15  -7.915  -1.227   3.477
  106   HG13  VAL  15          HG13      VAL  15  -6.976  -1.528   2.028
  107   HG21  VAL  15          HG21      VAL  15  -4.520  -1.772   2.204
  108   HG22  VAL  15          HG22      VAL  15  -3.705  -1.492   3.738
  109   HG23  VAL  15          HG23      VAL  15  -4.443  -0.135   2.870
  110    H    ASN  16           HN       ASN  16  -6.059  -2.901   6.416
  111    HA   ASN  16           HA       ASN  16  -8.710  -3.463   6.886
  112    HB2  ASN  16           HB2      ASN  16  -6.268  -3.915   8.538
  113    HB3  ASN  16           HB1      ASN  16  -7.832  -4.305   9.242
  114   HD21  ASN  16          HD21      ASN  16  -7.023  -4.777   5.837
  115   HD22  ASN  16          HD22      ASN  16  -6.946  -6.480   5.959
  116    H    GLU  17           HN       GLU  17  -6.639  -1.390   8.845
  117    HA   GLU  17           HA       GLU  17  -8.570  -0.995  10.880
  118    HB2  GLU  17           HB2      GLU  17  -6.091   0.616  10.331
  119    HB3  GLU  17           HB1      GLU  17  -6.968   0.484  11.853
  120    HG2  GLU  17           HG2      GLU  17  -6.401  -1.891  11.954
  121    HG3  GLU  17           HG1      GLU  17  -5.503  -1.730  10.451
  122    H    ILE  18           HN       ILE  18  -7.383   0.998   8.205
  123    HA   ILE  18           HA       ILE  18  -9.033   3.222   9.120
  124    HB   ILE  18           HB       ILE  18  -7.519   3.100   6.532
  125   HG12  ILE  18          HG12      ILE  18  -6.430   4.168   9.143
  126   HG13  ILE  18          HG11      ILE  18  -6.013   2.562   8.508
  127   HG21  ILE  18          HG21      ILE  18  -9.107   4.942   6.803
  128   HG22  ILE  18          HG22      ILE  18  -7.450   5.545   6.847
  129   HG23  ILE  18          HG23      ILE  18  -8.364   5.371   8.345
  130   HD11  ILE  18          HD11      ILE  18  -5.542   5.217   7.199
  131   HD12  ILE  18          HD12      ILE  18  -5.106   3.660   6.530
  132   HD13  ILE  18          HD13      ILE  18  -4.320   4.234   8.011
  133    H    ALA  19           HN       ALA  19  -8.784   1.375   6.009
  134    HA   ALA  19           HA       ALA  19 -11.412   2.445   5.301
  135    HB1  ALA  19           HB1      ALA  19  -9.555   0.764   3.661
  136    HB2  ALA  19           HB2      ALA  19  -9.624   2.526   3.665
  137    HB3  ALA  19           HB3      ALA  19 -11.007   1.589   3.097
  138    H    GLY  20           HN       GLY  20 -10.017  -0.553   6.307
  139    HA2  GLY  20           HA2      GLY  20 -11.280  -2.313   7.175
  140    HA3  GLY  20           HA1      GLY  20 -12.703  -1.644   6.399
  141    H    ILE  21           HN       ILE  21  -9.995  -1.880   4.290
  142    HA   ILE  21           HA       ILE  21 -11.264  -3.887   2.733
  143    HB   ILE  21           HB       ILE  21  -8.486  -2.721   2.571
  144   HG12  ILE  21          HG12      ILE  21 -10.172  -1.065   2.218
  145   HG13  ILE  21          HG11      ILE  21  -9.538  -1.524   0.637
  146   HG21  ILE  21          HG21      ILE  21  -8.416  -3.727   0.352
  147   HG22  ILE  21          HG22      ILE  21 -10.030  -4.428   0.613
  148   HG23  ILE  21          HG23      ILE  21  -8.667  -4.964   1.580
  149   HD11  ILE  21          HD11      ILE  21 -11.957  -1.363   0.538
  150   HD12  ILE  21          HD12      ILE  21 -12.068  -2.509   1.893
  151   HD13  ILE  21          HD13      ILE  21 -11.422  -3.048   0.355
  152    HA   PRO  22           HA       PRO  22  -9.443  -6.980   5.580
  153    HB2  PRO  22           HB2      PRO  22 -10.225  -8.974   3.574
  154    HB3  PRO  22           HB1      PRO  22 -10.743  -8.810   5.254
  155    HG2  PRO  22           HG2      PRO  22 -12.349  -8.268   3.184
  156    HG3  PRO  22           HG1      PRO  22 -12.461  -7.391   4.722
  157    HD2  PRO  22           HD2      PRO  22 -11.259  -6.533   2.125
  158    HD3  PRO  22           HD1      PRO  22 -12.152  -5.577   3.330
  159    H    VAL  23           HN       VAL  23  -7.718  -8.436   5.680
  160    HA   VAL  23           HA       VAL  23  -5.561  -7.823   3.973
  161    HB   VAL  23           HB       VAL  23  -4.276  -9.652   5.135
  162   HG11  VAL  23          HG11      VAL  23  -4.315  -7.401   6.067
  163   HG12  VAL  23          HG12      VAL  23  -4.236  -8.626   7.330
  164   HG13  VAL  23          HG13      VAL  23  -5.761  -7.809   6.995
  165   HG21  VAL  23          HG21      VAL  23  -6.084 -11.220   5.519
  166   HG22  VAL  23          HG22      VAL  23  -6.882 -10.075   6.588
  167   HG23  VAL  23          HG23      VAL  23  -5.334 -10.789   7.058
  168    H    GLU  24           HN       GLU  24  -8.000 -10.131   3.763
  169    HA   GLU  24           HA       GLU  24  -6.546 -11.840   1.931
  170    HB2  GLU  24           HB2      GLU  24  -8.631 -13.174   1.912
  171    HB3  GLU  24           HB1      GLU  24  -7.911 -12.988   3.503
  172    HG2  GLU  24           HG2      GLU  24  -9.547 -11.244   4.027
  173    HG3  GLU  24           HG1      GLU  24 -10.277 -11.466   2.437
  174    H    ASP  25           HN       ASP  25  -8.545  -9.036   1.763
  175    HA   ASP  25           HA       ASP  25  -9.529  -9.797  -0.843
  176    HB2  ASP  25           HB2      ASP  25 -10.917  -8.549   0.943
  177    HB3  ASP  25           HB1      ASP  25  -9.925  -7.148   0.562
  178    H    VAL  26           HN       VAL  26  -7.291  -7.627   0.786
  179    HA   VAL  26           HA       VAL  26  -6.270  -6.210  -1.386
  180    HB   VAL  26           HB       VAL  26  -4.871  -7.120   1.159
  181   HG11  VAL  26          HG11      VAL  26  -3.388  -5.206   0.834
  182   HG12  VAL  26          HG12      VAL  26  -4.126  -4.893  -0.740
  183   HG13  VAL  26          HG13      VAL  26  -3.227  -6.387  -0.467
  184   HG21  VAL  26          HG21      VAL  26  -6.860  -5.833   1.633
  185   HG22  VAL  26          HG22      VAL  26  -6.308  -4.550   0.556
  186   HG23  VAL  26          HG23      VAL  26  -5.413  -4.914   2.031
  187    H    LYS  27           HN       LYS  27  -5.984  -7.584  -3.106
  188    HA   LYS  27           HA       LYS  27  -3.632  -9.343  -2.949
  189    HB2  LYS  27           HB2      LYS  27  -6.057  -9.606  -4.755
  190    HB3  LYS  27           HB1      LYS  27  -4.599 -10.580  -4.919
  191    HG2  LYS  27           HG2      LYS  27  -6.426 -10.536  -2.523
  192    HG3  LYS  27           HG1      LYS  27  -6.396 -11.781  -3.777
  193    HD2  LYS  27           HD2      LYS  27  -4.182 -12.413  -3.200
  194    HD3  LYS  27           HD1      LYS  27  -4.000 -11.046  -2.110
  195    HE2  LYS  27           HE2      LYS  27  -5.813 -12.005  -0.708
  196    HE3  LYS  27           HE1      LYS  27  -5.846 -13.415  -1.775
  197    HZ1  LYS  27           HZ1      LYS  27  -4.498 -13.864   0.153
  198    HZ2  LYS  27           HZ2      LYS  27  -3.563 -12.491  -0.119
  199    HZ3  LYS  27           HZ3      LYS  27  -3.497 -13.792  -1.205
  200    H    LEU  28           HN       LEU  28  -2.573  -9.439  -5.291
  201    HA   LEU  28           HA       LEU  28  -1.708  -6.769  -5.272
  202    HB2  LEU  28           HB2      LEU  28   0.062  -7.279  -6.585
  203    HB3  LEU  28           HB1      LEU  28  -0.249  -8.735  -5.678
  204    HG   LEU  28           HG       LEU  28  -1.285  -8.435  -8.453
  205   HD11  LEU  28          HD11      LEU  28   0.887  -9.310  -9.234
  206   HD12  LEU  28          HD12      LEU  28   1.462  -9.252  -7.552
  207   HD13  LEU  28          HD13      LEU  28   1.040  -7.761  -8.378
  208   HD21  LEU  28          HD21      LEU  28  -0.304 -10.792  -6.819
  209   HD22  LEU  28          HD22      LEU  28  -0.965 -10.877  -8.451
  210   HD23  LEU  28          HD23      LEU  28  -1.995 -10.380  -7.107
  211    H    ASP  29           HN       ASP  29  -3.809  -8.355  -7.553
  212    HA   ASP  29           HA       ASP  29  -3.583  -5.977  -9.269
  213    HB2  ASP  29           HB2      ASP  29  -5.161  -7.015 -10.849
  214    HB3  ASP  29           HB1      ASP  29  -3.800  -8.057 -10.484
  215    H    LYS  30           HN       LYS  30  -4.838  -6.150  -6.523
  216    HA   LYS  30           HA       LYS  30  -7.495  -5.288  -7.116
  217    HB2  LYS  30           HB2      LYS  30  -6.024  -6.143  -4.660
  218    HB3  LYS  30           HB1      LYS  30  -7.440  -5.125  -4.510
  219    HG2  LYS  30           HG2      LYS  30  -7.872  -7.542  -4.200
  220    HG3  LYS  30           HG1      LYS  30  -8.836  -6.788  -5.463
  221    HD2  LYS  30           HD2      LYS  30  -7.351  -7.736  -7.146
  222    HD3  LYS  30           HD1      LYS  30  -6.370  -8.456  -5.869
  223    HE2  LYS  30           HE2      LYS  30  -7.916 -10.075  -6.860
  224    HE3  LYS  30           HE1      LYS  30  -8.241  -9.803  -5.149
  225    HZ1  LYS  30           HZ1      LYS  30 -10.128  -8.508  -5.673
  226    HZ2  LYS  30           HZ2      LYS  30 -10.215  -9.899  -6.640
  227    HZ3  LYS  30           HZ3      LYS  30  -9.739  -8.419  -7.307
  228    H    SER  31           HN       SER  31  -6.999  -3.473  -8.075
  229    HA   SER  31           HA       SER  31  -5.480  -1.367  -7.100
  230    HB2  SER  31           HB2      SER  31  -6.578  -1.418  -9.344
  231    HB3  SER  31           HB1      SER  31  -8.133  -1.208  -8.550
  232    HG   SER  31           HG       SER  31  -6.952   0.670  -9.439
  233    H    PHE  32           HN       PHE  32  -5.603  -0.829  -5.123
  234    HA   PHE  32           HA       PHE  32  -7.386  -1.149  -3.212
  235    HB2  PHE  32           HB2      PHE  32  -5.485   1.063  -3.634
  236    HB3  PHE  32           HB1      PHE  32  -6.573   1.144  -2.249
  237    HD1  PHE  32           HD1      PHE  32  -6.423  -0.710  -0.431
  238    HD2  PHE  32           HD2      PHE  32  -3.643  -0.362  -3.703
  239    HE1  PHE  32           HE1      PHE  32  -4.915  -2.159   0.688
  240    HE2  PHE  32           HE2      PHE  32  -2.116  -1.819  -2.540
  241    HZ   PHE  32           HZ       PHE  32  -2.794  -2.639  -0.107
  242    H    THR  33           HN       THR  33  -7.601   1.950  -5.155
  243    HA   THR  33           HA       THR  33 -10.218   2.342  -4.010
  244    HB   THR  33           HB       THR  33 -10.097   4.473  -5.472
  245    HG1  THR  33           HG1      THR  33  -7.955   5.111  -5.853
  246   HG21  THR  33          HG21      THR  33  -8.198   4.050  -3.180
  247   HG22  THR  33          HG22      THR  33  -9.909   4.468  -3.053
  248   HG23  THR  33          HG23      THR  33  -8.769   5.607  -3.770
  249    H    ASP  34           HN       ASP  34  -9.916   0.138  -5.881
  250    HA   ASP  34           HA       ASP  34 -12.126   0.904  -7.625
  251    HB2  ASP  34           HB2      ASP  34 -10.189   1.280  -9.054
  252    HB3  ASP  34           HB1      ASP  34  -9.592  -0.330  -8.694
  253    H    ASP  35           HN       ASP  35 -10.023  -1.763  -6.658
  254    HA   ASP  35           HA       ASP  35 -12.161  -3.703  -7.191
  255    HB2  ASP  35           HB2      ASP  35  -9.799  -4.176  -7.798
  256    HB3  ASP  35           HB1      ASP  35  -9.341  -4.166  -6.125
  257    H    LEU  36           HN       LEU  36 -10.099  -2.674  -4.611
  258    HA   LEU  36           HA       LEU  36 -11.271  -4.260  -2.545
  259    HB2  LEU  36           HB2      LEU  36  -9.433  -1.902  -2.482
  260    HB3  LEU  36           HB1      LEU  36  -9.773  -2.967  -1.133
  261    HG   LEU  36           HG       LEU  36  -8.428  -3.729  -3.723
  262   HD11  LEU  36          HD11      LEU  36  -7.359  -3.592  -0.920
  263   HD12  LEU  36          HD12      LEU  36  -6.988  -2.465  -2.220
  264   HD13  LEU  36          HD13      LEU  36  -6.480  -4.152  -2.340
  265   HD21  LEU  36          HD21      LEU  36  -8.098  -5.895  -2.699
  266   HD22  LEU  36          HD22      LEU  36  -9.808  -5.515  -2.913
  267   HD23  LEU  36          HD23      LEU  36  -9.065  -5.389  -1.315
  268    H    ASP  37           HN       ASP  37 -10.882  -0.929  -2.757
  269    HA   ASP  37           HA       ASP  37 -12.345   0.829  -2.799
  270    HB2  ASP  37           HB2      ASP  37 -14.355  -1.039  -1.661
  271    HB3  ASP  37           HB1      ASP  37 -14.551   0.668  -1.319
  272    H    VAL  38           HN       VAL  38 -10.343   1.014  -1.665
  273    HA   VAL  38           HA       VAL  38 -10.636   1.621   1.137
  274    HB   VAL  38           HB       VAL  38  -8.448   0.823   0.080
  275   HG11  VAL  38          HG11      VAL  38  -7.032   2.422  -1.063
  276   HG12  VAL  38          HG12      VAL  38  -8.369   3.573  -1.081
  277   HG13  VAL  38          HG13      VAL  38  -8.503   2.049  -1.960
  278   HG21  VAL  38          HG21      VAL  38  -8.293   3.469   1.493
  279   HG22  VAL  38          HG22      VAL  38  -6.957   2.336   1.284
  280   HG23  VAL  38          HG23      VAL  38  -8.363   1.876   2.246
  281    H    ASP  39           HN       ASP  39 -10.492   3.903   1.911
  282    HA   ASP  39           HA       ASP  39 -12.113   5.649   0.313
  283    HB2  ASP  39           HB2      ASP  39 -10.715   6.058   2.956
  284    HB3  ASP  39           HB1      ASP  39 -11.780   7.234   2.207
  285    H    SER  40           HN       SER  40  -9.085   4.936  -0.086
  286    HA   SER  40           HA       SER  40  -7.155   5.729  -0.801
  287    HB2  SER  40           HB2      SER  40  -7.079   7.571  -2.327
  288    HB3  SER  40           HB1      SER  40  -8.626   6.748  -2.588
  289    H    LEU  41           HN       LEU  41  -8.837   7.848   1.283
  290    HA   LEU  41           HA       LEU  41  -6.729   9.624   1.936
  291    HB2  LEU  41           HB2      LEU  41  -9.070   8.775   3.624
  292    HB3  LEU  41           HB1      LEU  41  -8.119  10.230   3.815
  293    HG   LEU  41           HG       LEU  41  -9.896   9.626   1.459
  294   HD11  LEU  41          HD11      LEU  41 -11.342  11.369   2.395
  295   HD12  LEU  41          HD12      LEU  41 -10.282  11.487   3.797
  296   HD13  LEU  41          HD13      LEU  41 -11.184  10.003   3.499
  297   HD21  LEU  41          HD21      LEU  41  -8.013  11.059   0.877
  298   HD22  LEU  41          HD22      LEU  41  -8.397  12.132   2.221
  299   HD23  LEU  41          HD23      LEU  41  -9.521  11.972   0.870
  300    H    SER  42           HN       SER  42  -7.823   6.496   2.966
  301    HA   SER  42           HA       SER  42  -6.552   6.042   5.319
  302    HB2  SER  42           HB2      SER  42  -6.864   4.145   3.033
  303    HB3  SER  42           HB1      SER  42  -6.965   3.769   4.745
  304    HG   SER  42           HG       SER  42  -8.843   5.502   4.469
  305    H    MET  43           HN       MET  43  -5.516   6.107   1.977
  306    HA   MET  43           HA       MET  43  -3.343   4.352   2.265
  307    HB2  MET  43           HB2      MET  43  -4.666   4.983   0.176
  308    HB3  MET  43           HB1      MET  43  -3.581   6.364   0.077
  309    HG2  MET  43           HG2      MET  43  -2.778   4.546  -1.293
  310    HG3  MET  43           HG1      MET  43  -1.672   4.855   0.066
  311    HE1  MET  43           HE1      MET  43  -5.140   3.100   0.259
  312    HE2  MET  43           HE2      MET  43  -4.705   1.408  -0.004
  313    HE3  MET  43           HE3      MET  43  -4.519   2.584  -1.307
  314    H    VAL  44           HN       VAL  44  -3.713   7.766   2.758
  315    HA   VAL  44           HA       VAL  44  -0.998   8.371   2.630
  316    HB   VAL  44           HB       VAL  44  -3.144   9.637   4.400
  317   HG11  VAL  44          HG11      VAL  44  -0.364  10.668   3.782
  318   HG12  VAL  44          HG12      VAL  44  -0.906  10.057   5.345
  319   HG13  VAL  44          HG13      VAL  44  -1.609  11.533   4.684
  320   HG21  VAL  44          HG21      VAL  44  -3.126  11.418   2.721
  321   HG22  VAL  44          HG22      VAL  44  -3.487   9.852   1.984
  322   HG23  VAL  44          HG23      VAL  44  -1.898  10.542   1.813
  323    H    GLU  45           HN       GLU  45  -3.066   7.577   5.427
  324    HA   GLU  45           HA       GLU  45  -0.971   7.322   7.278
  325    HB2  GLU  45           HB2      GLU  45  -3.755   6.180   7.261
  326    HB3  GLU  45           HB1      GLU  45  -2.678   6.185   8.650
  327    HG2  GLU  45           HG2      GLU  45  -3.714   8.618   7.232
  328    HG3  GLU  45           HG1      GLU  45  -4.340   7.973   8.748
  329    H    VAL  46           HN       VAL  46  -2.554   5.097   5.073
  330    HA   VAL  46           HA       VAL  46  -1.527   2.712   6.127
  331    HB   VAL  46           HB       VAL  46  -2.469   3.321   3.286
  332   HG11  VAL  46          HG11      VAL  46  -0.904   1.421   3.207
  333   HG12  VAL  46          HG12      VAL  46  -2.586   0.899   2.962
  334   HG13  VAL  46          HG13      VAL  46  -1.813   0.647   4.516
  335   HG21  VAL  46          HG21      VAL  46  -3.741   1.807   5.557
  336   HG22  VAL  46          HG22      VAL  46  -4.398   1.945   3.933
  337   HG23  VAL  46          HG23      VAL  46  -4.238   3.386   4.946
  338    H    VAL  47           HN       VAL  47  -0.211   4.917   3.568
  339    HA   VAL  47           HA       VAL  47   1.925   3.054   3.315
  340    HB   VAL  47           HB       VAL  47   1.606   5.702   1.911
  341   HG11  VAL  47          HG11      VAL  47   3.847   4.743   1.872
  342   HG12  VAL  47          HG12      VAL  47   3.067   4.670   0.286
  343   HG13  VAL  47          HG13      VAL  47   3.181   3.216   1.280
  344   HG21  VAL  47          HG21      VAL  47   0.738   2.963   1.036
  345   HG22  VAL  47          HG22      VAL  47   0.711   4.422   0.046
  346   HG23  VAL  47          HG23      VAL  47  -0.321   4.303   1.470
  347    H    VAL  48           HN       VAL  48   1.376   6.128   4.884
  348    HA   VAL  48           HA       VAL  48   4.115   6.585   5.513
  349    HB   VAL  48           HB       VAL  48   1.595   7.389   7.043
  350   HG11  VAL  48          HG11      VAL  48   4.425   8.370   7.457
  351   HG12  VAL  48          HG12      VAL  48   3.515   7.355   8.576
  352   HG13  VAL  48          HG13      VAL  48   2.983   9.006   8.251
  353   HG21  VAL  48          HG21      VAL  48   1.792   8.372   4.842
  354   HG22  VAL  48          HG22      VAL  48   3.424   8.925   5.217
  355   HG23  VAL  48          HG23      VAL  48   2.043   9.600   6.086
  356    H    ALA  49           HN       ALA  49   1.738   4.505   6.838
  357    HA   ALA  49           HA       ALA  49   3.291   3.655   9.087
  358    HB1  ALA  49           HB1      ALA  49   0.990   2.296   7.664
  359    HB2  ALA  49           HB2      ALA  49   0.847   3.383   9.035
  360    HB3  ALA  49           HB3      ALA  49   1.642   1.814   9.229
  361    H    ALA  50           HN       ALA  50   2.676   2.519   5.827
  362    HA   ALA  50           HA       ALA  50   4.250   0.218   5.843
  363    HB1  ALA  50           HB1      ALA  50   4.171   0.349   3.418
  364    HB2  ALA  50           HB2      ALA  50   3.604   2.015   3.516
  365    HB3  ALA  50           HB3      ALA  50   2.594   0.703   4.120
  366    H    GLU  51           HN       GLU  51   5.073   3.592   5.132
  367    HA   GLU  51           HA       GLU  51   7.592   3.354   4.080
  368    HB2  GLU  51           HB2      GLU  51   6.462   5.424   5.938
  369    HB3  GLU  51           HB1      GLU  51   7.965   5.628   5.086
  370    HG2  GLU  51           HG2      GLU  51   6.718   5.472   2.963
  371    HG3  GLU  51           HG1      GLU  51   5.222   5.397   3.885
  372    H    GLU  52           HN       GLU  52   6.438   3.465   7.324
  373    HA   GLU  52           HA       GLU  52   9.003   3.668   8.549
  374    HB2  GLU  52           HB2      GLU  52   7.058   4.799   9.404
  375    HB3  GLU  52           HB1      GLU  52   6.224   3.270   9.606
  376    HG2  GLU  52           HG2      GLU  52   7.789   2.633  11.330
  377    HG3  GLU  52           HG1      GLU  52   8.681   4.138  11.090
  378    H    ARG  53           HN       ARG  53   6.576   1.162   8.063
  379    HA   ARG  53           HA       ARG  53   8.000  -0.695   9.735
  380    HB2  ARG  53           HB2      ARG  53   6.243  -2.272   9.224
  381    HB3  ARG  53           HB1      ARG  53   5.547  -0.696   9.605
  382    HG2  ARG  53           HG2      ARG  53   5.208  -0.268   7.265
  383    HG3  ARG  53           HG1      ARG  53   5.925  -1.824   6.855
  384    HD2  ARG  53           HD2      ARG  53   3.418  -1.392   8.479
  385    HD3  ARG  53           HD1      ARG  53   3.551  -1.883   6.780
  386    HE   ARG  53           HE       ARG  53   4.873  -3.837   7.775
  387   HH11  ARG  53          HH11      ARG  53   2.158  -2.305   9.578
  388   HH12  ARG  53          HH12      ARG  53   1.519  -3.806  10.067
  389   HH21  ARG  53          HH21      ARG  53   3.880  -5.894   8.502
  390   HH22  ARG  53          HH22      ARG  53   2.453  -5.828   9.442
  391    H    PHE  54           HN       PHE  54   7.706  -0.092   6.301
  392    HA   PHE  54           HA       PHE  54   9.244  -2.481   5.718
  393    HB2  PHE  54           HB2      PHE  54   7.791  -0.529   3.947
  394    HB3  PHE  54           HB1      PHE  54   8.795  -1.824   3.309
  395    HD1  PHE  54           HD1      PHE  54   8.151  -4.196   4.540
  396    HD2  PHE  54           HD2      PHE  54   5.570  -0.888   3.869
  397    HE1  PHE  54           HE1      PHE  54   6.206  -5.700   4.611
  398    HE2  PHE  54           HE2      PHE  54   3.623  -2.383   3.945
  399    HZ   PHE  54           HZ       PHE  54   3.942  -4.791   4.317
  400    H    ASP  55           HN       ASP  55   9.787   0.744   6.351
  401    HA   ASP  55           HA       ASP  55  11.546   2.126   6.320
  402    HB2  ASP  55           HB2      ASP  55  12.593  -0.019   7.326
  403    HB3  ASP  55           HB1      ASP  55  13.323  -0.268   5.749
  404    H    VAL  56           HN       VAL  56  10.233   1.222   3.893
  405    HA   VAL  56           HA       VAL  56  12.210   1.602   1.786
  406    HB   VAL  56           HB       VAL  56  10.632  -0.223   1.461
  407   HG11  VAL  56          HG11      VAL  56   8.217   0.165   1.146
  408   HG12  VAL  56          HG12      VAL  56   8.469   1.855   1.564
  409   HG13  VAL  56          HG13      VAL  56   8.777   0.607   2.764
  410   HG21  VAL  56          HG21      VAL  56  10.054   2.047  -0.417
  411   HG22  VAL  56          HG22      VAL  56   9.752   0.331  -0.716
  412   HG23  VAL  56          HG23      VAL  56  11.401   0.909  -0.507
  413    H    LYS  57           HN       LYS  57   9.339   3.011   3.028
  414    HA   LYS  57           HA       LYS  57   8.329   4.998   2.881
  415    HB2  LYS  57           HB2      LYS  57  10.253   6.034   3.738
  416    HB3  LYS  57           HB1      LYS  57  11.115   5.886   2.222
  417    HG2  LYS  57           HG2      LYS  57   9.934   7.658   1.228
  418    HG3  LYS  57           HG1      LYS  57   8.673   7.623   2.460
  419    HD2  LYS  57           HD2      LYS  57  11.540   8.304   3.073
  420    HD3  LYS  57           HD1      LYS  57  10.346   9.517   2.614
  421    HE2  LYS  57           HE2      LYS  57   9.933   7.605   4.918
  422    HE3  LYS  57           HE1      LYS  57  10.672   9.201   5.108
  423    HZ1  LYS  57           HZ1      LYS  57   8.632  10.196   4.376
  424    HZ2  LYS  57           HZ2      LYS  57   8.258   9.066   5.583
  425    HZ3  LYS  57           HZ3      LYS  57   7.969   8.697   3.976
  426    H    ILE  58           HN       ILE  58   6.741   4.919   1.487
  427    HA   ILE  58           HA       ILE  58   7.302   5.930  -1.227
  428    HB   ILE  58           HB       ILE  58   4.621   4.588  -0.627
  429   HG12  ILE  58          HG12      ILE  58   5.573   2.496  -1.782
  430   HG13  ILE  58          HG11      ILE  58   7.157   3.136  -1.356
  431   HG21  ILE  58          HG21      ILE  58   6.069   5.006  -3.199
  432   HG22  ILE  58          HG22      ILE  58   4.678   5.898  -2.582
  433   HG23  ILE  58          HG23      ILE  58   4.504   4.232  -2.995
  434   HD11  ILE  58          HD11      ILE  58   6.590   3.049   0.990
  435   HD12  ILE  58          HD12      ILE  58   6.419   1.460   0.236
  436   HD13  ILE  58          HD13      ILE  58   4.986   2.431   0.592
  437    HA   PRO  59           HA       PRO  59   5.053   9.279   0.804
  438    HB2  PRO  59           HB2      PRO  59   5.476  10.549  -1.837
  439    HB3  PRO  59           HB1      PRO  59   5.949  11.139  -0.241
  440    HG2  PRO  59           HG2      PRO  59   7.769  10.243  -2.009
  441    HG3  PRO  59           HG1      PRO  59   7.951   9.990  -0.262
  442    HD2  PRO  59           HD2      PRO  59   7.083   8.034  -2.367
  443    HD3  PRO  59           HD1      PRO  59   8.092   7.801  -0.930
  444    H    ASP  60           HN       ASP  60   2.783   9.602   0.609
  445    HA   ASP  60           HA       ASP  60   1.242   8.077  -1.075
  446    HB2  ASP  60           HB2      ASP  60  -0.711   9.395  -0.528
  447    HB3  ASP  60           HB1      ASP  60   0.276   9.277   0.907
  448    H    ASP  61           HN       ASP  61   2.850  10.905  -1.950
  449    HA   ASP  61           HA       ASP  61   1.346  11.543  -4.339
  450    HB2  ASP  61           HB2      ASP  61   2.742  13.241  -3.199
  451    HB3  ASP  61           HB1      ASP  61   4.177  12.295  -3.552
  452    H    ASP  62           HN       ASP  62   3.888   9.353  -3.618
  453    HA   ASP  62           HA       ASP  62   4.377   8.819  -6.475
  454    HB2  ASP  62           HB2      ASP  62   6.326   8.723  -4.854
  455    HB3  ASP  62           HB1      ASP  62   5.570   7.303  -4.131
  456    H    VAL  63           HN       VAL  63   2.855   7.634  -3.705
  457    HA   VAL  63           HA       VAL  63   2.055   5.085  -4.235
  458    HB   VAL  63           HB       VAL  63   0.749   7.353  -2.737
  459   HG11  VAL  63          HG11      VAL  63  -0.276   4.523  -2.733
  460   HG12  VAL  63          HG12      VAL  63  -1.093   5.911  -3.476
  461   HG13  VAL  63          HG13      VAL  63  -0.827   5.877  -1.733
  462   HG21  VAL  63          HG21      VAL  63   1.375   6.015  -0.813
  463   HG22  VAL  63          HG22      VAL  63   2.754   6.425  -1.834
  464   HG23  VAL  63          HG23      VAL  63   2.066   4.802  -1.889
  465    H    LYS  64           HN       LYS  64   1.006   7.906  -5.885
  466    HA   LYS  64           HA       LYS  64  -1.391   6.874  -6.772
  467    HB2  LYS  64           HB2      LYS  64  -1.426   8.663  -8.504
  468    HB3  LYS  64           HB1      LYS  64  -1.013   9.262  -6.897
  469    HG2  LYS  64           HG2      LYS  64   1.300   9.376  -7.468
  470    HG3  LYS  64           HG1      LYS  64   0.989   8.632  -9.034
  471    HD2  LYS  64           HD2      LYS  64   1.286  11.053  -9.162
  472    HD3  LYS  64           HD1      LYS  64  -0.312  10.528  -9.718
  473    HE2  LYS  64           HE2      LYS  64  -1.293  11.228  -7.609
  474    HE3  LYS  64           HE1      LYS  64   0.300  11.635  -6.971
  475    HZ1  LYS  64           HZ1      LYS  64  -0.981  12.954  -9.309
  476    HZ2  LYS  64           HZ2      LYS  64   0.513  13.337  -8.579
  477    HZ3  LYS  64           HZ3      LYS  64  -0.910  13.564  -7.722
  478    H    ASN  65           HN       ASN  65   1.820   6.450  -7.744
  479    HA   ASN  65           HA       ASN  65   1.252   5.423 -10.398
  480    HB2  ASN  65           HB2      ASN  65   3.785   5.114  -8.750
  481    HB3  ASN  65           HB1      ASN  65   3.606   4.689 -10.447
  482   HD21  ASN  65          HD21      ASN  65   4.146   7.154  -8.182
  483   HD22  ASN  65          HD22      ASN  65   4.355   8.468  -9.279
  484    H    LEU  66           HN       LEU  66   1.033   4.363  -7.250
  485    HA   LEU  66           HA       LEU  66   1.504   1.520  -7.888
  486    HB2  LEU  66           HB2      LEU  66   0.996   2.804  -5.255
  487    HB3  LEU  66           HB1      LEU  66   1.537   1.172  -5.588
  488    HG   LEU  66           HG       LEU  66   3.070   3.723  -6.019
  489   HD11  LEU  66          HD11      LEU  66   2.782   3.214  -3.674
  490   HD12  LEU  66          HD12      LEU  66   4.460   2.945  -4.143
  491   HD13  LEU  66          HD13      LEU  66   3.373   1.571  -3.929
  492   HD21  LEU  66          HD21      LEU  66   5.025   2.306  -6.400
  493   HD22  LEU  66          HD22      LEU  66   3.759   2.038  -7.598
  494   HD23  LEU  66          HD23      LEU  66   3.994   0.881  -6.288
  495    H    LYS  67           HN       LYS  67  -0.814   2.925  -8.749
  496    HA   LYS  67           HA       LYS  67  -2.859   2.168  -6.961
  497    HB2  LYS  67           HB2      LYS  67  -3.056   3.173  -9.757
  498    HB3  LYS  67           HB1      LYS  67  -4.445   2.653  -8.797
  499    HG2  LYS  67           HG2      LYS  67  -3.790   4.281  -7.061
  500    HG3  LYS  67           HG1      LYS  67  -2.503   4.840  -8.118
  501    HD2  LYS  67           HD2      LYS  67  -4.473   6.292  -8.249
  502    HD3  LYS  67           HD1      LYS  67  -4.106   5.500  -9.788
  503    HE2  LYS  67           HE2      LYS  67  -5.890   3.881  -9.402
  504    HE3  LYS  67           HE1      LYS  67  -6.222   4.597  -7.825
  505    HZ1  LYS  67           HZ1      LYS  67  -6.408   6.085 -10.380
  506    HZ2  LYS  67           HZ2      LYS  67  -7.030   6.568  -8.879
  507    HZ3  LYS  67           HZ3      LYS  67  -7.695   5.252  -9.704
  508    H    THR  68           HN       THR  68  -1.874   0.273  -6.843
  509    HA   THR  68           HA       THR  68  -3.687  -1.692  -6.997
  510    HB   THR  68           HB       THR  68  -2.161  -3.362  -8.182
  511    HG1  THR  68           HG1      THR  68  -1.583  -0.955  -9.542
  512   HG21  THR  68          HG21      THR  68  -4.439  -3.072  -8.800
  513   HG22  THR  68          HG22      THR  68  -3.489  -3.134 -10.309
  514   HG23  THR  68          HG23      THR  68  -4.052  -1.581  -9.656
  515    H    VAL  69           HN       VAL  69  -3.103  -3.443  -5.725
  516    HA   VAL  69           HA       VAL  69  -1.152  -2.831  -3.752
  517    HB   VAL  69           HB       VAL  69  -2.118  -5.595  -4.405
  518   HG11  VAL  69          HG11      VAL  69  -0.274  -5.284  -2.900
  519   HG12  VAL  69          HG12      VAL  69  -1.699  -5.945  -2.030
  520   HG13  VAL  69          HG13      VAL  69  -1.251  -4.225  -1.895
  521   HG21  VAL  69          HG21      VAL  69  -3.945  -5.231  -2.827
  522   HG22  VAL  69          HG22      VAL  69  -4.068  -4.146  -4.215
  523   HG23  VAL  69          HG23      VAL  69  -3.474  -3.541  -2.667
  524    H    GLY  70           HN       GLY  70  -1.033  -4.806  -6.576
  525    HA2  GLY  70           HA2      GLY  70   1.482  -5.974  -6.106
  526    HA3  GLY  70           HA1      GLY  70   0.677  -5.838  -7.662
  527    H    ASP  71           HN       ASP  71   0.541  -2.909  -7.502
  528    HA   ASP  71           HA       ASP  71   3.106  -2.470  -8.723
  529    HB2  ASP  71           HB2      ASP  71   0.758  -1.246  -9.139
  530    HB3  ASP  71           HB1      ASP  71   1.389  -0.268  -7.821
  531    H    ALA  72           HN       ALA  72   1.422  -1.593  -5.799
  532    HA   ALA  72           HA       ALA  72   3.356   0.049  -4.535
  533    HB1  ALA  72           HB1      ALA  72   1.066  -0.245  -3.724
  534    HB2  ALA  72           HB2      ALA  72   2.250  -0.634  -2.475
  535    HB3  ALA  72           HB3      ALA  72   1.422  -1.927  -3.336
  536    H    THR  73           HN       THR  73   2.722  -3.385  -4.246
  537    HA   THR  73           HA       THR  73   4.845  -4.093  -2.601
  538    HB   THR  73           HB       THR  73   3.437  -5.755  -4.713
  539    HG1  THR  73           HG1      THR  73   1.895  -4.942  -3.360
  540   HG21  THR  73          HG21      THR  73   3.941  -7.648  -3.266
  541   HG22  THR  73          HG22      THR  73   4.775  -6.580  -2.138
  542   HG23  THR  73          HG23      THR  73   5.445  -6.854  -3.756
  543    H    LYS  74           HN       LYS  74   4.697  -3.605  -6.056
  544    HA   LYS  74           HA       LYS  74   7.077  -4.941  -6.832
  545    HB2  LYS  74           HB2      LYS  74   5.072  -4.195  -8.250
  546    HB3  LYS  74           HB1      LYS  74   5.787  -2.593  -8.202
  547    HG2  LYS  74           HG2      LYS  74   6.416  -3.559 -10.247
  548    HG3  LYS  74           HG1      LYS  74   7.847  -3.617  -9.213
  549    HD2  LYS  74           HD2      LYS  74   7.557  -5.722 -10.415
  550    HD3  LYS  74           HD1      LYS  74   7.355  -5.947  -8.674
  551    HE2  LYS  74           HE2      LYS  74   4.964  -6.016  -8.886
  552    HE3  LYS  74           HE1      LYS  74   5.048  -5.556 -10.581
  553    HZ1  LYS  74           HZ1      LYS  74   6.116  -8.082  -9.441
  554    HZ2  LYS  74           HZ2      LYS  74   6.112  -7.630 -11.086
  555    HZ3  LYS  74           HZ3      LYS  74   4.662  -7.935 -10.287
  556    H    TYR  75           HN       TYR  75   6.219  -1.583  -6.053
  557    HA   TYR  75           HA       TYR  75   8.773  -0.497  -6.541
  558    HB2  TYR  75           HB2      TYR  75   6.799   0.866  -6.680
  559    HB3  TYR  75           HB1      TYR  75   6.344   0.460  -5.030
  560    HD1  TYR  75           HD1      TYR  75   8.913   2.171  -7.040
  561    HD2  TYR  75           HD2      TYR  75   7.083   1.773  -3.256
  562    HE1  TYR  75           HE1      TYR  75  10.155   4.116  -6.253
  563    HE2  TYR  75           HE2      TYR  75   8.315   3.711  -2.442
  564    HH   TYR  75           HH       TYR  75  10.031   5.787  -4.555
  565    H    ILE  76           HN       ILE  76   6.933  -1.412  -3.715
  566    HA   ILE  76           HA       ILE  76   8.690  -0.617  -1.804
  567    HB   ILE  76           HB       ILE  76   6.561  -2.753  -1.721
  568   HG12  ILE  76          HG12      ILE  76   6.705   0.058  -0.612
  569   HG13  ILE  76          HG11      ILE  76   5.877  -0.421  -2.082
  570   HG21  ILE  76          HG21      ILE  76   6.738  -2.614   0.774
  571   HG22  ILE  76          HG22      ILE  76   8.263  -1.728   0.578
  572   HG23  ILE  76          HG23      ILE  76   8.117  -3.373  -0.005
  573   HD11  ILE  76          HD11      ILE  76   4.337  -0.096  -0.267
  574   HD12  ILE  76          HD12      ILE  76   5.184  -1.306   0.705
  575   HD13  ILE  76          HD13      ILE  76   4.341  -1.785  -0.775
  576    H    LEU  77           HN       LEU  77   8.189  -3.980  -2.918
  577    HA   LEU  77           HA       LEU  77   9.941  -5.286  -1.374
  578    HB2  LEU  77           HB2      LEU  77   8.405  -6.329  -2.946
  579    HB3  LEU  77           HB1      LEU  77   9.422  -5.861  -4.296
  580    HG   LEU  77           HG       LEU  77  11.231  -7.269  -3.107
  581   HD11  LEU  77          HD11      LEU  77   8.778  -8.396  -1.816
  582   HD12  LEU  77          HD12      LEU  77  10.122  -7.577  -1.018
  583   HD13  LEU  77          HD13      LEU  77  10.379  -9.133  -1.804
  584   HD21  LEU  77          HD21      LEU  77  10.215  -7.855  -5.243
  585   HD22  LEU  77          HD22      LEU  77   8.838  -8.566  -4.405
  586   HD23  LEU  77          HD23      LEU  77  10.438  -9.293  -4.246
  587    H    ASP  78           HN       ASP  78  10.604  -3.635  -4.447
  588    HA   ASP  78           HA       ASP  78  13.301  -4.542  -4.791
  589    HB2  ASP  78           HB2      ASP  78  11.901  -3.975  -6.711
  590    HB3  ASP  78           HB1      ASP  78  11.794  -2.310  -6.159
  591    H    HIS  79           HN       HIS  79  11.828  -1.866  -3.211
  592    HA   HIS  79           HA       HIS  79  14.371  -0.435  -2.936
  593    HB2  HIS  79           HB2      HIS  79  11.500   0.354  -2.678
  594    HB3  HIS  79           HB1      HIS  79  12.721   1.336  -1.921
  595    HD1  HIS  79           HD1      HIS  79  13.543   3.186  -3.350
  596    HD2  HIS  79           HD2      HIS  79  11.911   0.118  -5.626
  597    HE1  HIS  79           HE1      HIS  79  13.524   4.035  -5.708
  598    HE2  HIS  79           HE2      HIS  79  12.243   2.328  -6.979
  599    H    GLN  80           HN       GLN  80  12.975  -2.825  -1.324
  600    HA   GLN  80           HA       GLN  80  12.562  -1.798   1.301
  601    HB2  GLN  80           HB2      GLN  80  13.011  -4.627   0.422
  602    HB3  GLN  80           HB1      GLN  80  12.472  -4.210   2.021
  603    HG2  GLN  80           HG2      GLN  80  10.575  -3.017   0.801
  604    HG3  GLN  80           HG1      GLN  80  11.085  -3.989  -0.571
  605   HE21  GLN  80          HE21      GLN  80   9.543  -3.867   2.296
  606   HE22  GLN  80          HE22      GLN  80   8.955  -5.493   2.395
  607    H    ALA  81           HN       ALA  81  13.658  -2.379   3.201
  608    HA   ALA  81           HA       ALA  81  16.490  -2.937   2.874
  609    HB1  ALA  81           HB1      ALA  81  15.151  -1.063   4.838
  610    HB2  ALA  81           HB2      ALA  81  16.167  -0.582   3.479
  611    HB3  ALA  81           HB3      ALA  81  16.865  -1.475   4.828
  612    H28  SXH 101          H28B      SXH 101  -5.574   9.303  -2.702
  613   H28A  SXH 101          H28A      SXH 101  -6.036   9.062  -1.031
  614    H30  SXH 101          H30C      SXH 101  -5.394  12.389  -2.389
  615   H30A  SXH 101          H30A      SXH 101  -4.271  11.343  -3.255
  616   H30B  SXH 101          H30B      SXH 101  -3.676  12.426  -1.988
  617    H31  SXH 101          H31A      SXH 101  -5.361  10.603   0.767
  618   H31A  SXH 101          H31C      SXH 101  -4.367  12.013   0.397
  619   H31B  SXH 101          H31B      SXH 101  -6.048  11.959  -0.130
  620    H32  SXH 101          H32A      SXH 101  -2.553  10.521  -0.842
  621   HO33  SXH 101          H33A      SXH 101  -3.634   8.131  -0.391
  622   HN36  SXH 101          H36A      SXH 101  -2.426  10.452  -3.223
  623    H37  SXH 101          H37A      SXH 101  -1.341   9.216  -4.830
  624   H37A  SXH 101          H37B      SXH 101  -1.925   7.706  -4.129
  625    H38  SXH 101          H38A      SXH 101  -3.634   9.763  -5.588
  626   H38A  SXH 101          H38B      SXH 101  -2.836   8.441  -6.400
  627   HN41  SXH 101          H41A      SXH 101  -3.459   6.860  -3.833
  628    H42  SXH 101          H42A      SXH 101  -5.617   6.234  -2.894
  629   H42A  SXH 101          H42B      SXH 101  -6.127   5.872  -4.571
  630    H43  SXH 101          H43A      SXH 101  -5.283   3.993  -3.032
  631   H43A  SXH 101          H43B      SXH 101  -3.669   4.741  -3.260
  632    H2   SXH 101           H2A      SXH 101  -2.248   3.686  -3.727
  633    H2A  SXH 101           H2B      SXH 101  -1.566   2.666  -4.959
  634    H3   SXH 101           H3A      SXH 101  -1.830   0.713  -3.673
  635    H3A  SXH 101           H3B      SXH 101  -2.640   1.611  -2.376
  636    H4   SXH 101           H4B      SXH 101   0.216   1.925  -3.290
  637    H4A  SXH 101           H4A      SXH 101  -0.573   2.963  -2.101
  638    H5   SXH 101           H5A      SXH 101  -0.190  -0.027  -1.847
  639    H5A  SXH 101           H5B      SXH 101  -0.946   1.038  -0.644
  640    H6   SXH 101           H6C      SXH 101   1.896   1.204  -1.645
  641    H6A  SXH 101           H6A      SXH 101   1.388   0.558  -0.085
  642    H6B  SXH 101           H6B      SXH 101   1.160   2.270  -0.448
  Start of MODEL   11
    1    H1   ALA   1           HT1      ALA   1  15.059  -7.589   5.305
    2    H2   ALA   1           HT2      ALA   1  14.318  -9.108   5.056
    3    H3   ALA   1           HT3      ALA   1  13.650  -8.019   6.161
    4    HA   ALA   1           HA       ALA   1  13.125  -6.508   4.421
    5    HB1  ALA   1           HB1      ALA   1  14.208  -8.652   2.591
    6    HB2  ALA   1           HB2      ALA   1  14.966  -7.094   2.916
    7    HB3  ALA   1           HB3      ALA   1  13.411  -7.160   2.089
    8    H    ALA   2           HN       ALA   2  11.318  -6.937   2.858
    9    HA   ALA   2           HA       ALA   2   9.532  -8.918   3.995
   10    HB1  ALA   2           HB1      ALA   2   8.775  -6.604   3.983
   11    HB2  ALA   2           HB2      ALA   2   7.755  -7.601   2.948
   12    HB3  ALA   2           HB3      ALA   2   8.966  -6.538   2.231
   13    H    THR   3           HN       THR   3   7.761  -9.464   2.054
   14    HA   THR   3           HA       THR   3   9.161 -10.262  -0.334
   15    HB   THR   3           HB       THR   3   7.939 -12.502  -0.139
   16    HG1  THR   3           HG1      THR   3   7.928 -11.983   2.633
   17   HG21  THR   3          HG21      THR   3   9.620 -13.520   1.348
   18   HG22  THR   3          HG22      THR   3  10.021 -11.904   1.945
   19   HG23  THR   3          HG23      THR   3  10.364 -12.329   0.265
   20    H    GLN   4           HN       GLN   4   7.029 -11.549  -1.546
   21    HA   GLN   4           HA       GLN   4   5.427  -9.380  -2.298
   22    HB2  GLN   4           HB2      GLN   4   5.919 -11.313  -3.778
   23    HB3  GLN   4           HB1      GLN   4   4.938 -12.343  -2.761
   24    HG2  GLN   4           HG2      GLN   4   3.700  -9.965  -4.164
   25    HG3  GLN   4           HG1      GLN   4   3.995 -11.472  -5.019
   26   HE21  GLN   4          HE21      GLN   4   2.114  -9.863  -2.611
   27   HE22  GLN   4          HE22      GLN   4   0.912 -11.066  -2.398
   28    H    GLU   5           HN       GLU   5   4.508 -12.262  -0.379
   29    HA   GLU   5           HA       GLU   5   1.928 -11.216   0.160
   30    HB2  GLU   5           HB2      GLU   5   3.446 -13.417   1.566
   31    HB3  GLU   5           HB1      GLU   5   1.764 -13.018   1.882
   32    HG2  GLU   5           HG2      GLU   5   1.221 -13.554  -0.457
   33    HG3  GLU   5           HG1      GLU   5   2.906 -14.002  -0.725
   34    H    GLU   6           HN       GLU   6   4.986 -10.815   1.710
   35    HA   GLU   6           HA       GLU   6   3.931  -9.926   4.187
   36    HB2  GLU   6           HB2      GLU   6   6.655  -9.661   3.000
   37    HB3  GLU   6           HB1      GLU   6   6.241  -8.954   4.554
   38    HG2  GLU   6           HG2      GLU   6   5.648 -11.160   5.394
   39    HG3  GLU   6           HG1      GLU   6   6.070 -11.863   3.830
   40    H    ILE   7           HN       ILE   7   5.302  -8.033   1.400
   41    HA   ILE   7           HA       ILE   7   4.759  -5.525   2.413
   42    HB   ILE   7           HB       ILE   7   4.485  -6.538  -0.422
   43   HG12  ILE   7          HG12      ILE   7   6.805  -5.191   0.949
   44   HG13  ILE   7          HG11      ILE   7   6.662  -6.931   0.712
   45   HG21  ILE   7          HG21      ILE   7   4.838  -3.722   0.632
   46   HG22  ILE   7          HG22      ILE   7   3.379  -4.370  -0.118
   47   HG23  ILE   7          HG23      ILE   7   4.856  -4.191  -1.069
   48   HD11  ILE   7          HD11      ILE   7   8.076  -5.924  -0.952
   49   HD12  ILE   7          HD12      ILE   7   6.763  -4.852  -1.435
   50   HD13  ILE   7          HD13      ILE   7   6.618  -6.590  -1.683
   51    H    VAL   8           HN       VAL   8   2.761  -7.669   0.546
   52    HA   VAL   8           HA       VAL   8   0.472  -6.085   0.283
   53    HB   VAL   8           HB       VAL   8   0.684  -9.109   0.408
   54   HG11  VAL   8          HG11      VAL   8  -1.606  -8.403   0.955
   55   HG12  VAL   8          HG12      VAL   8  -1.531  -9.153  -0.639
   56   HG13  VAL   8          HG13      VAL   8  -1.636  -7.397  -0.491
   57   HG21  VAL   8          HG21      VAL   8   1.876  -8.088  -1.416
   58   HG22  VAL   8          HG22      VAL   8   0.451  -7.156  -1.863
   59   HG23  VAL   8          HG23      VAL   8   0.444  -8.916  -2.022
   60    H    ALA   9           HN       ALA   9   1.035  -8.605   2.757
   61    HA   ALA   9           HA       ALA   9  -1.341  -8.141   4.193
   62    HB1  ALA   9           HB1      ALA   9   1.260  -9.260   5.211
   63    HB2  ALA   9           HB2      ALA   9   0.016 -10.177   4.362
   64    HB3  ALA   9           HB3      ALA   9  -0.332  -9.471   5.943
   65    H    GLY  10           HN       GLY  10   1.775  -6.541   4.355
   66    HA2  GLY  10           HA2      GLY  10   1.395  -5.315   6.875
   67    HA3  GLY  10           HA1      GLY  10   2.580  -4.870   5.651
   68    H    LEU  11           HN       LEU  11   0.951  -4.339   3.525
   69    HA   LEU  11           HA       LEU  11  -0.065  -1.718   4.084
   70    HB2  LEU  11           HB2      LEU  11  -0.696  -3.542   1.756
   71    HB3  LEU  11           HB1      LEU  11  -0.927  -1.811   1.810
   72    HG   LEU  11           HG       LEU  11   1.747  -3.202   1.850
   73   HD11  LEU  11          HD11      LEU  11   0.612  -3.493  -0.277
   74   HD12  LEU  11          HD12      LEU  11   1.970  -2.379  -0.438
   75   HD13  LEU  11          HD13      LEU  11   0.320  -1.757  -0.377
   76   HD21  LEU  11          HD21      LEU  11   1.022  -0.292   1.573
   77   HD22  LEU  11          HD22      LEU  11   2.649  -0.968   1.465
   78   HD23  LEU  11          HD23      LEU  11   1.761  -1.041   2.988
   79    H    ALA  12           HN       ALA  12  -1.506  -4.852   3.486
   80    HA   ALA  12           HA       ALA  12  -4.166  -4.163   3.486
   81    HB1  ALA  12           HB1      ALA  12  -3.320  -6.314   2.777
   82    HB2  ALA  12           HB2      ALA  12  -4.667  -6.422   3.915
   83    HB3  ALA  12           HB3      ALA  12  -3.015  -6.739   4.472
   84    H    GLU  13           HN       GLU  13  -2.216  -5.244   6.300
   85    HA   GLU  13           HA       GLU  13  -4.384  -5.163   8.053
   86    HB2  GLU  13           HB2      GLU  13  -2.731  -5.104   9.902
   87    HB3  GLU  13           HB1      GLU  13  -2.378  -6.342   8.708
   88    HG2  GLU  13           HG2      GLU  13  -0.654  -4.988   7.753
   89    HG3  GLU  13           HG1      GLU  13  -1.024  -3.660   8.842
   90    H    ILE  14           HN       ILE  14  -2.322  -2.653   6.950
   91    HA   ILE  14           HA       ILE  14  -3.331  -0.734   8.835
   92    HB   ILE  14           HB       ILE  14  -1.879  -0.214   6.207
   93   HG12  ILE  14          HG12      ILE  14  -0.722  -0.438   8.985
   94   HG13  ILE  14          HG11      ILE  14  -0.765  -1.789   7.856
   95   HG21  ILE  14          HG21      ILE  14  -1.262   1.888   7.347
   96   HG22  ILE  14          HG22      ILE  14  -2.179   1.394   8.769
   97   HG23  ILE  14          HG23      ILE  14  -3.017   1.745   7.257
   98   HD11  ILE  14          HD11      ILE  14   0.634   0.833   7.435
   99   HD12  ILE  14          HD12      ILE  14   0.571  -0.534   6.307
  100   HD13  ILE  14          HD13      ILE  14   1.376  -0.717   7.868
  101    H    VAL  15           HN       VAL  15  -3.981  -1.385   5.369
  102    HA   VAL  15           HA       VAL  15  -6.062   0.334   4.835
  103    HB   VAL  15           HB       VAL  15  -5.833  -2.573   3.982
  104   HG11  VAL  15          HG11      VAL  15  -7.327  -0.287   2.684
  105   HG12  VAL  15          HG12      VAL  15  -8.063  -1.656   3.517
  106   HG13  VAL  15          HG13      VAL  15  -7.170  -1.912   2.029
  107   HG21  VAL  15          HG21      VAL  15  -3.848  -1.328   3.469
  108   HG22  VAL  15          HG22      VAL  15  -4.807  -0.062   2.690
  109   HG23  VAL  15          HG23      VAL  15  -4.762  -1.708   2.016
  110    H    ASN  16           HN       ASN  16  -6.147  -2.824   6.388
  111    HA   ASN  16           HA       ASN  16  -8.865  -3.098   6.937
  112    HB2  ASN  16           HB2      ASN  16  -6.394  -4.099   8.281
  113    HB3  ASN  16           HB1      ASN  16  -7.925  -4.276   9.121
  114   HD21  ASN  16          HD21      ASN  16  -6.150  -5.125   6.168
  115   HD22  ASN  16          HD22      ASN  16  -7.067  -6.527   5.848
  116    H    GLU  17           HN       GLU  17  -6.404  -1.327   8.770
  117    HA   GLU  17           HA       GLU  17  -8.037  -0.715  10.976
  118    HB2  GLU  17           HB2      GLU  17  -5.627   0.779   9.955
  119    HB3  GLU  17           HB1      GLU  17  -6.377   1.006  11.522
  120    HG2  GLU  17           HG2      GLU  17  -5.812  -1.350  12.058
  121    HG3  GLU  17           HG1      GLU  17  -4.934  -1.435  10.530
  122    H    ILE  18           HN       ILE  18  -7.554   0.952   7.904
  123    HA   ILE  18           HA       ILE  18  -9.256   3.159   8.978
  124    HB   ILE  18           HB       ILE  18  -7.680   3.350   6.430
  125   HG12  ILE  18          HG12      ILE  18  -6.644   4.215   9.139
  126   HG13  ILE  18          HG11      ILE  18  -6.113   2.737   8.325
  127   HG21  ILE  18          HG21      ILE  18  -9.382   5.029   6.859
  128   HG22  ILE  18          HG22      ILE  18  -7.753   5.715   6.967
  129   HG23  ILE  18          HG23      ILE  18  -8.658   5.367   8.443
  130   HD11  ILE  18          HD11      ILE  18  -5.301   4.096   6.487
  131   HD12  ILE  18          HD12      ILE  18  -4.575   4.610   8.014
  132   HD13  ILE  18          HD13      ILE  18  -5.890   5.538   7.284
  133    H    ALA  19           HN       ALA  19  -8.626   1.505   5.841
  134    HA   ALA  19           HA       ALA  19 -11.090   2.403   4.704
  135    HB1  ALA  19           HB1      ALA  19 -10.450   1.077   2.772
  136    HB2  ALA  19           HB2      ALA  19  -9.163   0.313   3.705
  137    HB3  ALA  19           HB3      ALA  19  -9.088   2.038   3.346
  138    H    GLY  20           HN       GLY  20  -9.894  -0.697   5.871
  139    HA2  GLY  20           HA2      GLY  20 -11.287  -2.245   7.009
  140    HA3  GLY  20           HA1      GLY  20 -12.679  -1.542   6.197
  141    H    ILE  21           HN       ILE  21  -9.882  -2.269   4.254
  142    HA   ILE  21           HA       ILE  21 -11.380  -4.355   2.934
  143    HB   ILE  21           HB       ILE  21  -8.583  -3.337   2.345
  144   HG12  ILE  21          HG12      ILE  21 -10.228  -1.618   2.035
  145   HG13  ILE  21          HG11      ILE  21  -9.679  -2.199   0.463
  146   HG21  ILE  21          HG21      ILE  21  -8.882  -4.472   0.177
  147   HG22  ILE  21          HG22      ILE  21 -10.439  -5.097   0.726
  148   HG23  ILE  21          HG23      ILE  21  -8.954  -5.614   1.520
  149   HD11  ILE  21          HD11      ILE  21 -11.975  -1.953   0.326
  150   HD12  ILE  21          HD12      ILE  21 -12.243  -2.812   1.860
  151   HD13  ILE  21          HD13      ILE  21 -11.677  -3.696   0.433
  152    HA   PRO  22           HA       PRO  22  -9.350  -7.201   5.812
  153    HB2  PRO  22           HB2      PRO  22 -10.336  -9.285   3.969
  154    HB3  PRO  22           HB1      PRO  22 -10.635  -9.075   5.698
  155    HG2  PRO  22           HG2      PRO  22 -12.511  -8.593   3.872
  156    HG3  PRO  22           HG1      PRO  22 -12.391  -7.628   5.357
  157    HD2  PRO  22           HD2      PRO  22 -11.548  -6.940   2.568
  158    HD3  PRO  22           HD1      PRO  22 -12.262  -5.900   3.820
  159    H    VAL  23           HN       VAL  23  -7.685  -8.725   5.824
  160    HA   VAL  23           HA       VAL  23  -5.637  -8.166   3.933
  161    HB   VAL  23           HB       VAL  23  -4.245  -9.799   5.164
  162   HG11  VAL  23          HG11      VAL  23  -5.810  -7.960   6.965
  163   HG12  VAL  23          HG12      VAL  23  -4.394  -7.525   6.009
  164   HG13  VAL  23          HG13      VAL  23  -4.241  -8.673   7.339
  165   HG21  VAL  23          HG21      VAL  23  -5.168 -10.938   7.157
  166   HG22  VAL  23          HG22      VAL  23  -5.932 -11.470   5.654
  167   HG23  VAL  23          HG23      VAL  23  -6.774 -10.346   6.714
  168    H    GLU  24           HN       GLU  24  -8.163 -10.253   3.735
  169    HA   GLU  24           HA       GLU  24  -6.702 -12.120   2.033
  170    HB2  GLU  24           HB2      GLU  24  -9.535 -12.297   3.048
  171    HB3  GLU  24           HB1      GLU  24  -8.709 -13.520   2.091
  172    HG2  GLU  24           HG2      GLU  24  -7.035 -13.705   3.932
  173    HG3  GLU  24           HG1      GLU  24  -8.064 -12.640   4.887
  174    H    ASP  25           HN       ASP  25  -8.425  -9.278   1.783
  175    HA   ASP  25           HA       ASP  25  -9.305 -10.074  -0.871
  176    HB2  ASP  25           HB2      ASP  25 -11.008  -9.005   0.678
  177    HB3  ASP  25           HB1      ASP  25 -10.096  -7.504   0.497
  178    H    VAL  26           HN       VAL  26  -7.302  -7.748   0.875
  179    HA   VAL  26           HA       VAL  26  -6.264  -6.379  -1.308
  180    HB   VAL  26           HB       VAL  26  -4.901  -7.196   1.285
  181   HG11  VAL  26          HG11      VAL  26  -3.432  -5.269   0.921
  182   HG12  VAL  26          HG12      VAL  26  -4.169  -5.004  -0.661
  183   HG13  VAL  26          HG13      VAL  26  -3.258  -6.479  -0.350
  184   HG21  VAL  26          HG21      VAL  26  -6.938  -5.944   1.703
  185   HG22  VAL  26          HG22      VAL  26  -6.405  -4.674   0.601
  186   HG23  VAL  26          HG23      VAL  26  -5.522  -4.973   2.100
  187    H    LYS  27           HN       LYS  27  -5.932  -7.799  -2.962
  188    HA   LYS  27           HA       LYS  27  -3.610  -9.578  -2.731
  189    HB2  LYS  27           HB2      LYS  27  -5.966  -9.705  -4.652
  190    HB3  LYS  27           HB1      LYS  27  -4.550 -10.744  -4.763
  191    HG2  LYS  27           HG2      LYS  27  -6.523 -10.663  -2.480
  192    HG3  LYS  27           HG1      LYS  27  -6.424 -11.907  -3.729
  193    HD2  LYS  27           HD2      LYS  27  -4.224 -12.551  -2.977
  194    HD3  LYS  27           HD1      LYS  27  -4.187 -11.227  -1.818
  195    HE2  LYS  27           HE2      LYS  27  -6.093 -12.241  -0.639
  196    HE3  LYS  27           HE1      LYS  27  -6.038 -13.600  -1.768
  197    HZ1  LYS  27           HZ1      LYS  27  -3.791 -12.739  -0.060
  198    HZ2  LYS  27           HZ2      LYS  27  -3.811 -14.120  -1.006
  199    HZ3  LYS  27           HZ3      LYS  27  -4.825 -13.980   0.370
  200    H    LEU  28           HN       LEU  28  -2.388  -9.580  -4.934
  201    HA   LEU  28           HA       LEU  28  -1.512  -6.891  -4.977
  202    HB2  LEU  28           HB2      LEU  28   0.394  -7.614  -6.100
  203    HB3  LEU  28           HB1      LEU  28  -0.183  -9.004  -5.201
  204    HG   LEU  28           HG       LEU  28  -1.212  -9.811  -7.367
  205   HD11  LEU  28          HD11      LEU  28   0.754  -7.814  -8.507
  206   HD12  LEU  28          HD12      LEU  28  -0.992  -7.754  -8.678
  207   HD13  LEU  28          HD13      LEU  28  -0.078  -9.063  -9.438
  208   HD21  LEU  28          HD21      LEU  28   1.779  -9.668  -7.061
  209   HD22  LEU  28          HD22      LEU  28   0.909 -10.830  -8.066
  210   HD23  LEU  28          HD23      LEU  28   0.702 -10.847  -6.315
  211    H    ASP  29           HN       ASP  29  -3.740  -8.490  -7.034
  212    HA   ASP  29           HA       ASP  29  -3.204  -6.637  -9.231
  213    HB2  ASP  29           HB2      ASP  29  -3.296  -9.034  -9.643
  214    HB3  ASP  29           HB1      ASP  29  -4.929  -9.096  -9.022
  215    H    LYS  30           HN       LYS  30  -4.611  -6.247  -6.567
  216    HA   LYS  30           HA       LYS  30  -7.249  -5.478  -7.486
  217    HB2  LYS  30           HB2      LYS  30  -6.188  -5.696  -4.669
  218    HB3  LYS  30           HB1      LYS  30  -7.853  -5.517  -5.181
  219    HG2  LYS  30           HG2      LYS  30  -6.217  -7.868  -6.021
  220    HG3  LYS  30           HG1      LYS  30  -7.090  -7.827  -4.483
  221    HD2  LYS  30           HD2      LYS  30  -8.473  -7.180  -7.035
  222    HD3  LYS  30           HD1      LYS  30  -8.179  -8.867  -6.605
  223    HE2  LYS  30           HE2      LYS  30  -9.251  -8.507  -4.482
  224    HE3  LYS  30           HE1      LYS  30  -9.546  -6.812  -4.857
  225    HZ1  LYS  30           HZ1      LYS  30 -10.928  -7.492  -6.682
  226    HZ2  LYS  30           HZ2      LYS  30 -11.537  -8.066  -5.220
  227    HZ3  LYS  30           HZ3      LYS  30 -10.747  -9.140  -6.299
  228    H    SER  31           HN       SER  31  -7.068  -3.526  -8.209
  229    HA   SER  31           HA       SER  31  -5.410  -1.451  -7.242
  230    HB2  SER  31           HB2      SER  31  -8.126  -1.094  -8.545
  231    HB3  SER  31           HB1      SER  31  -6.755   0.015  -8.590
  232    HG   SER  31           HG       SER  31  -7.360  -2.126 -10.131
  233    H    PHE  32           HN       PHE  32  -5.558  -1.044  -5.111
  234    HA   PHE  32           HA       PHE  32  -7.459  -1.405  -3.264
  235    HB2  PHE  32           HB2      PHE  32  -5.552   0.856  -3.546
  236    HB3  PHE  32           HB1      PHE  32  -6.672   0.844  -2.188
  237    HD1  PHE  32           HD1      PHE  32  -6.555  -1.138  -0.604
  238    HD2  PHE  32           HD2      PHE  32  -3.512  -0.341  -3.487
  239    HE1  PHE  32           HE1      PHE  32  -4.974  -2.507   0.690
  240    HE2  PHE  32           HE2      PHE  32  -1.951  -1.685  -2.217
  241    HZ   PHE  32           HZ       PHE  32  -2.649  -2.777  -0.121
  242    H    THR  33           HN       THR  33  -7.331   1.762  -5.041
  243    HA   THR  33           HA       THR  33  -9.862   2.647  -4.111
  244    HB   THR  33           HB       THR  33  -8.393   3.869  -6.381
  245    HG1  THR  33           HG1      THR  33  -6.577   3.974  -5.319
  246   HG21  THR  33          HG21      THR  33  -9.346   4.866  -3.712
  247   HG22  THR  33          HG22      THR  33 -10.243   5.026  -5.233
  248   HG23  THR  33          HG23      THR  33  -8.698   5.868  -5.008
  249    H    ASP  34           HN       ASP  34 -10.542   0.355  -5.335
  250    HA   ASP  34           HA       ASP  34 -12.329   0.944  -7.412
  251    HB2  ASP  34           HB2      ASP  34 -10.392   1.274  -8.885
  252    HB3  ASP  34           HB1      ASP  34  -9.737  -0.288  -8.422
  253    H    ASP  35           HN       ASP  35 -10.020  -1.599  -6.893
  254    HA   ASP  35           HA       ASP  35 -11.889  -3.751  -7.309
  255    HB2  ASP  35           HB2      ASP  35  -9.214  -3.312  -7.487
  256    HB3  ASP  35           HB1      ASP  35  -9.272  -4.402  -6.153
  257    H    LEU  36           HN       LEU  36 -10.314  -2.212  -4.690
  258    HA   LEU  36           HA       LEU  36 -11.431  -4.173  -2.849
  259    HB2  LEU  36           HB2      LEU  36  -9.412  -1.987  -2.356
  260    HB3  LEU  36           HB1      LEU  36  -9.917  -3.211  -1.201
  261    HG   LEU  36           HG       LEU  36  -8.421  -3.712  -3.770
  262   HD11  LEU  36          HD11      LEU  36  -6.628  -4.441  -2.315
  263   HD12  LEU  36          HD12      LEU  36  -7.586  -3.998  -0.902
  264   HD13  LEU  36          HD13      LEU  36  -7.040  -2.753  -2.026
  265   HD21  LEU  36          HD21      LEU  36  -8.325  -6.014  -3.030
  266   HD22  LEU  36          HD22      LEU  36  -9.988  -5.453  -3.287
  267   HD23  LEU  36          HD23      LEU  36  -9.350  -5.594  -1.648
  268    H    ASP  37           HN       ASP  37 -10.748  -0.982  -2.049
  269    HA   ASP  37           HA       ASP  37 -12.826   0.621  -2.197
  270    HB2  ASP  37           HB2      ASP  37 -14.449  -1.149  -1.226
  271    HB3  ASP  37           HB1      ASP  37 -13.566  -1.042   0.258
  272    H    VAL  38           HN       VAL  38 -10.645   1.428  -1.909
  273    HA   VAL  38           HA       VAL  38 -10.367   2.208   0.886
  274    HB   VAL  38           HB       VAL  38  -8.424   1.174  -0.471
  275   HG11  VAL  38          HG11      VAL  38  -6.961   2.744  -1.663
  276   HG12  VAL  38          HG12      VAL  38  -8.234   3.962  -1.558
  277   HG13  VAL  38          HG13      VAL  38  -8.507   2.473  -2.462
  278   HG21  VAL  38          HG21      VAL  38  -8.078   2.052   1.718
  279   HG22  VAL  38          HG22      VAL  38  -7.979   3.698   1.090
  280   HG23  VAL  38          HG23      VAL  38  -6.724   2.523   0.691
  281    H    ASP  39           HN       ASP  39 -10.744   4.360   1.389
  282    HA   ASP  39           HA       ASP  39 -11.968   5.902  -0.752
  283    HB2  ASP  39           HB2      ASP  39 -13.042   5.610   1.519
  284    HB3  ASP  39           HB1      ASP  39 -11.745   6.584   2.194
  285    H    SER  40           HN       SER  40  -9.175   5.378  -0.551
  286    HA   SER  40           HA       SER  40  -7.177   6.152  -0.968
  287    HB2  SER  40           HB2      SER  40  -6.934   8.078  -2.347
  288    HB3  SER  40           HB1      SER  40  -8.451   7.285  -2.779
  289    H    LEU  41           HN       LEU  41  -8.920   8.217   1.186
  290    HA   LEU  41           HA       LEU  41  -6.712   9.821   2.007
  291    HB2  LEU  41           HB2      LEU  41  -9.312   9.259   3.430
  292    HB3  LEU  41           HB1      LEU  41  -8.186  10.538   3.826
  293    HG   LEU  41           HG       LEU  41  -9.775  10.324   1.268
  294   HD11  LEU  41          HD11      LEU  41 -10.064  12.167   3.635
  295   HD12  LEU  41          HD12      LEU  41 -11.174  10.874   3.187
  296   HD13  LEU  41          HD13      LEU  41 -10.983  12.277   2.137
  297   HD21  LEU  41          HD21      LEU  41  -8.942  12.587   0.811
  298   HD22  LEU  41          HD22      LEU  41  -7.623  11.419   0.905
  299   HD23  LEU  41          HD23      LEU  41  -7.937  12.505   2.258
  300    H    SER  42           HN       SER  42  -7.895   6.651   2.805
  301    HA   SER  42           HA       SER  42  -6.723   6.384   5.305
  302    HB2  SER  42           HB2      SER  42  -7.010   3.894   4.209
  303    HB3  SER  42           HB1      SER  42  -8.290   4.800   5.020
  304    HG   SER  42           HG       SER  42  -9.290   4.657   3.188
  305    H    MET  43           HN       MET  43  -5.752   6.223   1.991
  306    HA   MET  43           HA       MET  43  -3.639   4.390   2.272
  307    HB2  MET  43           HB2      MET  43  -4.833   5.055   0.150
  308    HB3  MET  43           HB1      MET  43  -3.825   6.497   0.146
  309    HG2  MET  43           HG2      MET  43  -2.855   4.828  -1.259
  310    HG3  MET  43           HG1      MET  43  -1.838   5.067   0.179
  311    HE1  MET  43           HE1      MET  43  -4.698   1.533  -0.465
  312    HE2  MET  43           HE2      MET  43  -4.407   2.839  -1.628
  313    HE3  MET  43           HE3      MET  43  -5.229   3.182  -0.116
  314    H    VAL  44           HN       VAL  44  -3.866   7.842   2.726
  315    HA   VAL  44           HA       VAL  44  -1.180   8.467   2.660
  316    HB   VAL  44           HB       VAL  44  -3.287   9.623   4.534
  317   HG11  VAL  44          HG11      VAL  44  -0.632  10.784   3.690
  318   HG12  VAL  44          HG12      VAL  44  -1.045  10.177   5.291
  319   HG13  VAL  44          HG13      VAL  44  -1.854  11.609   4.655
  320   HG21  VAL  44          HG21      VAL  44  -2.362  10.577   1.826
  321   HG22  VAL  44          HG22      VAL  44  -3.518  11.411   2.855
  322   HG23  VAL  44          HG23      VAL  44  -3.901   9.832   2.176
  323    H    GLU  45           HN       GLU  45  -3.248   7.599   5.426
  324    HA   GLU  45           HA       GLU  45  -1.103   7.402   7.249
  325    HB2  GLU  45           HB2      GLU  45  -3.971   6.488   7.433
  326    HB3  GLU  45           HB1      GLU  45  -2.844   6.558   8.786
  327    HG2  GLU  45           HG2      GLU  45  -2.652   8.977   8.505
  328    HG3  GLU  45           HG1      GLU  45  -3.757   8.907   7.141
  329    H    VAL  46           HN       VAL  46  -2.608   5.249   5.004
  330    HA   VAL  46           HA       VAL  46  -1.745   2.867   6.176
  331    HB   VAL  46           HB       VAL  46  -2.487   3.468   3.281
  332   HG11  VAL  46          HG11      VAL  46  -0.822   1.643   3.255
  333   HG12  VAL  46          HG12      VAL  46  -2.437   1.050   2.848
  334   HG13  VAL  46          HG13      VAL  46  -1.780   0.770   4.457
  335   HG21  VAL  46          HG21      VAL  46  -3.794   1.854   5.462
  336   HG22  VAL  46          HG22      VAL  46  -4.390   1.974   3.812
  337   HG23  VAL  46          HG23      VAL  46  -4.342   3.414   4.843
  338    H    VAL  47           HN       VAL  47  -0.270   4.896   3.563
  339    HA   VAL  47           HA       VAL  47   1.912   3.030   3.423
  340    HB   VAL  47           HB       VAL  47   1.740   5.654   1.973
  341   HG11  VAL  47          HG11      VAL  47   3.094   3.033   1.326
  342   HG12  VAL  47          HG12      VAL  47   3.886   4.493   1.910
  343   HG13  VAL  47          HG13      VAL  47   3.125   4.481   0.318
  344   HG21  VAL  47          HG21      VAL  47   0.680   4.456   0.122
  345   HG22  VAL  47          HG22      VAL  47  -0.334   4.476   1.565
  346   HG23  VAL  47          HG23      VAL  47   0.559   3.016   1.132
  347    H    VAL  48           HN       VAL  48   1.288   6.094   4.919
  348    HA   VAL  48           HA       VAL  48   4.001   6.702   5.442
  349    HB   VAL  48           HB       VAL  48   1.916   8.169   5.854
  350   HG11  VAL  48          HG11      VAL  48   2.056   6.730   8.411
  351   HG12  VAL  48          HG12      VAL  48   0.743   6.677   7.237
  352   HG13  VAL  48          HG13      VAL  48   1.066   8.186   8.151
  353   HG21  VAL  48          HG21      VAL  48   4.124   8.121   7.895
  354   HG22  VAL  48          HG22      VAL  48   3.048   9.487   7.587
  355   HG23  VAL  48          HG23      VAL  48   4.164   8.940   6.333
  356    H    ALA  49           HN       ALA  49   1.779   4.573   6.814
  357    HA   ALA  49           HA       ALA  49   3.397   3.808   9.096
  358    HB1  ALA  49           HB1      ALA  49   0.997   2.465   7.854
  359    HB2  ALA  49           HB2      ALA  49   0.963   3.636   9.159
  360    HB3  ALA  49           HB3      ALA  49   1.708   2.052   9.418
  361    H    ALA  50           HN       ALA  50   2.625   2.556   5.933
  362    HA   ALA  50           HA       ALA  50   4.105   0.181   6.000
  363    HB1  ALA  50           HB1      ALA  50   3.550   1.951   3.624
  364    HB2  ALA  50           HB2      ALA  50   2.468   0.707   4.255
  365    HB3  ALA  50           HB3      ALA  50   4.029   0.256   3.570
  366    H    GLU  51           HN       GLU  51   5.112   3.480   5.445
  367    HA   GLU  51           HA       GLU  51   7.649   2.889   4.444
  368    HB2  GLU  51           HB2      GLU  51   6.845   5.309   6.036
  369    HB3  GLU  51           HB1      GLU  51   8.279   5.164   5.053
  370    HG2  GLU  51           HG2      GLU  51   6.944   5.085   3.043
  371    HG3  GLU  51           HG1      GLU  51   5.464   5.117   3.984
  372    H    GLU  52           HN       GLU  52   6.294   3.159   7.614
  373    HA   GLU  52           HA       GLU  52   8.718   3.383   9.087
  374    HB2  GLU  52           HB2      GLU  52   6.010   2.331   9.908
  375    HB3  GLU  52           HB1      GLU  52   7.322   2.677  11.013
  376    HG2  GLU  52           HG2      GLU  52   7.194   5.035  10.433
  377    HG3  GLU  52           HG1      GLU  52   5.897   4.682   9.286
  378    H    ARG  53           HN       ARG  53   6.709   0.775   7.984
  379    HA   ARG  53           HA       ARG  53   8.248  -1.148   9.459
  380    HB2  ARG  53           HB2      ARG  53   6.656  -2.788   8.652
  381    HB3  ARG  53           HB1      ARG  53   5.881  -1.374   9.403
  382    HG2  ARG  53           HG2      ARG  53   5.169  -0.576   7.306
  383    HG3  ARG  53           HG1      ARG  53   6.106  -1.808   6.455
  384    HD2  ARG  53           HD2      ARG  53   3.743  -2.389   6.574
  385    HD3  ARG  53           HD1      ARG  53   4.765  -3.546   7.427
  386    HE   ARG  53           HE       ARG  53   3.652  -1.422   9.037
  387   HH11  ARG  53          HH11      ARG  53   3.507  -4.863   8.186
  388   HH12  ARG  53          HH12      ARG  53   2.174  -5.204   9.200
  389   HH21  ARG  53          HH21      ARG  53   1.832  -1.901  10.482
  390   HH22  ARG  53          HH22      ARG  53   1.222  -3.494  10.540
  391    H    PHE  54           HN       PHE  54   7.717  -0.333   6.069
  392    HA   PHE  54           HA       PHE  54   9.438  -2.515   5.288
  393    HB2  PHE  54           HB2      PHE  54   7.973  -0.483   3.608
  394    HB3  PHE  54           HB1      PHE  54   8.904  -1.835   2.991
  395    HD1  PHE  54           HD1      PHE  54   8.190  -4.119   4.433
  396    HD2  PHE  54           HD2      PHE  54   5.723  -0.819   3.390
  397    HE1  PHE  54           HE1      PHE  54   6.211  -5.568   4.547
  398    HE2  PHE  54           HE2      PHE  54   3.741  -2.263   3.503
  399    HZ   PHE  54           HZ       PHE  54   3.977  -4.621   4.162
  400    H    ASP  55           HN       ASP  55   9.737   0.836   5.913
  401    HA   ASP  55           HA       ASP  55  11.438   2.284   5.868
  402    HB2  ASP  55           HB2      ASP  55  12.579   0.451   7.100
  403    HB3  ASP  55           HB1      ASP  55  13.173  -0.198   5.585
  404    H    VAL  56           HN       VAL  56  10.277   1.097   3.373
  405    HA   VAL  56           HA       VAL  56  12.332   1.640   1.390
  406    HB   VAL  56           HB       VAL  56  10.846  -0.243   0.934
  407   HG11  VAL  56          HG11      VAL  56   8.445   0.135   0.427
  408   HG12  VAL  56          HG12      VAL  56   8.628   1.767   1.071
  409   HG13  VAL  56          HG13      VAL  56   8.885   0.373   2.119
  410   HG21  VAL  56          HG21      VAL  56  10.286   2.040  -0.949
  411   HG22  VAL  56          HG22      VAL  56  10.073   0.327  -1.318
  412   HG23  VAL  56          HG23      VAL  56  11.681   0.966  -0.987
  413    H    LYS  57           HN       LYS  57   9.484   2.981   2.695
  414    HA   LYS  57           HA       LYS  57   8.590   4.997   2.774
  415    HB2  LYS  57           HB2      LYS  57  10.623   5.774   3.634
  416    HB3  LYS  57           HB1      LYS  57  11.402   5.745   2.071
  417    HG2  LYS  57           HG2      LYS  57  10.468   7.745   1.419
  418    HG3  LYS  57           HG1      LYS  57   9.126   7.606   2.554
  419    HD2  LYS  57           HD2      LYS  57  11.979   7.938   3.446
  420    HD3  LYS  57           HD1      LYS  57  10.927   9.315   3.112
  421    HE2  LYS  57           HE2      LYS  57  10.254   7.116   5.085
  422    HE3  LYS  57           HE1      LYS  57  11.015   8.645   5.540
  423    HZ1  LYS  57           HZ1      LYS  57   9.003   9.769   4.634
  424    HZ2  LYS  57           HZ2      LYS  57   8.665   8.771   5.911
  425    HZ3  LYS  57           HZ3      LYS  57   8.311   8.269   4.327
  426    H    ILE  58           HN       ILE  58   6.914   5.033   1.448
  427    HA   ILE  58           HA       ILE  58   7.315   6.231  -1.209
  428    HB   ILE  58           HB       ILE  58   4.772   4.631  -0.631
  429   HG12  ILE  58          HG12      ILE  58   5.885   2.762  -2.035
  430   HG13  ILE  58          HG11      ILE  58   7.401   3.490  -1.490
  431   HG21  ILE  58          HG21      ILE  58   6.097   5.349  -3.216
  432   HG22  ILE  58          HG22      ILE  58   4.661   6.085  -2.504
  433   HG23  ILE  58          HG23      ILE  58   4.608   4.434  -3.027
  434   HD11  ILE  58          HD11      ILE  58   6.781   3.154   0.801
  435   HD12  ILE  58          HD12      ILE  58   6.744   1.620  -0.089
  436   HD13  ILE  58          HD13      ILE  58   5.240   2.461   0.303
  437    HA   PRO  59           HA       PRO  59   4.785   9.195   1.040
  438    HB2  PRO  59           HB2      PRO  59   4.925  11.094  -0.893
  439    HB3  PRO  59           HB1      PRO  59   6.242  10.847   0.263
  440    HG2  PRO  59           HG2      PRO  59   5.971   9.821  -2.543
  441    HG3  PRO  59           HG1      PRO  59   7.382  10.576  -1.770
  442    HD2  PRO  59           HD2      PRO  59   7.163   7.899  -2.053
  443    HD3  PRO  59           HD1      PRO  59   7.912   8.637  -0.618
  444    H    ASP  60           HN       ASP  60   2.580   9.669   0.697
  445    HA   ASP  60           HA       ASP  60   1.021   8.177  -1.012
  446    HB2  ASP  60           HB2      ASP  60  -0.849   9.664  -0.572
  447    HB3  ASP  60           HB1      ASP  60   0.090   9.502   0.892
  448    H    ASP  61           HN       ASP  61   2.703  11.096  -1.778
  449    HA   ASP  61           HA       ASP  61   1.527  11.761  -4.260
  450    HB2  ASP  61           HB2      ASP  61   3.067  13.284  -3.151
  451    HB3  ASP  61           HB1      ASP  61   4.377  12.116  -3.307
  452    H    ASP  62           HN       ASP  62   3.989   9.454  -3.450
  453    HA   ASP  62           HA       ASP  62   4.346   8.759  -6.275
  454    HB2  ASP  62           HB2      ASP  62   5.840   7.852  -3.829
  455    HB3  ASP  62           HB1      ASP  62   5.973   6.976  -5.349
  456    H    VAL  63           HN       VAL  63   2.720   7.817  -3.594
  457    HA   VAL  63           HA       VAL  63   2.101   5.150  -4.061
  458    HB   VAL  63           HB       VAL  63   0.722   7.387  -2.584
  459   HG11  VAL  63          HG11      VAL  63  -0.864   5.907  -1.649
  460   HG12  VAL  63          HG12      VAL  63  -0.273   4.555  -2.624
  461   HG13  VAL  63          HG13      VAL  63  -1.091   5.933  -3.399
  462   HG21  VAL  63          HG21      VAL  63   2.706   6.449  -1.638
  463   HG22  VAL  63          HG22      VAL  63   2.014   4.829  -1.729
  464   HG23  VAL  63          HG23      VAL  63   1.302   6.038  -0.659
  465    H    LYS  64           HN       LYS  64   1.028   7.983  -5.702
  466    HA   LYS  64           HA       LYS  64  -1.278   6.832  -6.772
  467    HB2  LYS  64           HB2      LYS  64  -1.307   8.683  -8.423
  468    HB3  LYS  64           HB1      LYS  64  -0.978   9.257  -6.789
  469    HG2  LYS  64           HG2      LYS  64   1.382   9.384  -7.298
  470    HG3  LYS  64           HG1      LYS  64   1.064   8.814  -8.935
  471    HD2  LYS  64           HD2      LYS  64   1.347  11.214  -8.847
  472    HD3  LYS  64           HD1      LYS  64  -0.287  10.766  -9.367
  473    HE2  LYS  64           HE2      LYS  64  -1.158  11.292  -7.155
  474    HE3  LYS  64           HE1      LYS  64   0.476  11.598  -6.555
  475    HZ1  LYS  64           HZ1      LYS  64  -0.777  13.661  -7.130
  476    HZ2  LYS  64           HZ2      LYS  64  -0.824  13.130  -8.730
  477    HZ3  LYS  64           HZ3      LYS  64   0.660  13.453  -8.008
  478    H    ASN  65           HN       ASN  65   2.006   6.605  -7.448
  479    HA   ASN  65           HA       ASN  65   1.779   5.647 -10.172
  480    HB2  ASN  65           HB2      ASN  65   4.166   5.682  -8.295
  481    HB3  ASN  65           HB1      ASN  65   4.213   5.364 -10.023
  482   HD21  ASN  65          HD21      ASN  65   5.487   7.464  -8.325
  483   HD22  ASN  65          HD22      ASN  65   5.022   8.951  -9.039
  484    H    LEU  66           HN       LEU  66   0.966   4.449  -7.279
  485    HA   LEU  66           HA       LEU  66   1.708   1.671  -7.974
  486    HB2  LEU  66           HB2      LEU  66   1.398   2.736  -5.198
  487    HB3  LEU  66           HB1      LEU  66   1.901   1.141  -5.755
  488    HG   LEU  66           HG       LEU  66   3.453   3.711  -6.081
  489   HD11  LEU  66          HD11      LEU  66   3.356   3.083  -3.766
  490   HD12  LEU  66          HD12      LEU  66   4.981   2.810  -4.390
  491   HD13  LEU  66          HD13      LEU  66   3.884   1.445  -4.148
  492   HD21  LEU  66          HD21      LEU  66   5.335   2.278  -6.728
  493   HD22  LEU  66          HD22      LEU  66   3.969   2.118  -7.836
  494   HD23  LEU  66          HD23      LEU  66   4.281   0.867  -6.629
  495    H    LYS  67           HN       LYS  67  -0.609   3.067  -8.677
  496    HA   LYS  67           HA       LYS  67  -2.864   2.856  -7.176
  497    HB2  LYS  67           HB2      LYS  67  -4.071   2.502  -9.327
  498    HB3  LYS  67           HB1      LYS  67  -2.980   3.883  -9.250
  499    HG2  LYS  67           HG2      LYS  67  -1.391   2.865 -10.563
  500    HG3  LYS  67           HG1      LYS  67  -2.077   1.257 -10.343
  501    HD2  LYS  67           HD2      LYS  67  -4.019   1.912 -11.636
  502    HD3  LYS  67           HD1      LYS  67  -3.407   3.565 -11.762
  503    HE2  LYS  67           HE2      LYS  67  -1.495   2.775 -13.023
  504    HE3  LYS  67           HE1      LYS  67  -2.053   1.111 -12.858
  505    HZ1  LYS  67           HZ1      LYS  67  -2.601   2.100 -14.992
  506    HZ2  LYS  67           HZ2      LYS  67  -3.591   3.260 -14.196
  507    HZ3  LYS  67           HZ3      LYS  67  -3.965   1.602 -14.120
  508    H    THR  68           HN       THR  68  -1.096   0.068  -7.646
  509    HA   THR  68           HA       THR  68  -3.453  -1.415  -6.919
  510    HB   THR  68           HB       THR  68  -2.259  -3.456  -7.888
  511    HG1  THR  68           HG1      THR  68  -1.469  -2.101 -10.094
  512   HG21  THR  68          HG21      THR  68  -4.413  -2.725  -8.607
  513   HG22  THR  68          HG22      THR  68  -3.459  -3.215 -10.018
  514   HG23  THR  68          HG23      THR  68  -3.678  -1.499  -9.639
  515    H    VAL  69           HN       VAL  69  -3.003  -3.353  -5.672
  516    HA   VAL  69           HA       VAL  69  -1.227  -2.857  -3.542
  517    HB   VAL  69           HB       VAL  69  -2.179  -5.547  -4.502
  518   HG11  VAL  69          HG11      VAL  69  -1.394  -4.521  -1.796
  519   HG12  VAL  69          HG12      VAL  69  -0.374  -5.449  -2.881
  520   HG13  VAL  69          HG13      VAL  69  -1.842  -6.204  -2.182
  521   HG21  VAL  69          HG21      VAL  69  -4.075  -4.063  -4.229
  522   HG22  VAL  69          HG22      VAL  69  -3.540  -3.651  -2.593
  523   HG23  VAL  69          HG23      VAL  69  -4.046  -5.302  -2.981
  524    H    GLY  70           HN       GLY  70  -0.910  -4.891  -6.370
  525    HA2  GLY  70           HA2      GLY  70   1.677  -5.873  -5.759
  526    HA3  GLY  70           HA1      GLY  70   0.827  -6.017  -7.289
  527    H    ASP  71           HN       ASP  71   0.562  -2.948  -7.115
  528    HA   ASP  71           HA       ASP  71   2.971  -2.382  -8.606
  529    HB2  ASP  71           HB2      ASP  71   0.532  -1.309  -8.720
  530    HB3  ASP  71           HB1      ASP  71   1.246  -0.290  -7.468
  531    H    ALA  72           HN       ALA  72   1.457  -1.467  -5.556
  532    HA   ALA  72           HA       ALA  72   3.594  -0.003  -4.432
  533    HB1  ALA  72           HB1      ALA  72   1.551  -1.766  -3.085
  534    HB2  ALA  72           HB2      ALA  72   1.344  -0.058  -3.485
  535    HB3  ALA  72           HB3      ALA  72   2.554  -0.549  -2.301
  536    H    THR  73           HN       THR  73   2.703  -3.388  -4.246
  537    HA   THR  73           HA       THR  73   4.851  -4.301  -2.704
  538    HB   THR  73           HB       THR  73   3.228  -5.821  -4.775
  539    HG1  THR  73           HG1      THR  73   1.904  -4.855  -3.207
  540   HG21  THR  73          HG21      THR  73   3.716  -7.790  -3.414
  541   HG22  THR  73          HG22      THR  73   4.712  -6.808  -2.339
  542   HG23  THR  73          HG23      THR  73   5.218  -7.072  -4.016
  543    H    LYS  74           HN       LYS  74   4.634  -3.466  -6.059
  544    HA   LYS  74           HA       LYS  74   6.822  -4.958  -7.072
  545    HB2  LYS  74           HB2      LYS  74   4.895  -3.774  -8.334
  546    HB3  LYS  74           HB1      LYS  74   5.802  -2.299  -8.076
  547    HG2  LYS  74           HG2      LYS  74   6.335  -2.963 -10.239
  548    HG3  LYS  74           HG1      LYS  74   7.717  -3.485  -9.271
  549    HD2  LYS  74           HD2      LYS  74   7.102  -5.264 -10.787
  550    HD3  LYS  74           HD1      LYS  74   6.720  -5.731  -9.125
  551    HE2  LYS  74           HE2      LYS  74   4.911  -6.371 -10.675
  552    HE3  LYS  74           HE1      LYS  74   4.367  -5.195  -9.483
  553    HZ1  LYS  74           HZ1      LYS  74   5.261  -4.364 -12.193
  554    HZ2  LYS  74           HZ2      LYS  74   4.287  -3.488 -11.138
  555    HZ3  LYS  74           HZ3      LYS  74   3.697  -4.846 -11.910
  556    H    TYR  75           HN       TYR  75   6.307  -1.551  -6.272
  557    HA   TYR  75           HA       TYR  75   8.916  -0.638  -6.504
  558    HB2  TYR  75           HB2      TYR  75   6.842   0.682  -6.600
  559    HB3  TYR  75           HB1      TYR  75   6.579   0.383  -4.895
  560    HD1  TYR  75           HD1      TYR  75   8.776   2.018  -7.331
  561    HD2  TYR  75           HD2      TYR  75   7.601   1.767  -3.265
  562    HE1  TYR  75           HE1      TYR  75  10.024   4.069  -6.862
  563    HE2  TYR  75           HE2      TYR  75   8.845   3.800  -2.760
  564    HH   TYR  75           HH       TYR  75   9.989   5.896  -5.166
  565    H    ILE  76           HN       ILE  76   7.031  -1.714  -3.735
  566    HA   ILE  76           HA       ILE  76   8.942  -1.026  -1.827
  567    HB   ILE  76           HB       ILE  76   6.515  -2.811  -1.604
  568   HG12  ILE  76          HG12      ILE  76   7.053   0.014  -0.667
  569   HG13  ILE  76          HG11      ILE  76   6.137  -0.430  -2.095
  570   HG21  ILE  76          HG21      ILE  76   8.042  -3.519   0.113
  571   HG22  ILE  76          HG22      ILE  76   6.760  -2.573   0.862
  572   HG23  ILE  76          HG23      ILE  76   8.356  -1.865   0.609
  573   HD11  ILE  76          HD11      ILE  76   4.466  -1.514  -0.691
  574   HD12  ILE  76          HD12      ILE  76   4.692   0.188  -0.282
  575   HD13  ILE  76          HD13      ILE  76   5.390  -1.065   0.749
  576    H    LEU  77           HN       LEU  77   8.324  -4.096  -3.511
  577    HA   LEU  77           HA       LEU  77  10.090  -5.521  -1.786
  578    HB2  LEU  77           HB2      LEU  77   8.191  -6.544  -3.084
  579    HB3  LEU  77           HB1      LEU  77   9.155  -6.394  -4.537
  580    HG   LEU  77           HG       LEU  77  10.071  -8.020  -2.164
  581   HD11  LEU  77          HD11      LEU  77   8.449  -8.935  -4.547
  582   HD12  LEU  77          HD12      LEU  77   7.897  -8.871  -2.871
  583   HD13  LEU  77          HD13      LEU  77   9.172  -9.994  -3.337
  584   HD21  LEU  77          HD21      LEU  77  10.767  -8.166  -5.107
  585   HD22  LEU  77          HD22      LEU  77  11.411  -9.215  -3.845
  586   HD23  LEU  77          HD23      LEU  77  11.789  -7.489  -3.839
  587    H    ASP  78           HN       ASP  78  10.165  -4.085  -4.994
  588    HA   ASP  78           HA       ASP  78  12.683  -4.903  -5.904
  589    HB2  ASP  78           HB2      ASP  78  10.973  -3.920  -7.355
  590    HB3  ASP  78           HB1      ASP  78  11.137  -2.381  -6.526
  591    H    HIS  79           HN       HIS  79  11.706  -2.030  -4.119
  592    HA   HIS  79           HA       HIS  79  14.442  -1.168  -3.914
  593    HB2  HIS  79           HB2      HIS  79  11.852  -0.089  -2.989
  594    HB3  HIS  79           HB1      HIS  79  13.294   0.482  -2.186
  595    HD1  HIS  79           HD1      HIS  79  14.971   1.865  -3.694
  596    HD2  HIS  79           HD2      HIS  79  11.390   0.849  -5.536
  597    HE1  HIS  79           HE1      HIS  79  14.834   3.298  -5.744
  598    HE2  HIS  79           HE2      HIS  79  12.838   2.417  -6.982
  599    H    GLN  80           HN       GLN  80  11.999  -2.132  -1.488
  600    HA   GLN  80           HA       GLN  80  12.168  -2.814   0.621
  601    HB2  GLN  80           HB2      GLN  80  13.861  -4.540  -1.005
  602    HB3  GLN  80           HB1      GLN  80  14.168  -4.665   0.710
  603    HG2  GLN  80           HG2      GLN  80  11.608  -5.167  -0.760
  604    HG3  GLN  80           HG1      GLN  80  12.585  -6.314   0.158
  605   HE21  GLN  80          HE21      GLN  80  10.083  -4.071   0.284
  606   HE22  GLN  80          HE22      GLN  80   9.788  -4.125   1.986
  607    H    ALA  81           HN       ALA  81  13.977  -3.684   2.307
  608    HA   ALA  81           HA       ALA  81  15.947  -1.561   2.569
  609    HB1  ALA  81           HB1      ALA  81  15.648  -1.727   4.998
  610    HB2  ALA  81           HB2      ALA  81  14.375  -2.925   4.756
  611    HB3  ALA  81           HB3      ALA  81  14.152  -1.268   4.183
  612    H28  SXH 101          H28B      SXH 101  -5.463   9.615  -2.815
  613   H28A  SXH 101          H28A      SXH 101  -5.865   9.354  -1.133
  614    H30  SXH 101          H30C      SXH 101  -4.079  11.495  -3.425
  615   H30A  SXH 101          H30A      SXH 101  -3.285  12.520  -2.210
  616   H30B  SXH 101          H30B      SXH 101  -5.018  12.657  -2.500
  617    H31  SXH 101          H31A      SXH 101  -5.690  12.317  -0.289
  618   H31A  SXH 101          H31C      SXH 101  -5.105  10.944   0.648
  619   H31B  SXH 101          H31B      SXH 101  -4.006  12.256   0.226
  620    H32  SXH 101          H32A      SXH 101  -2.322  10.591  -0.980
  621   HO33  SXH 101          H33A      SXH 101  -3.624   8.302  -0.468
  622   HN36  SXH 101          H36A      SXH 101  -2.307  10.490  -3.364
  623    H37  SXH 101          H37A      SXH 101  -1.346   9.232  -4.989
  624   H37A  SXH 101          H37B      SXH 101  -1.931   7.730  -4.269
  625    H38  SXH 101          H38A      SXH 101  -3.667   9.857  -5.579
  626   H38A  SXH 101          H38B      SXH 101  -2.914   8.569  -6.499
  627   HN41  SXH 101          H41A      SXH 101  -3.474   7.031  -3.840
  628    H42  SXH 101          H42A      SXH 101  -5.601   6.374  -2.888
  629   H42A  SXH 101          H42B      SXH 101  -6.085   5.968  -4.551
  630    H43  SXH 101          H43A      SXH 101  -5.198   4.061  -3.139
  631   H43A  SXH 101          H43B      SXH 101  -3.604   4.873  -3.210
  632    H2   SXH 101           H2A      SXH 101  -2.128   3.773  -3.731
  633    H2A  SXH 101           H2B      SXH 101  -1.496   2.666  -4.929
  634    H3   SXH 101           H3A      SXH 101  -1.896   0.778  -3.556
  635    H3A  SXH 101           H3B      SXH 101  -2.639   1.788  -2.303
  636    H4   SXH 101           H4B      SXH 101   0.229   1.864  -3.235
  637    H4A  SXH 101           H4A      SXH 101  -0.486   3.009  -2.096
  638    H5   SXH 101           H5A      SXH 101  -0.260   0.021  -1.698
  639    H5A  SXH 101           H5B      SXH 101  -0.993   1.170  -0.563
  640    H6   SXH 101           H6C      SXH 101   1.311   0.641   0.058
  641    H6A  SXH 101           H6A      SXH 101   1.145   2.337  -0.389
  642    H6B  SXH 101           H6B      SXH 101   1.865   1.192  -1.524
  Start of MODEL   12
    1    H1   ALA   1           HT1      ALA   1  13.955  -8.535   5.363
    2    H2   ALA   1           HT2      ALA   1  13.462  -7.034   5.909
    3    H3   ALA   1           HT3      ALA   1  14.927  -7.188   5.076
    4    HA   ALA   1           HA       ALA   1  13.190  -6.229   3.684
    5    HB1  ALA   1           HB1      ALA   1  13.528  -7.708   1.776
    6    HB2  ALA   1           HB2      ALA   1  14.095  -8.985   2.853
    7    HB3  ALA   1           HB3      ALA   1  15.028  -7.494   2.679
    8    H    ALA   2           HN       ALA   2  11.395  -7.048   2.155
    9    HA   ALA   2           HA       ALA   2   9.582  -8.884   3.525
   10    HB1  ALA   2           HB1      ALA   2   8.819  -6.195   2.355
   11    HB2  ALA   2           HB2      ALA   2   8.840  -6.607   4.072
   12    HB3  ALA   2           HB3      ALA   2   7.690  -7.391   2.993
   13    H    THR   3           HN       THR   3   7.848  -9.641   1.924
   14    HA   THR   3           HA       THR   3   9.077  -9.802  -0.698
   15    HB   THR   3           HB       THR   3   7.993 -12.104  -0.784
   16    HG1  THR   3           HG1      THR   3   8.067 -11.880   2.026
   17   HG21  THR   3          HG21      THR   3   9.783 -13.193   0.473
   18   HG22  THR   3          HG22      THR   3  10.102 -11.676   1.317
   19   HG23  THR   3          HG23      THR   3  10.423 -11.801  -0.419
   20    H    GLN   4           HN       GLN   4   6.928 -11.166  -1.904
   21    HA   GLN   4           HA       GLN   4   5.369  -8.940  -2.508
   22    HB2  GLN   4           HB2      GLN   4   5.859 -10.747  -4.113
   23    HB3  GLN   4           HB1      GLN   4   4.911 -11.864  -3.160
   24    HG2  GLN   4           HG2      GLN   4   3.589  -9.431  -4.273
   25    HG3  GLN   4           HG1      GLN   4   3.981 -10.762  -5.355
   26   HE21  GLN   4          HE21      GLN   4   2.016  -9.705  -2.734
   27   HE22  GLN   4          HE22      GLN   4   0.950 -11.050  -2.679
   28    H    GLU   5           HN       GLU   5   4.432 -11.912  -0.803
   29    HA   GLU   5           HA       GLU   5   1.946 -10.778  -0.044
   30    HB2  GLU   5           HB2      GLU   5   3.363 -13.278   0.749
   31    HB3  GLU   5           HB1      GLU   5   1.867 -12.788   1.540
   32    HG2  GLU   5           HG2      GLU   5   2.199 -13.183  -1.420
   33    HG3  GLU   5           HG1      GLU   5   1.524 -14.376  -0.308
   34    H    GLU   6           HN       GLU   6   5.057 -10.698   1.434
   35    HA   GLU   6           HA       GLU   6   4.065 -10.076   4.025
   36    HB2  GLU   6           HB2      GLU   6   6.760  -9.479   2.857
   37    HB3  GLU   6           HB1      GLU   6   6.329  -9.205   4.535
   38    HG2  GLU   6           HG2      GLU   6   5.886 -11.574   4.830
   39    HG3  GLU   6           HG1      GLU   6   6.302 -11.865   3.143
   40    H    ILE   7           HN       ILE   7   5.283  -8.002   1.343
   41    HA   ILE   7           HA       ILE   7   4.648  -5.587   2.557
   42    HB   ILE   7           HB       ILE   7   4.637  -6.395  -0.360
   43   HG12  ILE   7          HG12      ILE   7   6.723  -4.963   1.265
   44   HG13  ILE   7          HG11      ILE   7   6.733  -6.696   0.959
   45   HG21  ILE   7          HG21      ILE   7   4.869  -3.995  -0.825
   46   HG22  ILE   7          HG22      ILE   7   4.695  -3.643   0.893
   47   HG23  ILE   7          HG23      ILE   7   3.346  -4.336  -0.006
   48   HD11  ILE   7          HD11      ILE   7   6.855  -4.538  -1.106
   49   HD12  ILE   7          HD12      ILE   7   6.869  -6.275  -1.412
   50   HD13  ILE   7          HD13      ILE   7   8.201  -5.520  -0.534
   51    H    VAL   8           HN       VAL   8   2.809  -7.741   0.512
   52    HA   VAL   8           HA       VAL   8   0.452  -6.217   0.265
   53    HB   VAL   8           HB       VAL   8   0.776  -9.241   0.220
   54   HG11  VAL   8          HG11      VAL   8  -1.717  -7.647  -0.448
   55   HG12  VAL   8          HG12      VAL   8  -1.538  -8.715   0.941
   56   HG13  VAL   8          HG13      VAL   8  -1.502  -9.380  -0.693
   57   HG21  VAL   8          HG21      VAL   8   0.376  -8.936  -2.159
   58   HG22  VAL   8          HG22      VAL   8   1.763  -7.998  -1.605
   59   HG23  VAL   8          HG23      VAL   8   0.224  -7.198  -1.917
   60    H    ALA   9           HN       ALA   9   1.035  -8.789   2.671
   61    HA   ALA   9           HA       ALA   9  -1.370  -8.371   4.076
   62    HB1  ALA   9           HB1      ALA   9   1.212  -9.548   5.091
   63    HB2  ALA   9           HB2      ALA   9  -0.039 -10.426   4.219
   64    HB3  ALA   9           HB3      ALA   9  -0.384  -9.754   5.816
   65    H    GLY  10           HN       GLY  10   1.718  -6.821   4.252
   66    HA2  GLY  10           HA2      GLY  10   1.397  -5.604   6.791
   67    HA3  GLY  10           HA1      GLY  10   2.575  -5.169   5.555
   68    H    LEU  11           HN       LEU  11   0.970  -4.565   3.455
   69    HA   LEU  11           HA       LEU  11  -0.015  -1.955   4.048
   70    HB2  LEU  11           HB2      LEU  11  -0.705  -3.747   1.710
   71    HB3  LEU  11           HB1      LEU  11  -0.936  -2.017   1.791
   72    HG   LEU  11           HG       LEU  11   1.723  -3.431   1.736
   73   HD11  LEU  11          HD11      LEU  11   0.561  -3.604  -0.381
   74   HD12  LEU  11          HD12      LEU  11   1.928  -2.501  -0.508
   75   HD13  LEU  11          HD13      LEU  11   0.285  -1.862  -0.394
   76   HD21  LEU  11          HD21      LEU  11   2.659  -1.197   1.434
   77   HD22  LEU  11          HD22      LEU  11   1.819  -1.339   2.979
   78   HD23  LEU  11          HD23      LEU  11   1.056  -0.495   1.631
   79    H    ALA  12           HN       ALA  12  -1.534  -5.059   3.435
   80    HA   ALA  12           HA       ALA  12  -4.175  -4.339   3.530
   81    HB1  ALA  12           HB1      ALA  12  -3.391  -6.516   2.832
   82    HB2  ALA  12           HB2      ALA  12  -4.690  -6.587   4.027
   83    HB3  ALA  12           HB3      ALA  12  -3.018  -6.919   4.518
   84    H    GLU  13           HN       GLU  13  -2.194  -5.496   6.291
   85    HA   GLU  13           HA       GLU  13  -4.276  -5.314   8.131
   86    HB2  GLU  13           HB2      GLU  13  -2.550  -5.284   9.901
   87    HB3  GLU  13           HB1      GLU  13  -2.274  -6.542   8.704
   88    HG2  GLU  13           HG2      GLU  13  -0.581  -5.187   7.647
   89    HG3  GLU  13           HG1      GLU  13  -0.894  -3.881   8.787
   90    H    ILE  14           HN       ILE  14  -2.211  -2.850   6.945
   91    HA   ILE  14           HA       ILE  14  -3.061  -0.847   8.833
   92    HB   ILE  14           HB       ILE  14  -1.967  -0.439   6.016
   93   HG12  ILE  14          HG12      ILE  14  -0.389  -0.412   8.578
   94   HG13  ILE  14          HG11      ILE  14  -0.597  -1.886   7.631
   95   HG21  ILE  14          HG21      ILE  14  -1.250   1.732   6.944
   96   HG22  ILE  14          HG22      ILE  14  -1.989   1.310   8.493
   97   HG23  ILE  14          HG23      ILE  14  -3.002   1.545   7.070
   98   HD11  ILE  14          HD11      ILE  14   0.416  -0.807   5.741
   99   HD12  ILE  14          HD12      ILE  14   1.490  -0.809   7.142
  100   HD13  ILE  14          HD13      ILE  14   0.642   0.680   6.673
  101    H    VAL  15           HN       VAL  15  -3.889  -1.593   5.474
  102    HA   VAL  15           HA       VAL  15  -5.946   0.196   4.960
  103    HB   VAL  15           HB       VAL  15  -5.662  -2.647   3.935
  104   HG11  VAL  15          HG11      VAL  15  -6.943  -1.888   1.978
  105   HG12  VAL  15          HG12      VAL  15  -7.166  -0.314   2.723
  106   HG13  VAL  15          HG13      VAL  15  -7.892  -1.747   3.447
  107   HG21  VAL  15          HG21      VAL  15  -3.697  -1.272   3.609
  108   HG22  VAL  15          HG22      VAL  15  -4.669  -0.065   2.750
  109   HG23  VAL  15          HG23      VAL  15  -4.493  -1.718   2.114
  110    H    ASN  16           HN       ASN  16  -6.031  -2.943   6.511
  111    HA   ASN  16           HA       ASN  16  -8.754  -3.459   6.801
  112    HB2  ASN  16           HB2      ASN  16  -6.387  -4.104   8.511
  113    HB3  ASN  16           HB1      ASN  16  -7.989  -4.512   9.098
  114   HD21  ASN  16          HD21      ASN  16  -6.820  -4.790   5.771
  115   HD22  ASN  16          HD22      ASN  16  -6.907  -6.506   5.775
  116    H    GLU  17           HN       GLU  17  -6.615  -1.523   8.820
  117    HA   GLU  17           HA       GLU  17  -8.573  -1.050  10.815
  118    HB2  GLU  17           HB2      GLU  17  -5.980   0.397  10.307
  119    HB3  GLU  17           HB1      GLU  17  -6.950   0.494  11.769
  120    HG2  GLU  17           HG2      GLU  17  -5.513  -1.929  10.715
  121    HG3  GLU  17           HG1      GLU  17  -5.062  -0.957  12.114
  122    H    ILE  18           HN       ILE  18  -7.228   0.974   8.223
  123    HA   ILE  18           HA       ILE  18  -8.938   3.193   9.082
  124    HB   ILE  18           HB       ILE  18  -7.361   3.225   6.537
  125   HG12  ILE  18          HG12      ILE  18  -6.200   3.920   9.235
  126   HG13  ILE  18          HG11      ILE  18  -5.883   2.375   8.430
  127   HG21  ILE  18          HG21      ILE  18  -8.084   5.295   8.621
  128   HG22  ILE  18          HG22      ILE  18  -8.825   5.112   7.024
  129   HG23  ILE  18          HG23      ILE  18  -7.131   5.595   7.169
  130   HD11  ILE  18          HD11      ILE  18  -5.282   5.106   7.355
  131   HD12  ILE  18          HD12      ILE  18  -4.956   3.603   6.538
  132   HD13  ILE  18          HD13      ILE  18  -4.096   3.991   8.043
  133    H    ALA  19           HN       ALA  19  -8.500   1.378   5.984
  134    HA   ALA  19           HA       ALA  19 -10.932   2.533   4.927
  135    HB1  ALA  19           HB1      ALA  19  -9.070   2.027   3.410
  136    HB2  ALA  19           HB2      ALA  19 -10.527   1.136   2.953
  137    HB3  ALA  19           HB3      ALA  19  -9.227   0.313   3.796
  138    H    GLY  20           HN       GLY  20  -9.903  -0.683   5.931
  139    HA2  GLY  20           HA2      GLY  20 -11.428  -2.091   7.130
  140    HA3  GLY  20           HA1      GLY  20 -12.745  -1.357   6.220
  141    H    ILE  21           HN       ILE  21 -10.038  -1.975   4.206
  142    HA   ILE  21           HA       ILE  21 -11.453  -4.085   2.889
  143    HB   ILE  21           HB       ILE  21  -8.632  -3.076   2.434
  144   HG12  ILE  21          HG12      ILE  21 -10.185  -1.252   2.154
  145   HG13  ILE  21          HG11      ILE  21  -9.628  -1.785   0.571
  146   HG21  ILE  21          HG21      ILE  21  -8.854  -4.088   0.224
  147   HG22  ILE  21          HG22      ILE  21 -10.475  -4.656   0.639
  148   HG23  ILE  21          HG23      ILE  21  -9.071  -5.295   1.492
  149   HD11  ILE  21          HD11      ILE  21 -11.674  -3.046   0.283
  150   HD12  ILE  21          HD12      ILE  21 -11.965  -1.316   0.554
  151   HD13  ILE  21          HD13      ILE  21 -12.237  -2.484   1.863
  152    HA   PRO  22           HA       PRO  22  -9.634  -6.982   5.791
  153    HB2  PRO  22           HB2      PRO  22 -10.462  -9.053   3.879
  154    HB3  PRO  22           HB1      PRO  22 -10.973  -8.804   5.549
  155    HG2  PRO  22           HG2      PRO  22 -12.587  -8.333   3.462
  156    HG3  PRO  22           HG1      PRO  22 -12.667  -7.377   4.958
  157    HD2  PRO  22           HD2      PRO  22 -11.454  -6.681   2.320
  158    HD3  PRO  22           HD1      PRO  22 -12.340  -5.652   3.464
  159    H    VAL  23           HN       VAL  23  -7.974  -8.605   5.841
  160    HA   VAL  23           HA       VAL  23  -5.883  -8.068   4.002
  161    HB   VAL  23           HB       VAL  23  -4.580  -9.898   5.088
  162   HG11  VAL  23          HG11      VAL  23  -4.450  -8.949   7.341
  163   HG12  VAL  23          HG12      VAL  23  -5.949  -8.063   7.047
  164   HG13  VAL  23          HG13      VAL  23  -4.513  -7.706   6.093
  165   HG21  VAL  23          HG21      VAL  23  -6.376 -11.482   5.518
  166   HG22  VAL  23          HG22      VAL  23  -7.100 -10.375   6.680
  167   HG23  VAL  23          HG23      VAL  23  -5.532 -11.106   7.022
  168    H    GLU  24           HN       GLU  24  -8.461 -10.170   4.037
  169    HA   GLU  24           HA       GLU  24  -7.554 -12.196   2.271
  170    HB2  GLU  24           HB2      GLU  24 -10.348 -11.236   2.830
  171    HB3  GLU  24           HB1      GLU  24  -9.907 -12.755   2.071
  172    HG2  GLU  24           HG2      GLU  24  -8.872 -13.499   4.140
  173    HG3  GLU  24           HG1      GLU  24  -9.268 -11.954   4.901
  174    H    ASP  25           HN       ASP  25  -9.239  -9.099   1.905
  175    HA   ASP  25           HA       ASP  25  -9.780  -9.613  -0.861
  176    HB2  ASP  25           HB2      ASP  25 -11.345  -8.333   0.653
  177    HB3  ASP  25           HB1      ASP  25 -10.174  -7.020   0.647
  178    H    VAL  26           HN       VAL  26  -7.547  -7.513   0.994
  179    HA   VAL  26           HA       VAL  26  -6.302  -6.312  -1.195
  180    HB   VAL  26           HB       VAL  26  -5.144  -7.094   1.506
  181   HG11  VAL  26          HG11      VAL  26  -3.346  -6.721  -0.103
  182   HG12  VAL  26          HG12      VAL  26  -3.396  -5.418   1.078
  183   HG13  VAL  26          HG13      VAL  26  -4.039  -5.165  -0.548
  184   HG21  VAL  26          HG21      VAL  26  -6.272  -4.470   0.534
  185   HG22  VAL  26          HG22      VAL  26  -5.520  -4.747   2.107
  186   HG23  VAL  26          HG23      VAL  26  -7.027  -5.563   1.691
  187    H    LYS  27           HN       LYS  27  -5.819  -7.648  -2.807
  188    HA   LYS  27           HA       LYS  27  -3.598  -9.494  -2.380
  189    HB2  LYS  27           HB2      LYS  27  -5.943  -9.756  -4.297
  190    HB3  LYS  27           HB1      LYS  27  -4.490 -10.745  -4.414
  191    HG2  LYS  27           HG2      LYS  27  -6.226 -10.630  -1.956
  192    HG3  LYS  27           HG1      LYS  27  -6.415 -11.832  -3.237
  193    HD2  LYS  27           HD2      LYS  27  -4.308 -12.786  -2.812
  194    HD3  LYS  27           HD1      LYS  27  -3.770 -11.400  -1.869
  195    HE2  LYS  27           HE2      LYS  27  -6.045 -13.170  -0.996
  196    HE3  LYS  27           HE1      LYS  27  -4.359 -13.486  -0.559
  197    HZ1  LYS  27           HZ1      LYS  27  -5.528 -12.293   1.140
  198    HZ2  LYS  27           HZ2      LYS  27  -5.854 -10.996   0.092
  199    HZ3  LYS  27           HZ3      LYS  27  -4.267 -11.393   0.515
  200    H    LEU  28           HN       LEU  28  -2.179  -9.540  -4.379
  201    HA   LEU  28           HA       LEU  28  -1.459  -6.849  -4.676
  202    HB2  LEU  28           HB2      LEU  28   0.485  -7.510  -5.614
  203    HB3  LEU  28           HB1      LEU  28  -0.065  -8.971  -4.813
  204    HG   LEU  28           HG       LEU  28  -0.708  -8.646  -7.686
  205   HD11  LEU  28          HD11      LEU  28   1.957  -9.468  -6.555
  206   HD12  LEU  28          HD12      LEU  28   1.578  -7.955  -7.369
  207   HD13  LEU  28          HD13      LEU  28   1.492  -9.479  -8.276
  208   HD21  LEU  28          HD21      LEU  28  -1.554 -10.574  -6.396
  209   HD22  LEU  28          HD22      LEU  28   0.102 -10.989  -5.945
  210   HD23  LEU  28          HD23      LEU  28  -0.403 -11.076  -7.634
  211    H    ASP  29           HN       ASP  29  -3.559  -8.604  -6.750
  212    HA   ASP  29           HA       ASP  29  -3.049  -6.663  -8.883
  213    HB2  ASP  29           HB2      ASP  29  -2.884  -9.111  -9.356
  214    HB3  ASP  29           HB1      ASP  29  -4.576  -9.236  -8.883
  215    H    LYS  30           HN       LYS  30  -4.286  -5.902  -6.530
  216    HA   LYS  30           HA       LYS  30  -7.018  -5.547  -7.376
  217    HB2  LYS  30           HB2      LYS  30  -5.959  -6.002  -4.589
  218    HB3  LYS  30           HB1      LYS  30  -7.604  -5.501  -4.964
  219    HG2  LYS  30           HG2      LYS  30  -6.342  -8.081  -5.887
  220    HG3  LYS  30           HG1      LYS  30  -7.383  -7.907  -4.472
  221    HD2  LYS  30           HD2      LYS  30  -9.219  -7.177  -5.877
  222    HD3  LYS  30           HD1      LYS  30  -8.170  -7.205  -7.292
  223    HE2  LYS  30           HE2      LYS  30  -8.792  -9.634  -5.628
  224    HE3  LYS  30           HE1      LYS  30  -9.713  -9.169  -7.056
  225    HZ1  LYS  30           HZ1      LYS  30  -8.078 -10.798  -7.616
  226    HZ2  LYS  30           HZ2      LYS  30  -6.805  -9.886  -7.021
  227    HZ3  LYS  30           HZ3      LYS  30  -7.677  -9.364  -8.375
  228    H    SER  31           HN       SER  31  -6.990  -3.705  -8.034
  229    HA   SER  31           HA       SER  31  -5.470  -1.446  -7.273
  230    HB2  SER  31           HB2      SER  31  -8.297  -1.311  -8.332
  231    HB3  SER  31           HB1      SER  31  -6.978  -0.178  -8.605
  232    HG   SER  31           HG       SER  31  -7.461  -2.699  -9.712
  233    H    PHE  32           HN       PHE  32  -5.530  -0.688  -5.263
  234    HA   PHE  32           HA       PHE  32  -7.301  -1.112  -3.261
  235    HB2  PHE  32           HB2      PHE  32  -5.457   1.107  -3.792
  236    HB3  PHE  32           HB1      PHE  32  -6.566   1.273  -2.422
  237    HD1  PHE  32           HD1      PHE  32  -6.522  -0.553  -0.629
  238    HD2  PHE  32           HD2      PHE  32  -3.516  -0.196  -3.671
  239    HE1  PHE  32           HE1      PHE  32  -5.008  -1.914   0.683
  240    HE2  PHE  32           HE2      PHE  32  -2.026  -1.538  -2.354
  241    HZ   PHE  32           HZ       PHE  32  -2.810  -2.446  -0.108
  242    H    THR  33           HN       THR  33  -7.582   2.077  -5.009
  243    HA   THR  33           HA       THR  33 -10.256   2.388  -4.083
  244    HB   THR  33           HB       THR  33  -9.920   4.305  -5.895
  245    HG1  THR  33           HG1      THR  33  -7.965   4.617  -6.451
  246   HG21  THR  33          HG21      THR  33 -10.272   4.699  -3.496
  247   HG22  THR  33          HG22      THR  33  -8.963   5.715  -4.111
  248   HG23  THR  33          HG23      THR  33  -8.590   4.272  -3.175
  249    H    ASP  34           HN       ASP  34 -10.228  -0.006  -5.678
  250    HA   ASP  34           HA       ASP  34 -12.182   0.667  -7.663
  251    HB2  ASP  34           HB2      ASP  34 -10.087   1.374  -8.832
  252    HB3  ASP  34           HB1      ASP  34  -9.556  -0.301  -8.796
  253    H    ASP  35           HN       ASP  35  -9.773  -1.759  -6.867
  254    HA   ASP  35           HA       ASP  35 -11.550  -3.987  -7.520
  255    HB2  ASP  35           HB2      ASP  35  -8.744  -3.546  -6.960
  256    HB3  ASP  35           HB1      ASP  35  -9.198  -5.109  -6.422
  257    H    LEU  36           HN       LEU  36  -9.986  -2.450  -4.884
  258    HA   LEU  36           HA       LEU  36 -11.145  -4.302  -2.991
  259    HB2  LEU  36           HB2      LEU  36  -9.383  -1.911  -2.535
  260    HB3  LEU  36           HB1      LEU  36  -9.848  -3.100  -1.329
  261    HG   LEU  36           HG       LEU  36  -8.121  -3.575  -3.752
  262   HD11  LEU  36          HD11      LEU  36  -6.979  -2.449  -1.953
  263   HD12  LEU  36          HD12      LEU  36  -6.410  -4.112  -2.126
  264   HD13  LEU  36          HD13      LEU  36  -7.517  -3.687  -0.822
  265   HD21  LEU  36          HD21      LEU  36  -7.879  -5.844  -2.928
  266   HD22  LEU  36          HD22      LEU  36  -9.549  -5.475  -3.360
  267   HD23  LEU  36          HD23      LEU  36  -9.064  -5.516  -1.666
  268    H    ASP  37           HN       ASP  37 -10.813  -1.000  -2.308
  269    HA   ASP  37           HA       ASP  37 -13.096   0.397  -2.760
  270    HB2  ASP  37           HB2      ASP  37 -14.316  -1.696  -1.718
  271    HB3  ASP  37           HB1      ASP  37 -13.699  -1.144  -0.197
  272    H    VAL  38           HN       VAL  38 -10.368   0.717  -1.940
  273    HA   VAL  38           HA       VAL  38 -10.242   1.279   0.834
  274    HB   VAL  38           HB       VAL  38  -8.268   0.786  -0.826
  275   HG11  VAL  38          HG11      VAL  38  -6.979   2.731  -1.505
  276   HG12  VAL  38          HG12      VAL  38  -8.306   3.771  -0.988
  277   HG13  VAL  38          HG13      VAL  38  -8.545   2.627  -2.310
  278   HG21  VAL  38          HG21      VAL  38  -7.954   2.756   1.421
  279   HG22  VAL  38          HG22      VAL  38  -6.643   1.837   0.685
  280   HG23  VAL  38          HG23      VAL  38  -7.938   0.996   1.542
  281    H    ASP  39           HN       ASP  39  -9.925   3.401   1.857
  282    HA   ASP  39           HA       ASP  39 -12.037   5.119   1.026
  283    HB2  ASP  39           HB2      ASP  39 -11.763   4.385   3.332
  284    HB3  ASP  39           HB1      ASP  39 -10.137   5.027   3.375
  285    H    SER  40           HN       SER  40  -8.902   4.796   0.272
  286    HA   SER  40           HA       SER  40  -7.186   5.902  -0.536
  287    HB2  SER  40           HB2      SER  40  -7.524   7.654  -2.067
  288    HB3  SER  40           HB1      SER  40  -9.052   6.771  -2.090
  289    H    LEU  41           HN       LEU  41  -9.039   7.680   1.755
  290    HA   LEU  41           HA       LEU  41  -7.005   9.655   2.338
  291    HB2  LEU  41           HB2      LEU  41  -9.438   8.885   3.959
  292    HB3  LEU  41           HB1      LEU  41  -8.536  10.383   4.065
  293    HG   LEU  41           HG       LEU  41 -10.228   9.496   1.739
  294   HD11  LEU  41          HD11      LEU  41 -10.674  11.664   3.797
  295   HD12  LEU  41          HD12      LEU  41 -11.573  10.155   3.659
  296   HD13  LEU  41          HD13      LEU  41 -11.688  11.372   2.386
  297   HD21  LEU  41          HD21      LEU  41  -8.335  10.833   0.985
  298   HD22  LEU  41          HD22      LEU  41  -8.723  12.080   2.174
  299   HD23  LEU  41          HD23      LEU  41  -9.833  11.757   0.844
  300    H    SER  42           HN       SER  42  -7.800   6.500   3.031
  301    HA   SER  42           HA       SER  42  -6.600   6.135   5.523
  302    HB2  SER  42           HB2      SER  42  -6.759   3.741   4.703
  303    HB3  SER  42           HB1      SER  42  -8.287   4.628   4.757
  304    HG   SER  42           HG       SER  42  -6.690   3.937   2.557
  305    H    MET  43           HN       MET  43  -5.662   6.367   2.159
  306    HA   MET  43           HA       MET  43  -3.456   4.617   2.302
  307    HB2  MET  43           HB2      MET  43  -4.755   5.293   0.209
  308    HB3  MET  43           HB1      MET  43  -3.785   6.765   0.235
  309    HG2  MET  43           HG2      MET  43  -2.818   5.097  -1.232
  310    HG3  MET  43           HG1      MET  43  -1.756   5.440   0.142
  311    HE1  MET  43           HE1      MET  43  -4.391   1.680  -0.221
  312    HE2  MET  43           HE2      MET  43  -4.215   2.891  -1.489
  313    HE3  MET  43           HE3      MET  43  -5.063   3.294   0.005
  314    H    VAL  44           HN       VAL  44  -3.902   8.016   2.749
  315    HA   VAL  44           HA       VAL  44  -1.314   8.919   2.779
  316    HB   VAL  44           HB       VAL  44  -3.546   9.684   4.692
  317   HG11  VAL  44          HG11      VAL  44  -2.402  11.837   4.865
  318   HG12  VAL  44          HG12      VAL  44  -1.098  11.224   3.846
  319   HG13  VAL  44          HG13      VAL  44  -1.386  10.515   5.436
  320   HG21  VAL  44          HG21      VAL  44  -4.079  11.443   3.050
  321   HG22  VAL  44          HG22      VAL  44  -4.195   9.834   2.321
  322   HG23  VAL  44          HG23      VAL  44  -2.815  10.826   1.991
  323    H    GLU  45           HN       GLU  45  -3.194   7.531   5.457
  324    HA   GLU  45           HA       GLU  45  -1.002   7.471   7.275
  325    HB2  GLU  45           HB2      GLU  45  -3.616   5.974   7.395
  326    HB3  GLU  45           HB1      GLU  45  -2.541   6.326   8.731
  327    HG2  GLU  45           HG2      GLU  45  -4.078   8.377   7.157
  328    HG3  GLU  45           HG1      GLU  45  -4.568   7.713   8.711
  329    H    VAL  46           HN       VAL  46  -2.496   5.236   4.982
  330    HA   VAL  46           HA       VAL  46  -1.232   2.906   5.923
  331    HB   VAL  46           HB       VAL  46  -2.198   3.450   3.057
  332   HG11  VAL  46          HG11      VAL  46  -2.263   1.040   2.778
  333   HG12  VAL  46          HG12      VAL  46  -1.582   0.822   4.379
  334   HG13  VAL  46          HG13      VAL  46  -0.599   1.566   3.098
  335   HG21  VAL  46          HG21      VAL  46  -3.525   2.002   5.339
  336   HG22  VAL  46          HG22      VAL  46  -4.124   2.044   3.688
  337   HG23  VAL  46          HG23      VAL  46  -4.029   3.539   4.633
  338    H    VAL  47           HN       VAL  47  -0.252   5.430   3.715
  339    HA   VAL  47           HA       VAL  47   2.212   4.426   2.775
  340    HB   VAL  47           HB       VAL  47   0.883   7.129   3.054
  341   HG11  VAL  47          HG11      VAL  47   3.709   6.728   2.076
  342   HG12  VAL  47          HG12      VAL  47   3.243   7.562   3.557
  343   HG13  VAL  47          HG13      VAL  47   2.780   8.224   1.987
  344   HG21  VAL  47          HG21      VAL  47   1.110   7.139   0.627
  345   HG22  VAL  47          HG22      VAL  47   0.240   5.721   1.208
  346   HG23  VAL  47          HG23      VAL  47   1.923   5.576   0.702
  347    H    VAL  48           HN       VAL  48   1.639   6.767   5.362
  348    HA   VAL  48           HA       VAL  48   4.318   6.854   6.131
  349    HB   VAL  48           HB       VAL  48   2.304   8.339   6.786
  350   HG11  VAL  48          HG11      VAL  48   2.301   6.398   8.957
  351   HG12  VAL  48          HG12      VAL  48   1.020   6.720   7.789
  352   HG13  VAL  48          HG13      VAL  48   1.439   7.954   9.022
  353   HG21  VAL  48          HG21      VAL  48   3.491   9.213   8.745
  354   HG22  VAL  48          HG22      VAL  48   4.593   8.870   7.410
  355   HG23  VAL  48          HG23      VAL  48   4.488   7.759   8.776
  356    H    ALA  49           HN       ALA  49   1.916   4.638   6.841
  357    HA   ALA  49           HA       ALA  49   3.262   3.336   9.065
  358    HB1  ALA  49           HB1      ALA  49   0.886   2.372   7.454
  359    HB2  ALA  49           HB2      ALA  49   0.805   3.318   8.930
  360    HB3  ALA  49           HB3      ALA  49   1.456   1.679   8.972
  361    H    ALA  50           HN       ALA  50   2.616   2.555   5.662
  362    HA   ALA  50           HA       ALA  50   4.070   0.154   5.553
  363    HB1  ALA  50           HB1      ALA  50   2.458   0.824   3.831
  364    HB2  ALA  50           HB2      ALA  50   4.037   0.467   3.129
  365    HB3  ALA  50           HB3      ALA  50   3.526   2.140   3.345
  366    H    GLU  51           HN       GLU  51   4.981   3.508   5.024
  367    HA   GLU  51           HA       GLU  51   7.524   3.161   4.085
  368    HB2  GLU  51           HB2      GLU  51   6.535   5.250   5.962
  369    HB3  GLU  51           HB1      GLU  51   7.998   5.376   5.049
  370    HG2  GLU  51           HG2      GLU  51   6.730   5.506   2.978
  371    HG3  GLU  51           HG1      GLU  51   5.231   5.279   3.869
  372    H    GLU  52           HN       GLU  52   6.237   3.307   7.279
  373    HA   GLU  52           HA       GLU  52   8.748   3.445   8.646
  374    HB2  GLU  52           HB2      GLU  52   6.726   4.350   9.661
  375    HB3  GLU  52           HB1      GLU  52   5.989   2.757   9.675
  376    HG2  GLU  52           HG2      GLU  52   7.649   1.984  11.257
  377    HG3  GLU  52           HG1      GLU  52   8.437   3.563  11.237
  378    H    ARG  53           HN       ARG  53   6.536   0.899   7.805
  379    HA   ARG  53           HA       ARG  53   7.992  -1.019   9.360
  380    HB2  ARG  53           HB2      ARG  53   6.361  -2.595   8.626
  381    HB3  ARG  53           HB1      ARG  53   5.566  -1.120   9.209
  382    HG2  ARG  53           HG2      ARG  53   5.249  -0.466   6.873
  383    HG3  ARG  53           HG1      ARG  53   5.966  -1.999   6.370
  384    HD2  ARG  53           HD2      ARG  53   3.448  -1.613   7.975
  385    HD3  ARG  53           HD1      ARG  53   3.618  -2.126   6.290
  386    HE   ARG  53           HE       ARG  53   4.893  -4.106   7.317
  387   HH11  ARG  53          HH11      ARG  53   2.335  -2.459   9.142
  388   HH12  ARG  53          HH12      ARG  53   1.691  -3.925   9.736
  389   HH21  ARG  53          HH21      ARG  53   3.934  -6.077   8.103
  390   HH22  ARG  53          HH22      ARG  53   2.548  -5.996   9.105
  391    H    PHE  54           HN       PHE  54   7.803  -0.088   5.983
  392    HA   PHE  54           HA       PHE  54   9.380  -2.424   5.330
  393    HB2  PHE  54           HB2      PHE  54   7.989  -0.462   3.509
  394    HB3  PHE  54           HB1      PHE  54   8.934  -1.849   2.982
  395    HD1  PHE  54           HD1      PHE  54   8.147  -4.040   4.579
  396    HD2  PHE  54           HD2      PHE  54   5.744  -0.832   3.165
  397    HE1  PHE  54           HE1      PHE  54   6.159  -5.481   4.695
  398    HE2  PHE  54           HE2      PHE  54   3.754  -2.267   3.278
  399    HZ   PHE  54           HZ       PHE  54   3.945  -4.558   4.172
  400    H    ASP  55           HN       ASP  55   9.925   0.712   6.216
  401    HA   ASP  55           HA       ASP  55  11.820   1.931   6.430
  402    HB2  ASP  55           HB2      ASP  55  12.945  -0.088   7.106
  403    HB3  ASP  55           HB1      ASP  55  13.054  -0.654   5.456
  404    H    VAL  56           HN       VAL  56  10.476   1.295   3.583
  405    HA   VAL  56           HA       VAL  56  12.691   2.289   1.977
  406    HB   VAL  56           HB       VAL  56  11.649   0.258   1.184
  407   HG11  VAL  56          HG11      VAL  56   9.396   0.241   0.261
  408   HG12  VAL  56          HG12      VAL  56   9.113   1.838   0.966
  409   HG13  VAL  56          HG13      VAL  56   9.436   0.450   2.014
  410   HG21  VAL  56          HG21      VAL  56  12.601   1.732  -0.468
  411   HG22  VAL  56          HG22      VAL  56  11.058   2.581  -0.628
  412   HG23  VAL  56          HG23      VAL  56  11.198   0.891  -1.121
  413    H    LYS  57           HN       LYS  57   9.566   3.161   3.009
  414    HA   LYS  57           HA       LYS  57   8.281   4.931   2.838
  415    HB2  LYS  57           HB2      LYS  57   9.897   6.354   3.786
  416    HB3  LYS  57           HB1      LYS  57  10.882   6.361   2.325
  417    HG2  LYS  57           HG2      LYS  57   9.316   7.743   1.178
  418    HG3  LYS  57           HG1      LYS  57   8.127   7.549   2.453
  419    HD2  LYS  57           HD2      LYS  57  10.772   8.881   2.941
  420    HD3  LYS  57           HD1      LYS  57   9.395   9.768   2.289
  421    HE2  LYS  57           HE2      LYS  57   9.307  10.154   4.628
  422    HE3  LYS  57           HE1      LYS  57   8.105   8.910   4.300
  423    HZ1  LYS  57           HZ1      LYS  57   9.501   8.568   6.280
  424    HZ2  LYS  57           HZ2      LYS  57  10.827   8.279   5.262
  425    HZ3  LYS  57           HZ3      LYS  57   9.482   7.257   5.234
  426    H    ILE  58           HN       ILE  58   6.725   5.048   1.470
  427    HA   ILE  58           HA       ILE  58   7.309   5.806  -1.298
  428    HB   ILE  58           HB       ILE  58   4.778   4.289  -0.541
  429   HG12  ILE  58          HG12      ILE  58   5.951   2.264  -1.685
  430   HG13  ILE  58          HG11      ILE  58   7.441   3.124  -1.287
  431   HG21  ILE  58          HG21      ILE  58   6.139   4.761  -3.165
  432   HG22  ILE  58          HG22      ILE  58   4.653   5.509  -2.572
  433   HG23  ILE  58          HG23      ILE  58   4.686   3.804  -2.919
  434   HD11  ILE  58          HD11      ILE  58   6.894   3.051   1.070
  435   HD12  ILE  58          HD12      ILE  58   6.947   1.429   0.378
  436   HD13  ILE  58          HD13      ILE  58   5.391   2.197   0.711
  437    HA   PRO  59           HA       PRO  59   5.103   9.208   0.803
  438    HB2  PRO  59           HB2      PRO  59   5.570  10.415  -1.868
  439    HB3  PRO  59           HB1      PRO  59   5.949  11.063  -0.269
  440    HG2  PRO  59           HG2      PRO  59   7.866  10.139  -1.902
  441    HG3  PRO  59           HG1      PRO  59   7.954   9.933  -0.143
  442    HD2  PRO  59           HD2      PRO  59   7.307   7.882  -2.237
  443    HD3  PRO  59           HD1      PRO  59   8.130   7.730  -0.682
  444    H    ASP  60           HN       ASP  60   2.904   9.812   0.613
  445    HA   ASP  60           HA       ASP  60   1.211   8.338  -0.995
  446    HB2  ASP  60           HB2      ASP  60  -0.624   9.818  -0.328
  447    HB3  ASP  60           HB1      ASP  60   0.413   9.505   1.043
  448    H    ASP  61           HN       ASP  61   2.943  11.140  -1.903
  449    HA   ASP  61           HA       ASP  61   1.381  11.736  -4.281
  450    HB2  ASP  61           HB2      ASP  61   2.690  13.514  -3.197
  451    HB3  ASP  61           HB1      ASP  61   4.173  12.606  -3.466
  452    H    ASP  62           HN       ASP  62   3.867   9.657  -3.459
  453    HA   ASP  62           HA       ASP  62   4.561   9.078  -6.254
  454    HB2  ASP  62           HB2      ASP  62   5.850   8.287  -3.675
  455    HB3  ASP  62           HB1      ASP  62   6.093   7.279  -5.098
  456    H    VAL  63           HN       VAL  63   3.086   7.688  -3.502
  457    HA   VAL  63           HA       VAL  63   2.723   5.077  -4.395
  458    HB   VAL  63           HB       VAL  63   2.382   6.257  -2.070
  459   HG11  VAL  63          HG11      VAL  63  -0.444   6.190  -3.034
  460   HG12  VAL  63          HG12      VAL  63   0.498   7.598  -2.543
  461   HG13  VAL  63          HG13      VAL  63   0.055   6.377  -1.355
  462   HG21  VAL  63          HG21      VAL  63   0.872   3.824  -2.932
  463   HG22  VAL  63          HG22      VAL  63   1.209   4.276  -1.258
  464   HG23  VAL  63          HG23      VAL  63   2.536   3.899  -2.357
  465    H    LYS  64           HN       LYS  64   1.003   7.908  -5.277
  466    HA   LYS  64           HA       LYS  64  -1.299   6.834  -6.325
  467    HB2  LYS  64           HB2      LYS  64  -1.431   8.748  -7.842
  468    HB3  LYS  64           HB1      LYS  64  -0.893   9.258  -6.237
  469    HG2  LYS  64           HG2      LYS  64   1.365   9.420  -7.018
  470    HG3  LYS  64           HG1      LYS  64   0.897   8.787  -8.593
  471    HD2  LYS  64           HD2      LYS  64   1.175  11.198  -8.621
  472    HD3  LYS  64           HD1      LYS  64  -0.497  10.729  -8.983
  473    HE2  LYS  64           HE2      LYS  64  -1.127  11.288  -6.673
  474    HE3  LYS  64           HE1      LYS  64   0.547  11.716  -6.315
  475    HZ1  LYS  64           HZ1      LYS  64  -0.814  13.700  -6.801
  476    HZ2  LYS  64           HZ2      LYS  64  -1.168  13.081  -8.328
  477    HZ3  LYS  64           HZ3      LYS  64   0.405  13.485  -7.938
  478    H    ASN  65           HN       ASN  65   1.827   6.617  -7.557
  479    HA   ASN  65           HA       ASN  65   0.979   5.788 -10.169
  480    HB2  ASN  65           HB2      ASN  65   3.670   5.382  -8.854
  481    HB3  ASN  65           HB1      ASN  65   3.207   5.143 -10.539
  482   HD21  ASN  65          HD21      ASN  65   3.983   7.453  -8.095
  483   HD22  ASN  65          HD22      ASN  65   4.168   8.821  -9.132
  484    H    LEU  66           HN       LEU  66   0.998   4.390  -7.161
  485    HA   LEU  66           HA       LEU  66   1.429   1.637  -8.082
  486    HB2  LEU  66           HB2      LEU  66   1.263   2.725  -5.316
  487    HB3  LEU  66           HB1      LEU  66   1.731   1.108  -5.806
  488    HG   LEU  66           HG       LEU  66   3.211   3.641  -6.405
  489   HD11  LEU  66          HD11      LEU  66   3.780   1.497  -4.358
  490   HD12  LEU  66          HD12      LEU  66   3.203   3.123  -4.037
  491   HD13  LEU  66          HD13      LEU  66   4.822   2.882  -4.697
  492   HD21  LEU  66          HD21      LEU  66   3.647   1.935  -8.059
  493   HD22  LEU  66          HD22      LEU  66   4.043   0.780  -6.779
  494   HD23  LEU  66          HD23      LEU  66   5.070   2.192  -7.047
  495    H    LYS  67           HN       LYS  67  -0.938   3.138  -8.484
  496    HA   LYS  67           HA       LYS  67  -3.272   2.941  -7.352
  497    HB2  LYS  67           HB2      LYS  67  -4.235   1.935  -9.425
  498    HB3  LYS  67           HB1      LYS  67  -3.141   3.295  -9.673
  499    HG2  LYS  67           HG2      LYS  67  -1.319   1.731 -10.185
  500    HG3  LYS  67           HG1      LYS  67  -2.431   0.382  -9.978
  501    HD2  LYS  67           HD2      LYS  67  -3.740   1.123 -11.824
  502    HD3  LYS  67           HD1      LYS  67  -2.764   2.589 -11.988
  503    HE2  LYS  67           HE2      LYS  67  -1.803  -0.249 -12.353
  504    HE3  LYS  67           HE1      LYS  67  -2.106   0.917 -13.642
  505    HZ1  LYS  67           HZ1      LYS  67   0.226   0.850 -13.203
  506    HZ2  LYS  67           HZ2      LYS  67   0.031   1.045 -11.560
  507    HZ3  LYS  67           HZ3      LYS  67  -0.329   2.331 -12.618
  508    H    THR  68           HN       THR  68  -1.520  -0.116  -7.983
  509    HA   THR  68           HA       THR  68  -3.739  -1.473  -6.685
  510    HB   THR  68           HB       THR  68  -2.932  -3.567  -7.553
  511    HG1  THR  68           HG1      THR  68  -1.340  -2.547  -9.566
  512   HG21  THR  68          HG21      THR  68  -3.588  -3.255  -9.907
  513   HG22  THR  68          HG22      THR  68  -3.414  -1.507  -9.692
  514   HG23  THR  68          HG23      THR  68  -4.643  -2.391  -8.785
  515    H    VAL  69           HN       VAL  69  -3.036  -3.552  -5.521
  516    HA   VAL  69           HA       VAL  69  -1.299  -2.735  -3.422
  517    HB   VAL  69           HB       VAL  69  -2.120  -5.555  -4.088
  518   HG11  VAL  69          HG11      VAL  69  -0.334  -5.201  -2.505
  519   HG12  VAL  69          HG12      VAL  69  -1.771  -5.888  -1.686
  520   HG13  VAL  69          HG13      VAL  69  -1.374  -4.162  -1.543
  521   HG21  VAL  69          HG21      VAL  69  -4.018  -5.243  -2.568
  522   HG22  VAL  69          HG22      VAL  69  -4.131  -4.164  -3.959
  523   HG23  VAL  69          HG23      VAL  69  -3.603  -3.539  -2.397
  524    H    GLY  70           HN       GLY  70  -0.967  -4.803  -6.206
  525    HA2  GLY  70           HA2      GLY  70   1.634  -5.752  -5.519
  526    HA3  GLY  70           HA1      GLY  70   0.763  -6.024  -7.019
  527    H    ASP  71           HN       ASP  71   0.379  -3.065  -7.308
  528    HA   ASP  71           HA       ASP  71   2.719  -2.469  -8.799
  529    HB2  ASP  71           HB2      ASP  71   0.250  -1.369  -8.712
  530    HB3  ASP  71           HB1      ASP  71   1.069  -0.331  -7.580
  531    H    ALA  72           HN       ALA  72   1.391  -1.509  -5.713
  532    HA   ALA  72           HA       ALA  72   3.540   0.072  -4.723
  533    HB1  ALA  72           HB1      ALA  72   2.520  -0.278  -2.558
  534    HB2  ALA  72           HB2      ALA  72   1.528  -1.577  -3.215
  535    HB3  ALA  72           HB3      ALA  72   1.283   0.081  -3.761
  536    H    THR  73           HN       THR  73   2.619  -3.237  -4.136
  537    HA   THR  73           HA       THR  73   4.706  -4.022  -2.536
  538    HB   THR  73           HB       THR  73   3.139  -5.636  -4.559
  539    HG1  THR  73           HG1      THR  73   1.825  -4.705  -2.988
  540   HG21  THR  73          HG21      THR  73   5.172  -6.826  -3.863
  541   HG22  THR  73          HG22      THR  73   3.714  -7.576  -3.195
  542   HG23  THR  73          HG23      THR  73   4.734  -6.559  -2.172
  543    H    LYS  74           HN       LYS  74   4.600  -3.738  -6.051
  544    HA   LYS  74           HA       LYS  74   6.935  -5.226  -6.609
  545    HB2  LYS  74           HB2      LYS  74   4.942  -4.297  -8.120
  546    HB3  LYS  74           HB1      LYS  74   6.050  -2.953  -8.328
  547    HG2  LYS  74           HG2      LYS  74   6.295  -4.489 -10.152
  548    HG3  LYS  74           HG1      LYS  74   7.753  -4.537  -9.157
  549    HD2  LYS  74           HD2      LYS  74   7.056  -6.801  -9.800
  550    HD3  LYS  74           HD1      LYS  74   6.955  -6.560  -8.057
  551    HE2  LYS  74           HE2      LYS  74   4.989  -7.774  -8.825
  552    HE3  LYS  74           HE1      LYS  74   4.521  -6.174  -8.268
  553    HZ1  LYS  74           HZ1      LYS  74   4.863  -6.960 -11.127
  554    HZ2  LYS  74           HZ2      LYS  74   4.344  -5.445 -10.564
  555    HZ3  LYS  74           HZ3      LYS  74   3.415  -6.810 -10.301
  556    H    TYR  75           HN       TYR  75   6.213  -1.757  -6.361
  557    HA   TYR  75           HA       TYR  75   8.771  -0.749  -6.700
  558    HB2  TYR  75           HB2      TYR  75   6.740   0.558  -6.905
  559    HB3  TYR  75           HB1      TYR  75   6.354   0.278  -5.216
  560    HD1  TYR  75           HD1      TYR  75   8.769   1.940  -7.491
  561    HD2  TYR  75           HD2      TYR  75   7.186   1.686  -3.568
  562    HE1  TYR  75           HE1      TYR  75   9.926   3.983  -6.920
  563    HE2  TYR  75           HE2      TYR  75   8.345   3.741  -2.958
  564    HH   TYR  75           HH       TYR  75  10.339   4.986  -3.716
  565    H    ILE  76           HN       ILE  76   6.951  -1.550  -3.807
  566    HA   ILE  76           HA       ILE  76   8.827  -0.678  -1.929
  567    HB   ILE  76           HB       ILE  76   6.590  -2.715  -1.638
  568   HG12  ILE  76          HG12      ILE  76   6.702   0.223  -0.924
  569   HG13  ILE  76          HG11      ILE  76   5.910  -0.450  -2.339
  570   HG21  ILE  76          HG21      ILE  76   8.219  -2.990   0.163
  571   HG22  ILE  76          HG22      ILE  76   6.710  -2.318   0.759
  572   HG23  ILE  76          HG23      ILE  76   8.109  -1.272   0.549
  573   HD11  ILE  76          HD11      ILE  76   5.158  -0.979   0.528
  574   HD12  ILE  76          HD12      ILE  76   4.355  -1.654  -0.893
  575   HD13  ILE  76          HD13      ILE  76   4.313   0.083  -0.600
  576    H    LEU  77           HN       LEU  77   8.224  -3.925  -3.291
  577    HA   LEU  77           HA       LEU  77  10.045  -5.312  -1.674
  578    HB2  LEU  77           HB2      LEU  77   8.117  -6.172  -3.010
  579    HB3  LEU  77           HB1      LEU  77   9.121  -6.094  -4.446
  580    HG   LEU  77           HG       LEU  77   9.668  -7.814  -2.018
  581   HD11  LEU  77          HD11      LEU  77   8.868  -9.674  -3.432
  582   HD12  LEU  77          HD12      LEU  77   8.439  -8.513  -4.689
  583   HD13  LEU  77          HD13      LEU  77   7.605  -8.481  -3.134
  584   HD21  LEU  77          HD21      LEU  77  11.678  -7.350  -3.341
  585   HD22  LEU  77          HD22      LEU  77  10.844  -7.890  -4.799
  586   HD23  LEU  77          HD23      LEU  77  11.192  -9.037  -3.510
  587    H    ASP  78           HN       ASP  78  10.195  -3.905  -4.920
  588    HA   ASP  78           HA       ASP  78  12.804  -4.764  -5.601
  589    HB2  ASP  78           HB2      ASP  78  11.231  -4.128  -7.308
  590    HB3  ASP  78           HB1      ASP  78  11.101  -2.506  -6.651
  591    H    HIS  79           HN       HIS  79  11.606  -2.042  -3.823
  592    HA   HIS  79           HA       HIS  79  14.245  -0.839  -3.795
  593    HB2  HIS  79           HB2      HIS  79  11.532   0.211  -3.173
  594    HB3  HIS  79           HB1      HIS  79  12.944   0.990  -2.477
  595    HD1  HIS  79           HD1      HIS  79  14.359   2.420  -4.008
  596    HD2  HIS  79           HD2      HIS  79  11.315   0.423  -6.000
  597    HE1  HIS  79           HE1      HIS  79  14.267   3.440  -6.298
  598    HE2  HIS  79           HE2      HIS  79  12.219   2.470  -7.318
  599    H    GLN  80           HN       GLN  80  12.995  -3.193  -2.070
  600    HA   GLN  80           HA       GLN  80  13.085  -2.539   0.623
  601    HB2  GLN  80           HB2      GLN  80  13.786  -5.069  -0.833
  602    HB3  GLN  80           HB1      GLN  80  13.834  -4.973   0.926
  603    HG2  GLN  80           HG2      GLN  80  11.422  -4.285  -0.705
  604    HG3  GLN  80           HG1      GLN  80  11.753  -5.912  -0.115
  605   HE21  GLN  80          HE21      GLN  80   9.668  -3.879   0.460
  606   HE22  GLN  80          HE22      GLN  80   9.621  -3.835   2.185
  607    H    ALA  81           HN       ALA  81  14.600  -1.690   1.810
  608    HA   ALA  81           HA       ALA  81  16.501  -1.071   2.729
  609    HB1  ALA  81           HB1      ALA  81  17.657  -3.627   1.590
  610    HB2  ALA  81           HB2      ALA  81  16.823  -3.487   3.140
  611    HB3  ALA  81           HB3      ALA  81  18.356  -2.655   2.885
  612    H28  SXH 101          H28B      SXH 101  -6.107   9.495  -2.584
  613   H28A  SXH 101          H28A      SXH 101  -6.324   9.107  -0.879
  614    H30  SXH 101          H30C      SXH 101  -5.822  12.330  -2.586
  615   H30A  SXH 101          H30A      SXH 101  -4.666  11.195  -3.276
  616   H30B  SXH 101          H30B      SXH 101  -4.104  12.473  -2.192
  617    H31  SXH 101          H31A      SXH 101  -4.656  12.331   0.256
  618   H31A  SXH 101          H31C      SXH 101  -6.361  12.259  -0.198
  619   H31B  SXH 101          H31B      SXH 101  -5.666  11.004   0.832
  620    H32  SXH 101          H32A      SXH 101  -2.944  10.696  -0.737
  621   HO33  SXH 101          H33A      SXH 101  -4.178   8.339  -0.286
  622   HN36  SXH 101          H36A      SXH 101  -2.464  10.505  -3.004
  623    H37  SXH 101          H37A      SXH 101  -1.482   9.263  -4.568
  624   H37A  SXH 101          H37B      SXH 101  -2.189   7.775  -3.924
  625    H38  SXH 101          H38A      SXH 101  -3.744   9.986  -5.354
  626   H38A  SXH 101          H38B      SXH 101  -2.975   8.691  -6.231
  627   HN41  SXH 101          H41A      SXH 101  -3.543   6.681  -4.231
  628    H42  SXH 101          H42A      SXH 101  -6.104   6.341  -3.511
  629   H42A  SXH 101          H42B      SXH 101  -6.009   5.688  -5.162
  630    H43  SXH 101          H43A      SXH 101  -5.603   3.989  -3.255
  631   H43A  SXH 101          H43B      SXH 101  -4.117   4.966  -2.914
  632    H2   SXH 101           H2A      SXH 101  -0.681   3.791  -3.097
  633    H2A  SXH 101           H2B      SXH 101  -0.755   3.178  -4.728
  634    H3   SXH 101           H3A      SXH 101  -2.200   1.511  -4.278
  635    H3A  SXH 101           H3B      SXH 101  -2.732   2.186  -2.720
  636    H4   SXH 101           H4B      SXH 101  -1.224   0.202  -2.523
  637    H4A  SXH 101           H4A      SXH 101   0.038   1.129  -3.335
  638    H5   SXH 101           H5A      SXH 101  -1.280   1.870  -0.717
  639    H5A  SXH 101           H5B      SXH 101   0.025   2.760  -1.516
  640    H6   SXH 101           H6C      SXH 101   1.471   0.827  -1.302
  641    H6A  SXH 101           H6A      SXH 101   0.173  -0.060  -0.503
  642    H6B  SXH 101           H6B      SXH 101   0.873   1.366   0.267
  Start of MODEL   13
    1    H1   ALA   1           HT1      ALA   1  14.748  -6.543   4.773
    2    H2   ALA   1           HT2      ALA   1  13.991  -7.976   5.340
    3    H3   ALA   1           HT3      ALA   1  13.167  -6.517   5.338
    4    HA   ALA   1           HA       ALA   1  13.095  -6.337   3.054
    5    HB1  ALA   1           HB1      ALA   1  14.547  -8.969   2.937
    6    HB2  ALA   1           HB2      ALA   1  15.234  -7.390   2.541
    7    HB3  ALA   1           HB3      ALA   1  13.920  -8.048   1.568
    8    H    ALA   2           HN       ALA   2  11.021  -6.464   3.088
    9    HA   ALA   2           HA       ALA   2   9.571  -8.808   3.907
   10    HB1  ALA   2           HB1      ALA   2   8.645  -6.263   2.557
   11    HB2  ALA   2           HB2      ALA   2   8.660  -6.561   4.294
   12    HB3  ALA   2           HB3      ALA   2   7.592  -7.497   3.247
   13    H    THR   3           HN       THR   3   7.774  -9.592   2.213
   14    HA   THR   3           HA       THR   3   9.172 -10.079  -0.282
   15    HB   THR   3           HB       THR   3   7.837 -12.228  -0.203
   16    HG1  THR   3           HG1      THR   3   7.451 -12.631   2.272
   17   HG21  THR   3          HG21      THR   3   9.844 -11.789   2.023
   18   HG22  THR   3          HG22      THR   3  10.242 -12.173   0.348
   19   HG23  THR   3          HG23      THR   3   9.387 -13.351   1.342
   20    H    GLN   4           HN       GLN   4   7.081 -11.224  -1.595
   21    HA   GLN   4           HA       GLN   4   5.466  -9.036  -2.253
   22    HB2  GLN   4           HB2      GLN   4   5.963 -10.857  -3.839
   23    HB3  GLN   4           HB1      GLN   4   5.115 -12.004  -2.828
   24    HG2  GLN   4           HG2      GLN   4   3.664  -9.676  -4.066
   25    HG3  GLN   4           HG1      GLN   4   4.013 -11.126  -4.999
   26   HE21  GLN   4          HE21      GLN   4   2.172  -9.770  -2.422
   27   HE22  GLN   4          HE22      GLN   4   1.073 -11.058  -2.177
   28    H    GLU   5           HN       GLU   5   4.794 -11.963  -0.391
   29    HA   GLU   5           HA       GLU   5   2.166 -11.316   0.320
   30    HB2  GLU   5           HB2      GLU   5   3.228 -13.559   0.429
   31    HB3  GLU   5           HB1      GLU   5   4.128 -13.016   1.836
   32    HG2  GLU   5           HG2      GLU   5   1.990 -12.598   2.989
   33    HG3  GLU   5           HG1      GLU   5   1.161 -13.265   1.580
   34    H    GLU   6           HN       GLU   6   5.236 -10.720   1.927
   35    HA   GLU   6           HA       GLU   6   4.070  -9.763   4.331
   36    HB2  GLU   6           HB2      GLU   6   6.841  -9.321   3.277
   37    HB3  GLU   6           HB1      GLU   6   6.290  -8.743   4.834
   38    HG2  GLU   6           HG2      GLU   6   6.259 -11.591   3.964
   39    HG3  GLU   6           HG1      GLU   6   7.510 -10.870   5.000
   40    H    ILE   7           HN       ILE   7   5.285  -7.955   1.479
   41    HA   ILE   7           HA       ILE   7   4.661  -5.434   2.480
   42    HB   ILE   7           HB       ILE   7   4.518  -6.485  -0.355
   43   HG12  ILE   7          HG12      ILE   7   6.702  -4.961   1.044
   44   HG13  ILE   7          HG11      ILE   7   6.678  -6.713   0.880
   45   HG21  ILE   7          HG21      ILE   7   4.668  -3.638   0.673
   46   HG22  ILE   7          HG22      ILE   7   3.266  -4.382  -0.093
   47   HG23  ILE   7          HG23      ILE   7   4.746  -4.127  -1.023
   48   HD11  ILE   7          HD11      ILE   7   6.719  -4.729  -1.354
   49   HD12  ILE   7          HD12      ILE   7   6.679  -6.482  -1.527
   50   HD13  ILE   7          HD13      ILE   7   8.077  -5.697  -0.786
   51    H    VAL   8           HN       VAL   8   2.790  -7.723   0.634
   52    HA   VAL   8           HA       VAL   8   0.447  -6.186   0.365
   53    HB   VAL   8           HB       VAL   8   0.787  -9.199   0.346
   54   HG11  VAL   8          HG11      VAL   8  -1.469  -9.332  -0.605
   55   HG12  VAL   8          HG12      VAL   8  -1.678  -7.595  -0.368
   56   HG13  VAL   8          HG13      VAL   8  -1.526  -8.664   1.026
   57   HG21  VAL   8          HG21      VAL   8   1.828  -7.995  -1.466
   58   HG22  VAL   8          HG22      VAL   8   0.328  -7.140  -1.795
   59   HG23  VAL   8          HG23      VAL   8   0.426  -8.887  -2.054
   60    H    ALA   9           HN       ALA   9   1.067  -8.743   2.792
   61    HA   ALA   9           HA       ALA   9  -1.322  -8.285   4.220
   62    HB1  ALA   9           HB1      ALA   9  -0.350  -9.669   5.961
   63    HB2  ALA   9           HB2      ALA   9   1.247  -9.505   5.225
   64    HB3  ALA   9           HB3      ALA   9  -0.036 -10.365   4.374
   65    H    GLY  10           HN       GLY  10   1.670  -6.600   4.222
   66    HA2  GLY  10           HA2      GLY  10   1.443  -5.480   6.841
   67    HA3  GLY  10           HA1      GLY  10   2.605  -5.035   5.590
   68    H    LEU  11           HN       LEU  11   0.891  -4.474   3.525
   69    HA   LEU  11           HA       LEU  11  -0.082  -1.855   4.193
   70    HB2  LEU  11           HB2      LEU  11  -0.758  -3.589   1.807
   71    HB3  LEU  11           HB1      LEU  11  -0.991  -1.862   1.935
   72    HG   LEU  11           HG       LEU  11   1.665  -3.277   1.822
   73   HD11  LEU  11          HD11      LEU  11   0.227  -1.606  -0.229
   74   HD12  LEU  11          HD12      LEU  11   0.463  -3.352  -0.288
   75   HD13  LEU  11          HD13      LEU  11   1.852  -2.273  -0.387
   76   HD21  LEU  11          HD21      LEU  11   2.602  -1.030   1.611
   77   HD22  LEU  11          HD22      LEU  11   1.772  -1.244   3.153
   78   HD23  LEU  11          HD23      LEU  11   0.997  -0.338   1.852
   79    H    ALA  12           HN       ALA  12  -1.510  -4.981   3.531
   80    HA   ALA  12           HA       ALA  12  -4.159  -4.330   3.608
   81    HB1  ALA  12           HB1      ALA  12  -4.629  -6.581   4.090
   82    HB2  ALA  12           HB2      ALA  12  -2.957  -6.879   4.602
   83    HB3  ALA  12           HB3      ALA  12  -3.322  -6.476   2.908
   84    H    GLU  13           HN       GLU  13  -2.176  -5.445   6.392
   85    HA   GLU  13           HA       GLU  13  -4.274  -5.381   8.216
   86    HB2  GLU  13           HB2      GLU  13  -2.566  -5.236  10.000
   87    HB3  GLU  13           HB1      GLU  13  -2.221  -6.485   8.812
   88    HG2  GLU  13           HG2      GLU  13  -0.567  -5.116   7.775
   89    HG3  GLU  13           HG1      GLU  13  -0.975  -3.754   8.807
   90    H    ILE  14           HN       ILE  14  -2.372  -2.818   7.043
   91    HA   ILE  14           HA       ILE  14  -3.329  -0.892   8.963
   92    HB   ILE  14           HB       ILE  14  -2.045  -0.413   6.235
   93   HG12  ILE  14          HG12      ILE  14  -0.728  -0.489   8.956
   94   HG13  ILE  14          HG11      ILE  14  -0.758  -1.865   7.862
   95   HG21  ILE  14          HG21      ILE  14  -3.194   1.545   7.228
   96   HG22  ILE  14          HG22      ILE  14  -1.441   1.764   7.255
   97   HG23  ILE  14          HG23      ILE  14  -2.300   1.306   8.728
   98   HD11  ILE  14          HD11      ILE  14   0.498   0.814   7.301
   99   HD12  ILE  14          HD12      ILE  14   0.432  -0.581   6.210
  100   HD13  ILE  14          HD13      ILE  14   1.334  -0.692   7.717
  101    H    VAL  15           HN       VAL  15  -3.971  -1.492   5.515
  102    HA   VAL  15           HA       VAL  15  -6.082   0.198   4.976
  103    HB   VAL  15           HB       VAL  15  -5.721  -2.626   3.937
  104   HG11  VAL  15          HG11      VAL  15  -6.885  -1.814   1.943
  105   HG12  VAL  15          HG12      VAL  15  -7.122  -0.248   2.717
  106   HG13  VAL  15          HG13      VAL  15  -7.905  -1.683   3.374
  107   HG21  VAL  15          HG21      VAL  15  -3.724  -1.244   3.730
  108   HG22  VAL  15          HG22      VAL  15  -4.655  -0.054   2.801
  109   HG23  VAL  15          HG23      VAL  15  -4.438  -1.718   2.205
  110    H    ASN  16           HN       ASN  16  -6.080  -2.977   6.470
  111    HA   ASN  16           HA       ASN  16  -8.727  -3.701   6.676
  112    HB2  ASN  16           HB2      ASN  16  -6.456  -4.081   8.603
  113    HB3  ASN  16           HB1      ASN  16  -8.071  -4.545   9.068
  114   HD21  ASN  16          HD21      ASN  16  -6.768  -4.930   5.846
  115   HD22  ASN  16          HD22      ASN  16  -6.780  -6.647   5.938
  116    H    GLU  17           HN       GLU  17  -6.977  -1.405   8.676
  117    HA   GLU  17           HA       GLU  17  -9.156  -1.081  10.496
  118    HB2  GLU  17           HB2      GLU  17  -6.644   0.514  10.124
  119    HB3  GLU  17           HB1      GLU  17  -7.805   0.748  11.419
  120    HG2  GLU  17           HG2      GLU  17  -7.357  -1.525  12.194
  121    HG3  GLU  17           HG1      GLU  17  -6.153  -1.697  10.909
  122    H    ILE  18           HN       ILE  18  -7.573   1.090   8.185
  123    HA   ILE  18           HA       ILE  18  -9.441   3.193   8.766
  124    HB   ILE  18           HB       ILE  18  -7.722   3.149   6.322
  125   HG12  ILE  18          HG12      ILE  18  -6.687   3.882   9.070
  126   HG13  ILE  18          HG11      ILE  18  -6.331   2.340   8.275
  127   HG21  ILE  18          HG21      ILE  18  -9.177   5.060   6.660
  128   HG22  ILE  18          HG22      ILE  18  -7.488   5.532   6.926
  129   HG23  ILE  18          HG23      ILE  18  -8.552   5.269   8.303
  130   HD11  ILE  18          HD11      ILE  18  -5.273   3.544   6.473
  131   HD12  ILE  18          HD12      ILE  18  -4.544   3.996   8.023
  132   HD13  ILE  18          HD13      ILE  18  -5.701   5.067   7.219
  133    H    ALA  19           HN       ALA  19  -8.701   1.378   5.754
  134    HA   ALA  19           HA       ALA  19 -11.073   2.355   4.458
  135    HB1  ALA  19           HB1      ALA  19  -9.113   0.245   3.616
  136    HB2  ALA  19           HB2      ALA  19  -9.059   1.957   3.177
  137    HB3  ALA  19           HB3      ALA  19 -10.382   0.928   2.613
  138    H    GLY  20           HN       GLY  20 -10.084  -0.587   6.035
  139    HA2  GLY  20           HA2      GLY  20 -11.582  -2.065   7.057
  140    HA3  GLY  20           HA1      GLY  20 -12.863  -1.453   6.021
  141    H    ILE  21           HN       ILE  21 -10.033  -2.034   4.231
  142    HA   ILE  21           HA       ILE  21 -11.336  -4.218   2.933
  143    HB   ILE  21           HB       ILE  21  -8.602  -3.012   2.428
  144   HG12  ILE  21          HG12      ILE  21 -10.375  -1.442   2.031
  145   HG13  ILE  21          HG11      ILE  21  -9.753  -2.005   0.481
  146   HG21  ILE  21          HG21      ILE  21  -8.775  -5.345   1.649
  147   HG22  ILE  21          HG22      ILE  21  -8.660  -4.216   0.308
  148   HG23  ILE  21          HG23      ILE  21 -10.221  -4.928   0.729
  149   HD11  ILE  21          HD11      ILE  21 -11.594  -3.582   0.328
  150   HD12  ILE  21          HD12      ILE  21 -12.175  -1.906   0.437
  151   HD13  ILE  21          HD13      ILE  21 -12.230  -2.976   1.855
  152    HA   PRO  22           HA       PRO  22  -9.724  -7.259   5.759
  153    HB2  PRO  22           HB2      PRO  22 -10.332  -8.999   3.430
  154    HB3  PRO  22           HB1      PRO  22 -10.819  -9.166   5.121
  155    HG2  PRO  22           HG2      PRO  22 -12.581  -8.348   3.353
  156    HG3  PRO  22           HG1      PRO  22 -12.478  -7.551   4.937
  157    HD2  PRO  22           HD2      PRO  22 -11.434  -6.625   2.298
  158    HD3  PRO  22           HD1      PRO  22 -12.273  -5.709   3.570
  159    H    VAL  23           HN       VAL  23  -7.972  -8.634   5.962
  160    HA   VAL  23           HA       VAL  23  -5.728  -7.765   4.681
  161    HB   VAL  23           HB       VAL  23  -4.525  -9.887   5.596
  162   HG11  VAL  23          HG11      VAL  23  -4.433  -7.727   6.684
  163   HG12  VAL  23          HG12      VAL  23  -4.570  -9.024   7.873
  164   HG13  VAL  23          HG13      VAL  23  -5.980  -8.042   7.468
  165   HG21  VAL  23          HG21      VAL  23  -6.478 -11.320   5.780
  166   HG22  VAL  23          HG22      VAL  23  -7.217 -10.191   6.914
  167   HG23  VAL  23          HG23      VAL  23  -5.751 -11.065   7.369
  168    H    GLU  24           HN       GLU  24  -7.698 -10.593   4.011
  169    HA   GLU  24           HA       GLU  24  -5.884 -11.388   1.905
  170    HB2  GLU  24           HB2      GLU  24  -7.315 -13.422   1.656
  171    HB3  GLU  24           HB1      GLU  24  -6.571 -13.244   3.231
  172    HG2  GLU  24           HG2      GLU  24  -9.428 -12.477   2.655
  173    HG3  GLU  24           HG1      GLU  24  -8.945 -14.083   3.193
  174    H    ASP  25           HN       ASP  25  -8.265  -9.169   2.031
  175    HA   ASP  25           HA       ASP  25  -9.427  -9.876  -0.542
  176    HB2  ASP  25           HB2      ASP  25 -10.708  -8.627   1.341
  177    HB3  ASP  25           HB1      ASP  25  -9.744  -7.227   0.900
  178    H    VAL  26           HN       VAL  26  -7.191  -7.650   0.990
  179    HA   VAL  26           HA       VAL  26  -6.249  -6.245  -1.215
  180    HB   VAL  26           HB       VAL  26  -4.858  -7.128   1.346
  181   HG11  VAL  26          HG11      VAL  26  -4.048  -4.960  -0.585
  182   HG12  VAL  26          HG12      VAL  26  -3.204  -6.484  -0.300
  183   HG13  VAL  26          HG13      VAL  26  -3.308  -5.279   0.983
  184   HG21  VAL  26          HG21      VAL  26  -6.831  -5.782   1.779
  185   HG22  VAL  26          HG22      VAL  26  -6.241  -4.538   0.677
  186   HG23  VAL  26          HG23      VAL  26  -5.365  -4.883   2.169
  187    H    LYS  27           HN       LYS  27  -5.884  -7.557  -2.932
  188    HA   LYS  27           HA       LYS  27  -3.689  -9.487  -2.698
  189    HB2  LYS  27           HB2      LYS  27  -5.999  -9.433  -4.640
  190    HB3  LYS  27           HB1      LYS  27  -4.637 -10.545  -4.764
  191    HG2  LYS  27           HG2      LYS  27  -5.254 -11.481  -2.582
  192    HG3  LYS  27           HG1      LYS  27  -6.632 -10.381  -2.514
  193    HD2  LYS  27           HD2      LYS  27  -7.523 -11.389  -4.554
  194    HD3  LYS  27           HD1      LYS  27  -6.144 -12.490  -4.607
  195    HE2  LYS  27           HE2      LYS  27  -6.791 -13.383  -2.424
  196    HE3  LYS  27           HE1      LYS  27  -8.191 -12.315  -2.412
  197    HZ1  LYS  27           HZ1      LYS  27  -8.959 -13.418  -4.445
  198    HZ2  LYS  27           HZ2      LYS  27  -8.870 -14.459  -3.131
  199    HZ3  LYS  27           HZ3      LYS  27  -7.691 -14.527  -4.342
  200    H    LEU  28           HN       LEU  28  -2.414  -9.559  -4.828
  201    HA   LEU  28           HA       LEU  28  -1.356  -6.980  -5.013
  202    HB2  LEU  28           HB2      LEU  28   0.387  -7.866  -6.227
  203    HB3  LEU  28           HB1      LEU  28  -0.261  -9.279  -5.425
  204    HG   LEU  28           HG       LEU  28  -1.576  -9.544  -7.665
  205   HD11  LEU  28          HD11      LEU  28   0.875  -8.002  -8.537
  206   HD12  LEU  28          HD12      LEU  28  -0.783  -7.450  -8.637
  207   HD13  LEU  28          HD13      LEU  28  -0.253  -8.823  -9.630
  208   HD21  LEU  28          HD21      LEU  28  -0.024 -11.185  -6.746
  209   HD22  LEU  28          HD22      LEU  28   1.345 -10.249  -7.351
  210   HD23  LEU  28          HD23      LEU  28   0.231 -11.014  -8.483
  211    H    ASP  29           HN       ASP  29  -3.595  -8.548  -7.302
  212    HA   ASP  29           HA       ASP  29  -3.361  -6.160  -8.945
  213    HB2  ASP  29           HB2      ASP  29  -3.028  -8.329 -10.126
  214    HB3  ASP  29           HB1      ASP  29  -4.631  -8.814  -9.575
  215    H    LYS  30           HN       LYS  30  -4.371  -5.582  -6.807
  216    HA   LYS  30           HA       LYS  30  -7.176  -5.322  -7.315
  217    HB2  LYS  30           HB2      LYS  30  -5.926  -6.017  -4.646
  218    HB3  LYS  30           HB1      LYS  30  -7.589  -5.497  -4.869
  219    HG2  LYS  30           HG2      LYS  30  -6.388  -7.987  -6.076
  220    HG3  LYS  30           HG1      LYS  30  -7.355  -7.941  -4.602
  221    HD2  LYS  30           HD2      LYS  30  -9.270  -7.155  -5.828
  222    HD3  LYS  30           HD1      LYS  30  -8.308  -6.971  -7.287
  223    HE2  LYS  30           HE2      LYS  30  -8.774  -9.607  -5.903
  224    HE3  LYS  30           HE1      LYS  30  -9.734  -9.019  -7.258
  225    HZ1  LYS  30           HZ1      LYS  30  -8.003 -10.522  -8.009
  226    HZ2  LYS  30           HZ2      LYS  30  -6.785  -9.554  -7.367
  227    HZ3  LYS  30           HZ3      LYS  30  -7.744  -8.991  -8.622
  228    H    SER  31           HN       SER  31  -6.952  -3.446  -7.963
  229    HA   SER  31           HA       SER  31  -5.365  -1.373  -6.922
  230    HB2  SER  31           HB2      SER  31  -6.479  -1.255  -9.159
  231    HB3  SER  31           HB1      SER  31  -8.027  -1.084  -8.340
  232    HG   SER  31           HG       SER  31  -5.956   0.692  -7.672
  233    H    PHE  32           HN       PHE  32  -5.499  -0.502  -5.080
  234    HA   PHE  32           HA       PHE  32  -7.317  -1.000  -3.124
  235    HB2  PHE  32           HB2      PHE  32  -5.455   1.233  -3.556
  236    HB3  PHE  32           HB1      PHE  32  -6.564   1.307  -2.176
  237    HD1  PHE  32           HD1      PHE  32  -6.497  -0.512  -0.481
  238    HD2  PHE  32           HD2      PHE  32  -3.545  -0.145  -3.541
  239    HE1  PHE  32           HE1      PHE  32  -5.023  -1.946   0.782
  240    HE2  PHE  32           HE2      PHE  32  -2.067  -1.537  -2.311
  241    HZ   PHE  32           HZ       PHE  32  -2.761  -2.492  -0.104
  242    H    THR  33           HN       THR  33  -7.383   2.077  -5.085
  243    HA   THR  33           HA       THR  33  -9.959   2.766  -4.116
  244    HB   THR  33           HB       THR  33  -9.546   4.461  -6.131
  245    HG1  THR  33           HG1      THR  33  -7.353   4.743  -6.471
  246   HG21  THR  33          HG21      THR  33  -8.356   5.930  -4.547
  247   HG22  THR  33          HG22      THR  33  -8.044   4.547  -3.503
  248   HG23  THR  33          HG23      THR  33  -9.699   5.102  -3.758
  249    H    ASP  34           HN       ASP  34  -9.899   0.198  -5.630
  250    HA   ASP  34           HA       ASP  34 -12.136   0.789  -7.360
  251    HB2  ASP  34           HB2      ASP  34 -10.247   1.221  -8.906
  252    HB3  ASP  34           HB1      ASP  34  -9.666  -0.412  -8.620
  253    H    ASP  35           HN       ASP  35  -9.747  -1.746  -7.139
  254    HA   ASP  35           HA       ASP  35 -11.547  -3.918  -7.363
  255    HB2  ASP  35           HB2      ASP  35  -8.736  -3.500  -6.699
  256    HB3  ASP  35           HB1      ASP  35  -9.262  -5.096  -6.346
  257    H    LEU  36           HN       LEU  36  -9.905  -2.426  -4.714
  258    HA   LEU  36           HA       LEU  36 -11.066  -4.305  -2.845
  259    HB2  LEU  36           HB2      LEU  36  -9.229  -1.965  -2.369
  260    HB3  LEU  36           HB1      LEU  36  -9.677  -3.181  -1.182
  261    HG   LEU  36           HG       LEU  36  -8.074  -3.647  -3.697
  262   HD11  LEU  36          HD11      LEU  36  -7.292  -3.760  -0.802
  263   HD12  LEU  36          HD12      LEU  36  -6.830  -2.511  -1.958
  264   HD13  LEU  36          HD13      LEU  36  -6.266  -4.168  -2.176
  265   HD21  LEU  36          HD21      LEU  36  -7.802  -5.907  -2.861
  266   HD22  LEU  36          HD22      LEU  36  -9.494  -5.524  -3.191
  267   HD23  LEU  36          HD23      LEU  36  -8.903  -5.543  -1.532
  268    H    ASP  37           HN       ASP  37 -10.599  -0.997  -2.151
  269    HA   ASP  37           HA       ASP  37 -12.466   0.634  -2.554
  270    HB2  ASP  37           HB2      ASP  37 -14.374  -0.915  -2.043
  271    HB3  ASP  37           HB1      ASP  37 -13.815  -1.034  -0.376
  272    H    VAL  38           HN       VAL  38 -10.348   1.336  -1.882
  273    HA   VAL  38           HA       VAL  38 -10.193   1.795   0.980
  274    HB   VAL  38           HB       VAL  38  -8.148   1.204  -0.481
  275   HG11  VAL  38          HG11      VAL  38  -8.496   2.692  -2.318
  276   HG12  VAL  38          HG12      VAL  38  -6.959   3.054  -1.532
  277   HG13  VAL  38          HG13      VAL  38  -8.358   4.091  -1.254
  278   HG21  VAL  38          HG21      VAL  38  -7.868   1.931   1.794
  279   HG22  VAL  38          HG22      VAL  38  -7.977   3.618   1.299
  280   HG23  VAL  38          HG23      VAL  38  -6.609   2.634   0.780
  281    H    ASP  39           HN       ASP  39 -10.180   4.017   1.827
  282    HA   ASP  39           HA       ASP  39 -11.989   5.631   0.236
  283    HB2  ASP  39           HB2      ASP  39 -12.393   5.059   2.677
  284    HB3  ASP  39           HB1      ASP  39 -11.019   6.077   3.073
  285    H    SER  40           HN       SER  40  -9.047   5.213  -0.158
  286    HA   SER  40           HA       SER  40  -7.129   6.120  -0.614
  287    HB2  SER  40           HB2      SER  40  -7.165   8.127  -2.049
  288    HB3  SER  40           HB1      SER  40  -8.386   6.937  -2.486
  289    H    LEU  41           HN       LEU  41  -8.880   8.116   1.563
  290    HA   LEU  41           HA       LEU  41  -6.701   9.797   2.336
  291    HB2  LEU  41           HB2      LEU  41  -9.190   9.016   3.876
  292    HB3  LEU  41           HB1      LEU  41  -8.152  10.382   4.225
  293    HG   LEU  41           HG       LEU  41  -9.853  10.071   1.752
  294   HD11  LEU  41          HD11      LEU  41 -10.204  11.829   4.178
  295   HD12  LEU  41          HD12      LEU  41 -11.206  10.445   3.749
  296   HD13  LEU  41          HD13      LEU  41 -11.200  11.884   2.727
  297   HD21  LEU  41          HD21      LEU  41  -8.199  12.396   2.727
  298   HD22  LEU  41          HD22      LEU  41  -9.277  12.412   1.326
  299   HD23  LEU  41          HD23      LEU  41  -7.848  11.380   1.327
  300    H    SER  42           HN       SER  42  -7.844   6.637   2.934
  301    HA   SER  42           HA       SER  42  -6.726   5.911   5.343
  302    HB2  SER  42           HB2      SER  42  -6.930   4.255   2.860
  303    HB3  SER  42           HB1      SER  42  -7.101   3.695   4.515
  304    HG   SER  42           HG       SER  42  -8.978   5.453   4.309
  305    H    MET  43           HN       MET  43  -5.600   6.236   2.055
  306    HA   MET  43           HA       MET  43  -3.373   4.537   2.195
  307    HB2  MET  43           HB2      MET  43  -4.626   5.450   0.148
  308    HB3  MET  43           HB1      MET  43  -3.579   6.856   0.322
  309    HG2  MET  43           HG2      MET  43  -2.635   5.311  -1.243
  310    HG3  MET  43           HG1      MET  43  -1.634   5.389   0.217
  311    HE1  MET  43           HE1      MET  43  -4.295   3.377  -1.759
  312    HE2  MET  43           HE2      MET  43  -5.099   3.652  -0.221
  313    HE3  MET  43           HE3      MET  43  -4.622   2.015  -0.685
  314    H    VAL  44           HN       VAL  44  -3.885   7.869   2.935
  315    HA   VAL  44           HA       VAL  44  -1.203   8.561   2.881
  316    HB   VAL  44           HB       VAL  44  -3.515   9.887   4.328
  317   HG11  VAL  44          HG11      VAL  44  -2.117  11.905   4.368
  318   HG12  VAL  44          HG12      VAL  44  -0.770  10.986   3.692
  319   HG13  VAL  44          HG13      VAL  44  -1.383  10.599   5.299
  320   HG21  VAL  44          HG21      VAL  44  -3.807   9.715   1.886
  321   HG22  VAL  44          HG22      VAL  44  -2.244  10.435   1.628
  322   HG23  VAL  44          HG23      VAL  44  -3.533  11.389   2.354
  323    H    GLU  45           HN       GLU  45  -3.334   7.429   5.489
  324    HA   GLU  45           HA       GLU  45  -1.289   7.448   7.504
  325    HB2  GLU  45           HB2      GLU  45  -3.819   5.800   7.316
  326    HB3  GLU  45           HB1      GLU  45  -2.858   6.058   8.759
  327    HG2  GLU  45           HG2      GLU  45  -4.352   8.206   7.277
  328    HG3  GLU  45           HG1      GLU  45  -4.952   7.353   8.694
  329    H    VAL  46           HN       VAL  46  -2.691   5.113   5.273
  330    HA   VAL  46           HA       VAL  46  -1.496   2.812   6.156
  331    HB   VAL  46           HB       VAL  46  -2.391   3.480   3.317
  332   HG11  VAL  46          HG11      VAL  46  -1.653   0.794   4.466
  333   HG12  VAL  46          HG12      VAL  46  -0.765   1.648   3.185
  334   HG13  VAL  46          HG13      VAL  46  -2.421   1.068   2.910
  335   HG21  VAL  46          HG21      VAL  46  -4.197   3.420   4.943
  336   HG22  VAL  46          HG22      VAL  46  -3.652   1.842   5.506
  337   HG23  VAL  46          HG23      VAL  46  -4.289   2.016   3.872
  338    H    VAL  47           HN       VAL  47  -0.214   5.131   3.692
  339    HA   VAL  47           HA       VAL  47   1.990   3.339   3.265
  340    HB   VAL  47           HB       VAL  47   1.677   6.085   2.042
  341   HG11  VAL  47          HG11      VAL  47   3.877   5.071   1.863
  342   HG12  VAL  47          HG12      VAL  47   3.082   5.130   0.287
  343   HG13  VAL  47          HG13      VAL  47   3.159   3.612   1.184
  344   HG21  VAL  47          HG21      VAL  47   0.673   4.979   0.123
  345   HG22  VAL  47          HG22      VAL  47  -0.320   4.787   1.570
  346   HG23  VAL  47          HG23      VAL  47   0.677   3.450   0.998
  347    H    VAL  48           HN       VAL  48   1.474   6.345   5.015
  348    HA   VAL  48           HA       VAL  48   4.228   6.749   5.494
  349    HB   VAL  48           HB       VAL  48   1.802   7.588   7.138
  350   HG11  VAL  48          HG11      VAL  48   3.744   7.400   8.650
  351   HG12  VAL  48          HG12      VAL  48   3.308   9.091   8.385
  352   HG13  VAL  48          HG13      VAL  48   4.696   8.393   7.547
  353   HG21  VAL  48          HG21      VAL  48   2.044   8.636   4.974
  354   HG22  VAL  48          HG22      VAL  48   3.705   9.072   5.360
  355   HG23  VAL  48          HG23      VAL  48   2.370   9.809   6.256
  356    H    ALA  49           HN       ALA  49   1.843   4.769   6.955
  357    HA   ALA  49           HA       ALA  49   3.462   3.818   9.137
  358    HB1  ALA  49           HB1      ALA  49   1.007   2.609   7.830
  359    HB2  ALA  49           HB2      ALA  49   0.991   3.714   9.193
  360    HB3  ALA  49           HB3      ALA  49   1.692   2.099   9.373
  361    H    ALA  50           HN       ALA  50   2.657   2.750   5.910
  362    HA   ALA  50           HA       ALA  50   4.045   0.331   5.881
  363    HB1  ALA  50           HB1      ALA  50   3.973   0.487   3.449
  364    HB2  ALA  50           HB2      ALA  50   3.536   2.193   3.564
  365    HB3  ALA  50           HB3      ALA  50   2.428   0.956   4.160
  366    H    GLU  51           HN       GLU  51   5.106   3.601   5.150
  367    HA   GLU  51           HA       GLU  51   7.623   3.074   4.141
  368    HB2  GLU  51           HB2      GLU  51   6.834   5.359   5.893
  369    HB3  GLU  51           HB1      GLU  51   8.297   5.288   4.950
  370    HG2  GLU  51           HG2      GLU  51   7.026   5.297   2.904
  371    HG3  GLU  51           HG1      GLU  51   5.509   5.349   3.799
  372    H    GLU  52           HN       GLU  52   6.444   3.350   7.385
  373    HA   GLU  52           HA       GLU  52   9.010   3.425   8.630
  374    HB2  GLU  52           HB2      GLU  52   6.236   3.085   9.737
  375    HB3  GLU  52           HB1      GLU  52   7.658   3.230  10.751
  376    HG2  GLU  52           HG2      GLU  52   6.710   5.283   8.765
  377    HG3  GLU  52           HG1      GLU  52   6.450   5.344  10.508
  378    H    ARG  53           HN       ARG  53   6.676   0.986   7.912
  379    HA   ARG  53           HA       ARG  53   8.064  -0.981   9.517
  380    HB2  ARG  53           HB2      ARG  53   6.269  -2.491   8.905
  381    HB3  ARG  53           HB1      ARG  53   5.642  -0.933   9.455
  382    HG2  ARG  53           HG2      ARG  53   5.241  -0.275   7.179
  383    HG3  ARG  53           HG1      ARG  53   5.879  -1.821   6.614
  384    HD2  ARG  53           HD2      ARG  53   3.455  -1.412   8.354
  385    HD3  ARG  53           HD1      ARG  53   3.531  -1.823   6.627
  386    HE   ARG  53           HE       ARG  53   4.800  -3.849   7.428
  387   HH11  ARG  53          HH11      ARG  53   2.578  -2.358   9.739
  388   HH12  ARG  53          HH12      ARG  53   1.780  -3.807  10.129
  389   HH21  ARG  53          HH21      ARG  53   3.735  -5.864   8.017
  390   HH22  ARG  53          HH22      ARG  53   2.418  -5.813   9.117
  391    H    PHE  54           HN       PHE  54   7.696  -0.189   6.126
  392    HA   PHE  54           HA       PHE  54   9.176  -2.563   5.356
  393    HB2  PHE  54           HB2      PHE  54   7.895  -0.406   3.654
  394    HB3  PHE  54           HB1      PHE  54   8.746  -1.804   3.020
  395    HD1  PHE  54           HD1      PHE  54   7.900  -4.086   4.303
  396    HD2  PHE  54           HD2      PHE  54   5.625  -0.589   3.524
  397    HE1  PHE  54           HE1      PHE  54   5.841  -5.418   4.358
  398    HE2  PHE  54           HE2      PHE  54   3.560  -1.917   3.579
  399    HZ   PHE  54           HZ       PHE  54   3.673  -4.329   4.128
  400    H    ASP  55           HN       ASP  55   9.765   0.701   6.042
  401    HA   ASP  55           HA       ASP  55  11.570   2.007   6.063
  402    HB2  ASP  55           HB2      ASP  55  12.578  -0.035   7.162
  403    HB3  ASP  55           HB1      ASP  55  13.174  -0.534   5.590
  404    H    VAL  56           HN       VAL  56  10.301   0.987   3.466
  405    HA   VAL  56           HA       VAL  56  12.471   1.464   1.580
  406    HB   VAL  56           HB       VAL  56  10.954  -0.379   1.051
  407   HG11  VAL  56          HG11      VAL  56   8.606   0.147   0.338
  408   HG12  VAL  56          HG12      VAL  56   8.809   1.716   1.119
  409   HG13  VAL  56          HG13      VAL  56   8.927   0.237   2.070
  410   HG21  VAL  56          HG21      VAL  56  10.589   1.921  -0.855
  411   HG22  VAL  56          HG22      VAL  56  10.348   0.211  -1.236
  412   HG23  VAL  56          HG23      VAL  56  11.950   0.803  -0.805
  413    H    LYS  57           HN       LYS  57   9.583   2.894   2.705
  414    HA   LYS  57           HA       LYS  57   8.644   4.909   2.569
  415    HB2  LYS  57           HB2      LYS  57  11.433   5.635   2.018
  416    HB3  LYS  57           HB1      LYS  57  10.226   6.811   1.516
  417    HG2  LYS  57           HG2      LYS  57  10.754   7.447   3.684
  418    HG3  LYS  57           HG1      LYS  57   9.237   6.513   3.730
  419    HD2  LYS  57           HD2      LYS  57  10.435   4.559   4.521
  420    HD3  LYS  57           HD1      LYS  57  11.972   5.429   4.426
  421    HE2  LYS  57           HE2      LYS  57   9.650   5.985   6.270
  422    HE3  LYS  57           HE1      LYS  57  11.266   5.445   6.714
  423    HZ1  LYS  57           HZ1      LYS  57  12.111   7.616   5.836
  424    HZ2  LYS  57           HZ2      LYS  57  11.080   7.754   7.170
  425    HZ3  LYS  57           HZ3      LYS  57  10.494   8.107   5.635
  426    H    ILE  58           HN       ILE  58   7.037   5.168   1.399
  427    HA   ILE  58           HA       ILE  58   7.431   5.989  -1.383
  428    HB   ILE  58           HB       ILE  58   4.863   4.645  -0.495
  429   HG12  ILE  58          HG12      ILE  58   5.742   2.573  -1.813
  430   HG13  ILE  58          HG11      ILE  58   7.329   3.240  -1.419
  431   HG21  ILE  58          HG21      ILE  58   6.041   5.049  -3.229
  432   HG22  ILE  58          HG22      ILE  58   4.697   5.930  -2.508
  433   HG23  ILE  58          HG23      ILE  58   4.517   4.244  -2.885
  434   HD11  ILE  58          HD11      ILE  58   6.651   1.543   0.190
  435   HD12  ILE  58          HD12      ILE  58   5.214   2.494   0.581
  436   HD13  ILE  58          HD13      ILE  58   6.817   3.132   0.944
  437    HA   PRO  59           HA       PRO  59   5.103   9.280   0.670
  438    HB2  PRO  59           HB2      PRO  59   5.291  10.549  -1.972
  439    HB3  PRO  59           HB1      PRO  59   5.882  11.152  -0.420
  440    HG2  PRO  59           HG2      PRO  59   7.564  10.336  -2.353
  441    HG3  PRO  59           HG1      PRO  59   7.914  10.079  -0.631
  442    HD2  PRO  59           HD2      PRO  59   6.866   8.143  -2.655
  443    HD3  PRO  59           HD1      PRO  59   8.079   7.901  -1.380
  444    H    ASP  60           HN       ASP  60   2.820   9.556   0.513
  445    HA   ASP  60           HA       ASP  60   1.432   7.899  -1.237
  446    HB2  ASP  60           HB2      ASP  60  -0.630   8.800  -0.436
  447    HB3  ASP  60           HB1      ASP  60   0.472   8.846   0.921
  448    H    ASP  61           HN       ASP  61   2.802  10.917  -1.912
  449    HA   ASP  61           HA       ASP  61   1.174  11.412  -4.241
  450    HB2  ASP  61           HB2      ASP  61   2.352  13.284  -3.091
  451    HB3  ASP  61           HB1      ASP  61   3.893  12.584  -3.583
  452    H    ASP  62           HN       ASP  62   3.962   9.529  -3.552
  453    HA   ASP  62           HA       ASP  62   4.456   9.063  -6.423
  454    HB2  ASP  62           HB2      ASP  62   6.448   9.101  -4.868
  455    HB3  ASP  62           HB1      ASP  62   5.784   7.691  -4.053
  456    H    VAL  63           HN       VAL  63   3.001   7.717  -3.693
  457    HA   VAL  63           HA       VAL  63   2.532   5.113  -4.500
  458    HB   VAL  63           HB       VAL  63   2.050   6.500  -2.209
  459   HG11  VAL  63          HG11      VAL  63  -0.061   7.426  -2.897
  460   HG12  VAL  63          HG12      VAL  63  -0.286   6.283  -1.582
  461   HG13  VAL  63          HG13      VAL  63  -0.688   5.814  -3.236
  462   HG21  VAL  63          HG21      VAL  63   2.612   4.193  -2.339
  463   HG22  VAL  63          HG22      VAL  63   1.002   3.797  -2.945
  464   HG23  VAL  63          HG23      VAL  63   1.205   4.406  -1.303
  465    H    LYS  64           HN       LYS  64   1.055   7.929  -5.629
  466    HA   LYS  64           HA       LYS  64  -1.354   6.989  -6.486
  467    HB2  LYS  64           HB2      LYS  64  -1.355   8.779  -8.194
  468    HB3  LYS  64           HB1      LYS  64  -0.767   9.350  -6.636
  469    HG2  LYS  64           HG2      LYS  64   1.519   9.200  -7.458
  470    HG3  LYS  64           HG1      LYS  64   0.921   8.638  -9.017
  471    HD2  LYS  64           HD2      LYS  64   1.422  10.993  -9.120
  472    HD3  LYS  64           HD1      LYS  64  -0.326  10.730  -9.277
  473    HE2  LYS  64           HE2      LYS  64  -0.687  11.395  -6.988
  474    HE3  LYS  64           HE1      LYS  64   1.043  11.434  -6.678
  475    HZ1  LYS  64           HZ1      LYS  64  -0.590  13.352  -8.231
  476    HZ2  LYS  64           HZ2      LYS  64   1.095  13.243  -8.409
  477    HZ3  LYS  64           HZ3      LYS  64   0.472  13.612  -6.910
  478    H    ASN  65           HN       ASN  65   1.808   6.513  -7.744
  479    HA   ASN  65           HA       ASN  65   1.041   5.475 -10.313
  480    HB2  ASN  65           HB2      ASN  65   3.664   5.243  -8.804
  481    HB3  ASN  65           HB1      ASN  65   3.417   4.713 -10.457
  482   HD21  ASN  65          HD21      ASN  65   3.897   7.368  -8.350
  483   HD22  ASN  65          HD22      ASN  65   4.070   8.589  -9.548
  484    H    LEU  66           HN       LEU  66   0.792   4.373  -7.202
  485    HA   LEU  66           HA       LEU  66   1.275   1.561  -7.925
  486    HB2  LEU  66           HB2      LEU  66   1.087   2.740  -5.185
  487    HB3  LEU  66           HB1      LEU  66   1.597   1.134  -5.675
  488    HG   LEU  66           HG       LEU  66   3.107   3.708  -6.193
  489   HD11  LEU  66          HD11      LEU  66   3.041   3.209  -3.847
  490   HD12  LEU  66          HD12      LEU  66   4.667   2.926  -4.460
  491   HD13  LEU  66          HD13      LEU  66   3.586   1.565  -4.138
  492   HD21  LEU  66          HD21      LEU  66   4.986   2.262  -6.789
  493   HD22  LEU  66          HD22      LEU  66   3.597   1.991  -7.846
  494   HD23  LEU  66          HD23      LEU  66   3.964   0.845  -6.561
  495    H    LYS  67           HN       LYS  67  -1.087   3.045  -8.497
  496    HA   LYS  67           HA       LYS  67  -3.253   2.955  -6.853
  497    HB2  LYS  67           HB2      LYS  67  -4.714   2.442  -8.789
  498    HB3  LYS  67           HB1      LYS  67  -3.531   3.702  -9.110
  499    HG2  LYS  67           HG2      LYS  67  -2.349   2.433 -10.572
  500    HG3  LYS  67           HG1      LYS  67  -2.818   0.911  -9.812
  501    HD2  LYS  67           HD2      LYS  67  -3.867   1.139 -12.022
  502    HD3  LYS  67           HD1      LYS  67  -5.089   1.174 -10.759
  503    HE2  LYS  67           HE2      LYS  67  -5.142   3.641 -10.927
  504    HE3  LYS  67           HE1      LYS  67  -3.967   3.555 -12.241
  505    HZ1  LYS  67           HZ1      LYS  67  -6.704   2.395 -12.245
  506    HZ2  LYS  67           HZ2      LYS  67  -5.588   2.175 -13.481
  507    HZ3  LYS  67           HZ3      LYS  67  -6.198   3.714 -13.169
  508    H    THR  68           HN       THR  68  -1.647   0.051  -7.945
  509    HA   THR  68           HA       THR  68  -3.778  -1.499  -6.709
  510    HB   THR  68           HB       THR  68  -2.829  -3.456  -7.844
  511    HG1  THR  68           HG1      THR  68  -1.499  -1.690  -9.633
  512   HG21  THR  68          HG21      THR  68  -3.737  -1.247  -9.676
  513   HG22  THR  68          HG22      THR  68  -4.766  -2.333  -8.743
  514   HG23  THR  68          HG23      THR  68  -3.777  -2.977 -10.061
  515    H    VAL  69           HN       VAL  69  -3.139  -3.357  -5.435
  516    HA   VAL  69           HA       VAL  69  -1.186  -2.748  -3.475
  517    HB   VAL  69           HB       VAL  69  -2.094  -5.510  -4.200
  518   HG11  VAL  69          HG11      VAL  69  -1.257  -4.225  -1.647
  519   HG12  VAL  69          HG12      VAL  69  -0.256  -5.214  -2.703
  520   HG13  VAL  69          HG13      VAL  69  -1.675  -5.946  -1.867
  521   HG21  VAL  69          HG21      VAL  69  -4.055  -4.113  -3.984
  522   HG22  VAL  69          HG22      VAL  69  -3.493  -3.530  -2.409
  523   HG23  VAL  69          HG23      VAL  69  -3.917  -5.236  -2.638
  524    H    GLY  70           HN       GLY  70  -1.046  -4.783  -6.265
  525    HA2  GLY  70           HA2      GLY  70   1.520  -5.875  -5.696
  526    HA3  GLY  70           HA1      GLY  70   0.644  -6.001  -7.214
  527    H    ASP  71           HN       ASP  71   0.463  -2.952  -7.087
  528    HA   ASP  71           HA       ASP  71   2.857  -2.523  -8.616
  529    HB2  ASP  71           HB2      ASP  71   0.432  -1.423  -8.759
  530    HB3  ASP  71           HB1      ASP  71   1.238  -0.328  -7.616
  531    H    ALA  72           HN       ALA  72   1.394  -1.407  -5.599
  532    HA   ALA  72           HA       ALA  72   3.497   0.123  -4.496
  533    HB1  ALA  72           HB1      ALA  72   1.310  -0.117  -3.468
  534    HB2  ALA  72           HB2      ALA  72   2.603  -0.564  -2.354
  535    HB3  ALA  72           HB3      ALA  72   1.642  -1.818  -3.143
  536    H    THR  73           HN       THR  73   2.744  -3.271  -4.224
  537    HA   THR  73           HA       THR  73   4.961  -4.091  -2.777
  538    HB   THR  73           HB       THR  73   3.299  -5.696  -4.748
  539    HG1  THR  73           HG1      THR  73   1.939  -4.783  -3.210
  540   HG21  THR  73          HG21      THR  73   5.326  -6.888  -4.003
  541   HG22  THR  73          HG22      THR  73   3.850  -7.605  -3.334
  542   HG23  THR  73          HG23      THR  73   4.862  -6.573  -2.324
  543    H    LYS  74           HN       LYS  74   4.721  -3.222  -6.121
  544    HA   LYS  74           HA       LYS  74   6.927  -4.803  -7.046
  545    HB2  LYS  74           HB2      LYS  74   4.903  -3.666  -8.335
  546    HB3  LYS  74           HB1      LYS  74   6.017  -2.313  -8.420
  547    HG2  LYS  74           HG2      LYS  74   6.292  -3.505 -10.419
  548    HG3  LYS  74           HG1      LYS  74   7.685  -3.936  -9.418
  549    HD2  LYS  74           HD2      LYS  74   6.783  -5.939 -10.454
  550    HD3  LYS  74           HD1      LYS  74   6.497  -5.987  -8.713
  551    HE2  LYS  74           HE2      LYS  74   4.497  -6.724  -9.941
  552    HE3  LYS  74           HE1      LYS  74   4.180  -5.242  -9.056
  553    HZ1  LYS  74           HZ1      LYS  74   4.397  -3.973 -11.085
  554    HZ2  LYS  74           HZ2      LYS  74   3.301  -5.205 -11.383
  555    HZ3  LYS  74           HZ3      LYS  74   4.890  -5.339 -11.935
  556    H    TYR  75           HN       TYR  75   6.328  -1.386  -6.188
  557    HA   TYR  75           HA       TYR  75   8.986  -0.536  -6.568
  558    HB2  TYR  75           HB2      TYR  75   7.126   0.999  -6.715
  559    HB3  TYR  75           HB1      TYR  75   6.625   0.611  -5.076
  560    HD1  TYR  75           HD1      TYR  75   9.719   1.767  -6.798
  561    HD2  TYR  75           HD2      TYR  75   7.090   2.237  -3.504
  562    HE1  TYR  75           HE1      TYR  75  11.082   3.603  -5.997
  563    HE2  TYR  75           HE2      TYR  75   8.438   4.082  -2.674
  564    HH   TYR  75           HH       TYR  75  10.801   4.936  -2.870
  565    H    ILE  76           HN       ILE  76   7.033  -1.443  -3.819
  566    HA   ILE  76           HA       ILE  76   8.854  -0.804  -1.848
  567    HB   ILE  76           HB       ILE  76   6.459  -2.652  -1.796
  568   HG12  ILE  76          HG12      ILE  76   6.848   0.174  -0.792
  569   HG13  ILE  76          HG11      ILE  76   6.041  -0.284  -2.283
  570   HG21  ILE  76          HG21      ILE  76   7.806  -3.374   0.007
  571   HG22  ILE  76          HG22      ILE  76   6.531  -2.371   0.694
  572   HG23  ILE  76          HG23      ILE  76   8.167  -1.741   0.529
  573   HD11  ILE  76          HD11      ILE  76   4.458   0.259  -0.568
  574   HD12  ILE  76          HD12      ILE  76   5.136  -0.973   0.505
  575   HD13  ILE  76          HD13      ILE  76   4.326  -1.448  -0.994
  576    H    LEU  77           HN       LEU  77   8.242  -3.944  -3.471
  577    HA   LEU  77           HA       LEU  77   9.959  -5.380  -1.743
  578    HB2  LEU  77           HB2      LEU  77   8.100  -6.357  -2.997
  579    HB3  LEU  77           HB1      LEU  77   8.987  -6.190  -4.498
  580    HG   LEU  77           HG       LEU  77   9.913  -7.911  -2.187
  581   HD11  LEU  77          HD11      LEU  77   8.278  -8.670  -4.615
  582   HD12  LEU  77          HD12      LEU  77   7.723  -8.672  -2.939
  583   HD13  LEU  77          HD13      LEU  77   8.970  -9.804  -3.456
  584   HD21  LEU  77          HD21      LEU  77  11.228  -9.065  -3.918
  585   HD22  LEU  77          HD22      LEU  77  11.647  -7.355  -3.836
  586   HD23  LEU  77          HD23      LEU  77  10.610  -7.946  -5.135
  587    H    ASP  78           HN       ASP  78  10.306  -4.020  -4.994
  588    HA   ASP  78           HA       ASP  78  12.880  -4.977  -5.615
  589    HB2  ASP  78           HB2      ASP  78  11.440  -4.080  -7.335
  590    HB3  ASP  78           HB1      ASP  78  11.411  -2.507  -6.552
  591    H    HIS  79           HN       HIS  79  11.810  -2.319  -3.736
  592    HA   HIS  79           HA       HIS  79  14.517  -1.274  -3.490
  593    HB2  HIS  79           HB2      HIS  79  11.833  -0.068  -3.080
  594    HB3  HIS  79           HB1      HIS  79  13.240   0.661  -2.332
  595    HD1  HIS  79           HD1      HIS  79  14.538   2.223  -3.768
  596    HD2  HIS  79           HD2      HIS  79  12.011  -0.200  -5.990
  597    HE1  HIS  79           HE1      HIS  79  14.663   3.090  -6.113
  598    HE2  HIS  79           HE2      HIS  79  13.390   1.416  -7.464
  599    H    GLN  80           HN       GLN  80  12.924  -3.519  -1.989
  600    HA   GLN  80           HA       GLN  80  12.587  -2.988   0.674
  601    HB2  GLN  80           HB2      GLN  80  13.378  -5.471  -0.741
  602    HB3  GLN  80           HB1      GLN  80  13.395  -5.435   1.017
  603    HG2  GLN  80           HG2      GLN  80  11.045  -4.709  -0.683
  604    HG3  GLN  80           HG1      GLN  80  11.318  -6.294   0.049
  605   HE21  GLN  80          HE21      GLN  80   9.296  -4.188   0.432
  606   HE22  GLN  80          HE22      GLN  80   9.226  -3.971   2.134
  607    H    ALA  81           HN       ALA  81  13.686  -3.455   2.512
  608    HA   ALA  81           HA       ALA  81  16.588  -3.241   2.360
  609    HB1  ALA  81           HB1      ALA  81  16.435  -1.937   4.452
  610    HB2  ALA  81           HB2      ALA  81  14.674  -1.995   4.342
  611    HB3  ALA  81           HB3      ALA  81  15.605  -1.135   3.119
  612    H28  SXH 101          H28B      SXH 101  -6.179  10.008  -2.764
  613   H28A  SXH 101          H28A      SXH 101  -6.274   9.626  -1.063
  614    H30  SXH 101          H30C      SXH 101  -5.842  12.596  -3.133
  615   H30A  SXH 101          H30A      SXH 101  -5.265  13.646  -1.828
  616   H30B  SXH 101          H30B      SXH 101  -6.935  13.014  -1.805
  617    H31  SXH 101          H31A      SXH 101  -6.549  12.027   0.398
  618   H31A  SXH 101          H31C      SXH 101  -5.249  10.856   0.627
  619   H31B  SXH 101          H31B      SXH 101  -4.862  12.565   0.425
  620    H32  SXH 101          H32A      SXH 101  -3.271  12.041  -1.511
  621   HO33  SXH 101          H33A      SXH 101  -2.585  10.475  -0.609
  622   HN36  SXH 101          H36A      SXH 101  -2.387   9.894  -2.511
  623    H37  SXH 101          H37A      SXH 101  -1.568  10.356  -5.112
  624   H37A  SXH 101          H37B      SXH 101  -1.705   8.720  -4.484
  625    H38  SXH 101          H38A      SXH 101  -3.833  10.230  -5.966
  626   H38A  SXH 101          H38B      SXH 101  -2.895   8.849  -6.589
  627   HN41  SXH 101          H41A      SXH 101  -3.248   7.750  -3.794
  628    H42  SXH 101          H42A      SXH 101  -5.017   6.951  -2.481
  629   H42A  SXH 101          H42B      SXH 101  -6.043   6.899  -3.927
  630    H43  SXH 101          H43A      SXH 101  -4.703   5.189  -4.830
  631   H43A  SXH 101          H43B      SXH 101  -5.151   4.710  -3.136
  632    H2   SXH 101           H2A      SXH 101  -0.992   3.630  -2.653
  633    H2A  SXH 101           H2B      SXH 101  -0.768   3.023  -4.283
  634    H3   SXH 101           H3A      SXH 101  -1.794   0.975  -3.814
  635    H3A  SXH 101           H3B      SXH 101  -2.374   1.535  -2.241
  636    H4   SXH 101           H4B      SXH 101  -0.408   0.016  -2.158
  637    H4A  SXH 101           H4A      SXH 101   0.521   1.271  -2.973
  638    H5   SXH 101           H5A      SXH 101  -0.800   1.463  -0.269
  639    H5A  SXH 101           H5B      SXH 101   0.014   2.806  -1.093
  640    H6   SXH 101           H6C      SXH 101   2.082   1.509  -1.120
  641    H6A  SXH 101           H6A      SXH 101   1.259   0.181  -0.305
  642    H6B  SXH 101           H6B      SXH 101   1.478   1.721   0.524
  Start of MODEL   14
    1    H1   ALA   1           HT1      ALA   1  14.606  -8.439   4.385
    2    H2   ALA   1           HT2      ALA   1  13.724  -9.855   4.058
    3    H3   ALA   1           HT3      ALA   1  13.047  -8.631   4.993
    4    HA   ALA   1           HA       ALA   1  12.975  -7.147   3.180
    5    HB1  ALA   1           HB1      ALA   1  13.466  -7.929   0.918
    6    HB2  ALA   1           HB2      ALA   1  14.017  -9.478   1.562
    7    HB3  ALA   1           HB3      ALA   1  14.909  -7.999   1.930
    8    H    ALA   2           HN       ALA   2  10.956  -6.965   2.840
    9    HA   ALA   2           HA       ALA   2   9.125  -9.053   3.214
   10    HB1  ALA   2           HB1      ALA   2   8.627  -6.760   3.841
   11    HB2  ALA   2           HB2      ALA   2   7.440  -7.369   2.689
   12    HB3  ALA   2           HB3      ALA   2   8.708  -6.270   2.150
   13    H    THR   3           HN       THR   3   7.736  -9.990   1.668
   14    HA   THR   3           HA       THR   3   8.893 -10.006  -1.004
   15    HB   THR   3           HB       THR   3   7.722 -12.255  -1.110
   16    HG1  THR   3           HG1      THR   3   7.783 -12.322   1.682
   17   HG21  THR   3          HG21      THR   3  10.145 -12.076  -0.735
   18   HG22  THR   3          HG22      THR   3   9.460 -13.423   0.173
   19   HG23  THR   3          HG23      THR   3   9.866 -11.919   0.998
   20    H    GLN   4           HN       GLN   4   6.845 -11.156  -2.355
   21    HA   GLN   4           HA       GLN   4   4.950  -9.160  -2.740
   22    HB2  GLN   4           HB2      GLN   4   5.470 -10.919  -4.403
   23    HB3  GLN   4           HB1      GLN   4   4.798 -12.134  -3.345
   24    HG2  GLN   4           HG2      GLN   4   3.099  -9.906  -4.458
   25    HG3  GLN   4           HG1      GLN   4   3.437 -11.353  -5.393
   26   HE21  GLN   4          HE21      GLN   4   1.680 -10.024  -2.706
   27   HE22  GLN   4          HE22      GLN   4   0.695 -11.395  -2.401
   28    H    GLU   5           HN       GLU   5   4.792 -12.162  -0.982
   29    HA   GLU   5           HA       GLU   5   2.130 -11.961  -0.108
   30    HB2  GLU   5           HB2      GLU   5   4.405 -13.467   1.190
   31    HB3  GLU   5           HB1      GLU   5   2.686 -13.828   1.324
   32    HG2  GLU   5           HG2      GLU   5   2.600 -14.356  -1.059
   33    HG3  GLU   5           HG1      GLU   5   4.308 -13.977  -1.219
   34    H    GLU   6           HN       GLU   6   5.166 -10.992   1.320
   35    HA   GLU   6           HA       GLU   6   4.028 -10.349   3.863
   36    HB2  GLU   6           HB2      GLU   6   6.751  -9.790   2.756
   37    HB3  GLU   6           HB1      GLU   6   6.259  -9.453   4.409
   38    HG2  GLU   6           HG2      GLU   6   5.853 -11.754   4.842
   39    HG3  GLU   6           HG1      GLU   6   6.113 -12.165   3.146
   40    H    ILE   7           HN       ILE   7   5.346  -8.194   1.203
   41    HA   ILE   7           HA       ILE   7   4.736  -5.808   2.454
   42    HB   ILE   7           HB       ILE   7   4.554  -6.517  -0.489
   43   HG12  ILE   7          HG12      ILE   7   6.772  -5.212   1.071
   44   HG13  ILE   7          HG11      ILE   7   6.718  -6.924   0.657
   45   HG21  ILE   7          HG21      ILE   7   3.347  -4.436   0.010
   46   HG22  ILE   7          HG22      ILE   7   4.824  -4.112  -0.897
   47   HG23  ILE   7          HG23      ILE   7   4.771  -3.807   0.841
   48   HD11  ILE   7          HD11      ILE   7   8.127  -5.690  -0.845
   49   HD12  ILE   7          HD12      ILE   7   6.776  -4.638  -1.270
   50   HD13  ILE   7          HD13      ILE   7   6.731  -6.352  -1.688
   51    H    VAL   8           HN       VAL   8   2.763  -7.907   0.492
   52    HA   VAL   8           HA       VAL   8   0.440  -6.353   0.312
   53    HB   VAL   8           HB       VAL   8   0.770  -9.368   0.293
   54   HG11  VAL   8          HG11      VAL   8  -1.747  -7.779  -0.297
   55   HG12  VAL   8          HG12      VAL   8  -1.514  -8.845   1.089
   56   HG13  VAL   8          HG13      VAL   8  -1.536  -9.514  -0.544
   57   HG21  VAL   8          HG21      VAL   8   1.716  -8.181  -1.562
   58   HG22  VAL   8          HG22      VAL   8   0.222  -7.291  -1.797
   59   HG23  VAL   8          HG23      VAL   8   0.266  -9.034  -2.095
   60    H    ALA   9           HN       ALA   9   1.063  -8.927   2.707
   61    HA   ALA   9           HA       ALA   9  -1.273  -8.540   4.200
   62    HB1  ALA   9           HB1      ALA   9  -0.164  -9.814   5.944
   63    HB2  ALA   9           HB2      ALA   9   1.396  -9.555   5.167
   64    HB3  ALA   9           HB3      ALA   9   0.161 -10.526   4.363
   65    H    GLY  10           HN       GLY  10   1.783  -6.850   4.311
   66    HA2  GLY  10           HA2      GLY  10   1.392  -5.630   6.840
   67    HA3  GLY  10           HA1      GLY  10   2.605  -5.209   5.634
   68    H    LEU  11           HN       LEU  11   1.001  -4.662   3.475
   69    HA   LEU  11           HA       LEU  11   0.055  -2.019   4.056
   70    HB2  LEU  11           HB2      LEU  11  -0.550  -3.757   1.661
   71    HB3  LEU  11           HB1      LEU  11  -0.782  -2.030   1.771
   72    HG   LEU  11           HG       LEU  11   1.848  -3.491   1.728
   73   HD11  LEU  11          HD11      LEU  11   2.146  -2.369  -0.422
   74   HD12  LEU  11          HD12      LEU  11   0.525  -1.688  -0.289
   75   HD13  LEU  11          HD13      LEU  11   0.739  -3.431  -0.425
   76   HD21  LEU  11          HD21      LEU  11   1.267  -0.541   1.897
   77   HD22  LEU  11          HD22      LEU  11   2.861  -1.260   1.643
   78   HD23  LEU  11          HD23      LEU  11   1.997  -1.539   3.155
   79    H    ALA  12           HN       ALA  12  -1.476  -5.106   3.406
   80    HA   ALA  12           HA       ALA  12  -4.096  -4.263   3.359
   81    HB1  ALA  12           HB1      ALA  12  -3.367  -6.452   2.630
   82    HB2  ALA  12           HB2      ALA  12  -4.735  -6.486   3.750
   83    HB3  ALA  12           HB3      ALA  12  -3.116  -6.919   4.324
   84    H    GLU  13           HN       GLU  13  -2.202  -5.439   6.190
   85    HA   GLU  13           HA       GLU  13  -4.378  -5.286   7.939
   86    HB2  GLU  13           HB2      GLU  13  -2.736  -5.159   9.803
   87    HB3  GLU  13           HB1      GLU  13  -2.412  -6.467   8.679
   88    HG2  GLU  13           HG2      GLU  13  -0.580  -5.394   7.766
   89    HG3  GLU  13           HG1      GLU  13  -1.055  -3.827   8.415
   90    H    ILE  14           HN       ILE  14  -2.219  -2.849   6.878
   91    HA   ILE  14           HA       ILE  14  -3.111  -0.824   8.690
   92    HB   ILE  14           HB       ILE  14  -1.980  -0.450   5.889
   93   HG12  ILE  14          HG12      ILE  14  -0.465  -0.432   8.488
   94   HG13  ILE  14          HG11      ILE  14  -0.650  -1.894   7.524
   95   HG21  ILE  14          HG21      ILE  14  -1.264   1.724   6.807
   96   HG22  ILE  14          HG22      ILE  14  -2.024   1.322   8.351
   97   HG23  ILE  14          HG23      ILE  14  -3.018   1.550   6.911
   98   HD11  ILE  14          HD11      ILE  14   0.631   0.671   6.616
   99   HD12  ILE  14          HD12      ILE  14   0.416  -0.813   5.668
  100   HD13  ILE  14          HD13      ILE  14   1.458  -0.824   7.091
  101    H    VAL  15           HN       VAL  15  -3.937  -1.510   5.292
  102    HA   VAL  15           HA       VAL  15  -6.041   0.233   4.844
  103    HB   VAL  15           HB       VAL  15  -5.759  -2.605   3.820
  104   HG11  VAL  15          HG11      VAL  15  -7.077  -1.837   1.892
  105   HG12  VAL  15          HG12      VAL  15  -7.262  -0.256   2.637
  106   HG13  VAL  15          HG13      VAL  15  -7.994  -1.672   3.381
  107   HG21  VAL  15          HG21      VAL  15  -3.779  -1.300   3.445
  108   HG22  VAL  15          HG22      VAL  15  -4.735  -0.002   2.721
  109   HG23  VAL  15          HG23      VAL  15  -4.641  -1.597   1.942
  110    H    ASN  16           HN       ASN  16  -6.083  -2.968   6.296
  111    HA   ASN  16           HA       ASN  16  -8.796  -3.376   6.752
  112    HB2  ASN  16           HB2      ASN  16  -6.298  -4.325   8.053
  113    HB3  ASN  16           HB1      ASN  16  -7.779  -4.586   8.936
  114   HD21  ASN  16          HD21      ASN  16  -6.099  -5.250   5.997
  115   HD22  ASN  16          HD22      ASN  16  -6.977  -6.684   5.649
  116    H    GLU  17           HN       GLU  17  -6.480  -1.532   8.671
  117    HA   GLU  17           HA       GLU  17  -8.336  -1.176  10.799
  118    HB2  GLU  17           HB2      GLU  17  -5.739   0.253  10.267
  119    HB3  GLU  17           HB1      GLU  17  -6.660   0.322  11.765
  120    HG2  GLU  17           HG2      GLU  17  -5.321  -2.107  10.585
  121    HG3  GLU  17           HG1      GLU  17  -4.799  -1.189  11.995
  122    H    ILE  18           HN       ILE  18  -7.203   0.903   8.153
  123    HA   ILE  18           HA       ILE  18  -8.842   3.086   9.229
  124    HB   ILE  18           HB       ILE  18  -7.433   3.174   6.598
  125   HG12  ILE  18          HG12      ILE  18  -6.111   3.851   9.233
  126   HG13  ILE  18          HG11      ILE  18  -5.821   2.337   8.364
  127   HG21  ILE  18          HG21      ILE  18  -7.222   5.567   7.207
  128   HG22  ILE  18          HG22      ILE  18  -8.040   5.242   8.734
  129   HG23  ILE  18          HG23      ILE  18  -8.907   5.040   7.206
  130   HD11  ILE  18          HD11      ILE  18  -4.979   3.620   6.485
  131   HD12  ILE  18          HD12      ILE  18  -4.084   4.016   7.959
  132   HD13  ILE  18          HD13      ILE  18  -5.324   5.109   7.337
  133    H    ALA  19           HN       ALA  19  -8.558   1.454   5.997
  134    HA   ALA  19           HA       ALA  19 -11.158   2.449   5.235
  135    HB1  ALA  19           HB1      ALA  19  -9.423   2.104   3.516
  136    HB2  ALA  19           HB2      ALA  19 -10.872   1.165   3.160
  137    HB3  ALA  19           HB3      ALA  19  -9.460   0.371   3.835
  138    H    GLY  20           HN       GLY  20  -9.857  -0.764   5.868
  139    HA2  GLY  20           HA2      GLY  20 -11.168  -2.274   7.230
  140    HA3  GLY  20           HA1      GLY  20 -12.608  -1.628   6.457
  141    H    ILE  21           HN       ILE  21 -10.056  -2.044   4.196
  142    HA   ILE  21           HA       ILE  21 -11.455  -4.177   2.934
  143    HB   ILE  21           HB       ILE  21  -8.713  -3.021   2.367
  144   HG12  ILE  21          HG12      ILE  21 -10.435  -1.371   2.094
  145   HG13  ILE  21          HG11      ILE  21  -9.892  -1.894   0.501
  146   HG21  ILE  21          HG21      ILE  21  -8.991  -5.316   1.527
  147   HG22  ILE  21          HG22      ILE  21  -8.848  -4.148   0.228
  148   HG23  ILE  21          HG23      ILE  21 -10.435  -4.814   0.645
  149   HD11  ILE  21          HD11      ILE  21 -12.365  -2.806   1.923
  150   HD12  ILE  21          HD12      ILE  21 -11.809  -3.393   0.359
  151   HD13  ILE  21          HD13      ILE  21 -12.305  -1.694   0.543
  152    HA   PRO  22           HA       PRO  22  -9.550  -7.092   5.691
  153    HB2  PRO  22           HB2      PRO  22 -10.375  -9.128   3.737
  154    HB3  PRO  22           HB1      PRO  22 -10.815  -8.963   5.441
  155    HG2  PRO  22           HG2      PRO  22 -12.515  -8.482   3.486
  156    HG3  PRO  22           HG1      PRO  22 -12.549  -7.528   4.992
  157    HD2  PRO  22           HD2      PRO  22 -11.481  -6.776   2.298
  158    HD3  PRO  22           HD1      PRO  22 -12.325  -5.770   3.496
  159    H    VAL  23           HN       VAL  23  -8.038  -8.675   5.799
  160    HA   VAL  23           HA       VAL  23  -5.789  -7.727   4.473
  161    HB   VAL  23           HB       VAL  23  -5.929  -8.563   6.816
  162   HG11  VAL  23          HG11      VAL  23  -5.539 -10.921   7.310
  163   HG12  VAL  23          HG12      VAL  23  -5.756 -11.284   5.595
  164   HG13  VAL  23          HG13      VAL  23  -7.088 -10.600   6.522
  165   HG21  VAL  23          HG21      VAL  23  -3.784  -8.030   5.874
  166   HG22  VAL  23          HG22      VAL  23  -3.647  -9.642   5.161
  167   HG23  VAL  23          HG23      VAL  23  -3.627  -9.443   6.917
  168    H    GLU  24           HN       GLU  24  -7.989 -10.108   3.615
  169    HA   GLU  24           HA       GLU  24  -6.087 -11.437   1.842
  170    HB2  GLU  24           HB2      GLU  24  -8.834 -12.326   2.681
  171    HB3  GLU  24           HB1      GLU  24  -7.789 -13.187   1.561
  172    HG2  GLU  24           HG2      GLU  24  -7.311 -12.647   4.459
  173    HG3  GLU  24           HG1      GLU  24  -7.678 -14.203   3.718
  174    H    ASP  25           HN       ASP  25  -8.571  -9.079   1.795
  175    HA   ASP  25           HA       ASP  25  -9.518  -9.786  -0.844
  176    HB2  ASP  25           HB2      ASP  25 -10.739  -8.362   1.057
  177    HB3  ASP  25           HB1      ASP  25  -9.846  -7.029   0.334
  178    H    VAL  26           HN       VAL  26  -7.305  -7.577   0.719
  179    HA   VAL  26           HA       VAL  26  -6.144  -6.359  -1.522
  180    HB   VAL  26           HB       VAL  26  -5.056  -7.011   1.246
  181   HG11  VAL  26          HG11      VAL  26  -3.225  -6.615  -0.306
  182   HG12  VAL  26          HG12      VAL  26  -3.374  -5.278   0.835
  183   HG13  VAL  26          HG13      VAL  26  -3.965  -5.099  -0.819
  184   HG21  VAL  26          HG21      VAL  26  -6.265  -4.491   0.137
  185   HG22  VAL  26          HG22      VAL  26  -5.541  -4.642   1.739
  186   HG23  VAL  26          HG23      VAL  26  -6.995  -5.558   1.332
  187    H    LYS  27           HN       LYS  27  -5.685  -7.831  -3.026
  188    HA   LYS  27           HA       LYS  27  -3.908 -10.062  -2.331
  189    HB2  LYS  27           HB2      LYS  27  -5.562  -9.557  -4.766
  190    HB3  LYS  27           HB1      LYS  27  -4.601 -11.041  -4.517
  191    HG2  LYS  27           HG2      LYS  27  -6.036 -11.483  -2.531
  192    HG3  LYS  27           HG1      LYS  27  -6.965 -10.042  -2.926
  193    HD2  LYS  27           HD2      LYS  27  -7.368 -11.145  -5.193
  194    HD3  LYS  27           HD1      LYS  27  -6.760 -12.622  -4.444
  195    HE2  LYS  27           HE2      LYS  27  -9.107 -10.977  -3.510
  196    HE3  LYS  27           HE1      LYS  27  -9.195 -12.537  -4.325
  197    HZ1  LYS  27           HZ1      LYS  27  -8.070 -13.530  -2.366
  198    HZ2  LYS  27           HZ2      LYS  27  -9.491 -12.746  -1.921
  199    HZ3  LYS  27           HZ3      LYS  27  -8.030 -12.021  -1.635
  200    H    LEU  28           HN       LEU  28  -3.909  -8.944  -5.553
  201    HA   LEU  28           HA       LEU  28  -1.781  -7.070  -4.982
  202    HB2  LEU  28           HB2      LEU  28   0.062  -8.119  -5.939
  203    HB3  LEU  28           HB1      LEU  28  -0.793  -9.436  -5.180
  204    HG   LEU  28           HG       LEU  28  -1.747  -9.837  -7.582
  205   HD11  LEU  28          HD11      LEU  28   0.803  -8.332  -8.170
  206   HD12  LEU  28          HD12      LEU  28  -0.825  -7.802  -8.563
  207   HD13  LEU  28          HD13      LEU  28  -0.154  -9.237  -9.346
  208   HD21  LEU  28          HD21      LEU  28   1.101 -10.487  -6.821
  209   HD22  LEU  28          HD22      LEU  28   0.140 -11.329  -8.038
  210   HD23  LEU  28          HD23      LEU  28  -0.333 -11.394  -6.340
  211    H    ASP  29           HN       ASP  29  -3.762  -8.556  -7.449
  212    HA   ASP  29           HA       ASP  29  -3.188  -6.436  -9.365
  213    HB2  ASP  29           HB2      ASP  29  -5.085  -8.770  -9.393
  214    HB3  ASP  29           HB1      ASP  29  -4.792  -7.721 -10.786
  215    H    LYS  30           HN       LYS  30  -4.421  -5.993  -6.764
  216    HA   LYS  30           HA       LYS  30  -7.155  -5.362  -7.410
  217    HB2  LYS  30           HB2      LYS  30  -5.767  -6.279  -4.941
  218    HB3  LYS  30           HB1      LYS  30  -7.112  -5.167  -4.764
  219    HG2  LYS  30           HG2      LYS  30  -7.743  -7.541  -4.525
  220    HG3  LYS  30           HG1      LYS  30  -8.614  -6.713  -5.806
  221    HD2  LYS  30           HD2      LYS  30  -7.048  -7.729  -7.438
  222    HD3  LYS  30           HD1      LYS  30  -6.302  -8.614  -6.112
  223    HE2  LYS  30           HE2      LYS  30  -7.891 -10.068  -7.201
  224    HE3  LYS  30           HE1      LYS  30  -8.536  -9.625  -5.622
  225    HZ1  LYS  30           HZ1      LYS  30  -9.888  -7.876  -6.829
  226    HZ2  LYS  30           HZ2      LYS  30 -10.286  -9.459  -7.205
  227    HZ3  LYS  30           HZ3      LYS  30  -9.334  -8.565  -8.270
  228    H    SER  31           HN       SER  31  -7.127  -3.498  -8.090
  229    HA   SER  31           HA       SER  31  -5.499  -1.327  -7.283
  230    HB2  SER  31           HB2      SER  31  -8.307  -1.148  -8.410
  231    HB3  SER  31           HB1      SER  31  -6.998   0.024  -8.575
  232    HG   SER  31           HG       SER  31  -7.269  -2.516  -9.799
  233    H    PHE  32           HN       PHE  32  -5.515  -0.826  -5.169
  234    HA   PHE  32           HA       PHE  32  -7.334  -1.222  -3.239
  235    HB2  PHE  32           HB2      PHE  32  -5.364   0.950  -3.600
  236    HB3  PHE  32           HB1      PHE  32  -6.469   1.042  -2.227
  237    HD1  PHE  32           HD1      PHE  32  -6.506  -0.899  -0.604
  238    HD2  PHE  32           HD2      PHE  32  -3.464  -0.392  -3.542
  239    HE1  PHE  32           HE1      PHE  32  -5.069  -2.386   0.662
  240    HE2  PHE  32           HE2      PHE  32  -1.997  -1.876  -2.278
  241    HZ   PHE  32           HZ       PHE  32  -2.764  -2.885  -0.178
  242    H    THR  33           HN       THR  33  -7.273   2.112  -4.812
  243    HA   THR  33           HA       THR  33  -9.842   2.776  -3.957
  244    HB   THR  33           HB       THR  33  -9.273   4.560  -5.826
  245    HG1  THR  33           HG1      THR  33  -7.204   4.457  -6.507
  246   HG21  THR  33          HG21      THR  33  -7.732   4.289  -3.231
  247   HG22  THR  33          HG22      THR  33  -9.349   4.976  -3.390
  248   HG23  THR  33          HG23      THR  33  -7.969   5.784  -4.134
  249    H    ASP  34           HN       ASP  34 -10.049   0.313  -5.458
  250    HA   ASP  34           HA       ASP  34 -12.117   1.066  -7.298
  251    HB2  ASP  34           HB2      ASP  34 -10.274   1.446  -8.827
  252    HB3  ASP  34           HB1      ASP  34  -9.594  -0.134  -8.467
  253    H    ASP  35           HN       ASP  35  -9.907  -1.643  -6.995
  254    HA   ASP  35           HA       ASP  35 -11.825  -3.692  -7.492
  255    HB2  ASP  35           HB2      ASP  35  -9.186  -3.713  -7.546
  256    HB3  ASP  35           HB1      ASP  35  -9.355  -4.096  -5.882
  257    H    LEU  36           HN       LEU  36 -10.139  -2.538  -4.714
  258    HA   LEU  36           HA       LEU  36 -11.460  -4.288  -2.867
  259    HB2  LEU  36           HB2      LEU  36  -9.518  -2.009  -2.434
  260    HB3  LEU  36           HB1      LEU  36  -9.998  -3.212  -1.244
  261    HG   LEU  36           HG       LEU  36  -8.359  -3.632  -3.746
  262   HD11  LEU  36          HD11      LEU  36  -7.162  -2.563  -2.021
  263   HD12  LEU  36          HD12      LEU  36  -6.627  -4.235  -2.215
  264   HD13  LEU  36          HD13      LEU  36  -7.688  -3.788  -0.870
  265   HD21  LEU  36          HD21      LEU  36  -9.810  -5.525  -3.352
  266   HD22  LEU  36          HD22      LEU  36  -9.241  -5.607  -1.683
  267   HD23  LEU  36          HD23      LEU  36  -8.124  -5.906  -3.015
  268    H    ASP  37           HN       ASP  37 -10.809  -1.042  -2.265
  269    HA   ASP  37           HA       ASP  37 -12.596   0.735  -2.609
  270    HB2  ASP  37           HB2      ASP  37 -14.527  -0.858  -2.018
  271    HB3  ASP  37           HB1      ASP  37 -13.950  -0.801  -0.369
  272    H    VAL  38           HN       VAL  38 -10.226   0.967  -1.787
  273    HA   VAL  38           HA       VAL  38 -10.297   1.479   1.061
  274    HB   VAL  38           HB       VAL  38  -8.161   0.688  -0.216
  275   HG11  VAL  38          HG11      VAL  38  -8.085   3.588  -0.991
  276   HG12  VAL  38          HG12      VAL  38  -8.242   2.206  -2.075
  277   HG13  VAL  38          HG13      VAL  38  -6.751   2.446  -1.162
  278   HG21  VAL  38          HG21      VAL  38  -8.053   1.427   2.088
  279   HG22  VAL  38          HG22      VAL  38  -7.971   3.108   1.569
  280   HG23  VAL  38          HG23      VAL  38  -6.642   2.009   1.203
  281    H    ASP  39           HN       ASP  39 -10.246   3.714   1.860
  282    HA   ASP  39           HA       ASP  39 -11.252   5.508  -0.109
  283    HB2  ASP  39           HB2      ASP  39 -12.356   5.181   2.169
  284    HB3  ASP  39           HB1      ASP  39 -10.847   5.766   2.872
  285    H    SER  40           HN       SER  40  -9.612   6.437  -1.110
  286    HA   SER  40           HA       SER  40  -6.999   6.175  -0.689
  287    HB2  SER  40           HB2      SER  40  -6.684   8.057  -2.165
  288    HB3  SER  40           HB1      SER  40  -8.084   7.113  -2.663
  289    H    LEU  41           HN       LEU  41  -8.814   7.846   1.594
  290    HA   LEU  41           HA       LEU  41  -6.748   9.778   2.264
  291    HB2  LEU  41           HB2      LEU  41  -9.345   9.199   3.674
  292    HB3  LEU  41           HB1      LEU  41  -8.317  10.610   3.883
  293    HG   LEU  41           HG       LEU  41  -9.837   9.864   1.422
  294   HD11  LEU  41          HD11      LEU  41 -11.271  10.729   3.217
  295   HD12  LEU  41          HD12      LEU  41 -11.141  11.935   1.936
  296   HD13  LEU  41          HD13      LEU  41 -10.208  12.121   3.422
  297   HD21  LEU  41          HD21      LEU  41  -7.785  10.982   0.814
  298   HD22  LEU  41          HD22      LEU  41  -8.106  12.280   1.962
  299   HD23  LEU  41          HD23      LEU  41  -9.141  12.077   0.548
  300    H    SER  42           HN       SER  42  -7.909   6.646   3.009
  301    HA   SER  42           HA       SER  42  -6.696   6.210   5.507
  302    HB2  SER  42           HB2      SER  42  -7.294   4.381   3.187
  303    HB3  SER  42           HB1      SER  42  -6.926   3.818   4.800
  304    HG   SER  42           HG       SER  42  -9.045   5.634   4.595
  305    H    MET  43           HN       MET  43  -5.878   6.267   2.154
  306    HA   MET  43           HA       MET  43  -3.629   4.627   2.167
  307    HB2  MET  43           HB2      MET  43  -4.996   5.283   0.177
  308    HB3  MET  43           HB1      MET  43  -4.212   6.856   0.235
  309    HG2  MET  43           HG2      MET  43  -3.217   5.366  -1.375
  310    HG3  MET  43           HG1      MET  43  -2.065   5.830  -0.108
  311    HE1  MET  43           HE1      MET  43  -4.364   3.021  -1.537
  312    HE2  MET  43           HE2      MET  43  -5.040   3.264   0.072
  313    HE3  MET  43           HE3      MET  43  -4.215   1.753  -0.318
  314    H    VAL  44           HN       VAL  44  -4.066   8.023   2.815
  315    HA   VAL  44           HA       VAL  44  -1.414   8.825   2.652
  316    HB   VAL  44           HB       VAL  44  -3.503   9.833   4.609
  317   HG11  VAL  44          HG11      VAL  44  -2.242  11.929   4.546
  318   HG12  VAL  44          HG12      VAL  44  -1.047  11.177   3.490
  319   HG13  VAL  44          HG13      VAL  44  -1.256  10.594   5.144
  320   HG21  VAL  44          HG21      VAL  44  -4.353   9.892   2.317
  321   HG22  VAL  44          HG22      VAL  44  -2.925  10.695   1.769
  322   HG23  VAL  44          HG23      VAL  44  -4.025  11.528   2.873
  323    H    GLU  45           HN       GLU  45  -3.301   7.604   5.413
  324    HA   GLU  45           HA       GLU  45  -1.082   7.534   7.167
  325    HB2  GLU  45           HB2      GLU  45  -3.820   6.284   7.315
  326    HB3  GLU  45           HB1      GLU  45  -2.655   6.289   8.632
  327    HG2  GLU  45           HG2      GLU  45  -3.779   8.759   7.341
  328    HG3  GLU  45           HG1      GLU  45  -4.399   8.036   8.823
  329    H    VAL  46           HN       VAL  46  -2.604   5.259   4.948
  330    HA   VAL  46           HA       VAL  46  -1.323   2.917   5.871
  331    HB   VAL  46           HB       VAL  46  -2.270   3.510   3.008
  332   HG11  VAL  46          HG11      VAL  46  -0.697   1.615   3.029
  333   HG12  VAL  46          HG12      VAL  46  -2.371   1.092   2.719
  334   HG13  VAL  46          HG13      VAL  46  -1.672   0.867   4.311
  335   HG21  VAL  46          HG21      VAL  46  -4.121   3.604   4.559
  336   HG22  VAL  46          HG22      VAL  46  -3.630   2.069   5.270
  337   HG23  VAL  46          HG23      VAL  46  -4.223   2.112   3.612
  338    H    VAL  47           HN       VAL  47  -0.405   5.439   3.702
  339    HA   VAL  47           HA       VAL  47   2.076   4.485   2.715
  340    HB   VAL  47           HB       VAL  47   0.695   7.162   2.962
  341   HG11  VAL  47          HG11      VAL  47   3.542   6.819   2.035
  342   HG12  VAL  47          HG12      VAL  47   3.028   7.664   3.494
  343   HG13  VAL  47          HG13      VAL  47   2.575   8.289   1.906
  344   HG21  VAL  47          HG21      VAL  47   0.118   5.707   1.127
  345   HG22  VAL  47          HG22      VAL  47   1.811   5.608   0.649
  346   HG23  VAL  47          HG23      VAL  47   0.953   7.143   0.539
  347    H    VAL  48           HN       VAL  48   1.460   6.813   5.288
  348    HA   VAL  48           HA       VAL  48   4.123   6.920   6.075
  349    HB   VAL  48           HB       VAL  48   1.655   7.453   7.742
  350   HG11  VAL  48          HG11      VAL  48   3.121   8.843   9.129
  351   HG12  VAL  48          HG12      VAL  48   4.513   8.346   8.170
  352   HG13  VAL  48          HG13      VAL  48   3.656   7.163   9.156
  353   HG21  VAL  48          HG21      VAL  48   2.098   9.786   7.089
  354   HG22  VAL  48          HG22      VAL  48   1.765   8.720   5.709
  355   HG23  VAL  48          HG23      VAL  48   3.421   9.192   6.071
  356    H    ALA  49           HN       ALA  49   1.642   4.705   6.923
  357    HA   ALA  49           HA       ALA  49   3.065   3.456   9.057
  358    HB1  ALA  49           HB1      ALA  49   0.817   2.384   7.343
  359    HB2  ALA  49           HB2      ALA  49   0.624   3.270   8.847
  360    HB3  ALA  49           HB3      ALA  49   1.379   1.674   8.855
  361    H    ALA  50           HN       ALA  50   2.594   2.722   5.616
  362    HA   ALA  50           HA       ALA  50   4.164   0.392   5.523
  363    HB1  ALA  50           HB1      ALA  50   4.150   0.684   3.108
  364    HB2  ALA  50           HB2      ALA  50   3.564   2.336   3.299
  365    HB3  ALA  50           HB3      ALA  50   2.546   0.979   3.782
  366    H    GLU  51           HN       GLU  51   4.943   3.779   4.964
  367    HA   GLU  51           HA       GLU  51   7.558   3.525   4.032
  368    HB2  GLU  51           HB2      GLU  51   6.549   5.622   5.919
  369    HB3  GLU  51           HB1      GLU  51   8.006   5.750   4.978
  370    HG2  GLU  51           HG2      GLU  51   6.782   5.917   2.938
  371    HG3  GLU  51           HG1      GLU  51   5.252   5.593   3.743
  372    H    GLU  52           HN       GLU  52   6.178   3.645   7.189
  373    HA   GLU  52           HA       GLU  52   8.588   3.916   8.681
  374    HB2  GLU  52           HB2      GLU  52   6.386   4.712   9.417
  375    HB3  GLU  52           HB1      GLU  52   5.834   3.053   9.548
  376    HG2  GLU  52           HG2      GLU  52   6.355   3.945  11.714
  377    HG3  GLU  52           HG1      GLU  52   7.487   2.656  11.303
  378    H    ARG  53           HN       ARG  53   6.419   1.256   7.938
  379    HA   ARG  53           HA       ARG  53   7.876  -0.567   9.616
  380    HB2  ARG  53           HB2      ARG  53   6.164  -2.135   9.078
  381    HB3  ARG  53           HB1      ARG  53   5.435  -0.567   9.432
  382    HG2  ARG  53           HG2      ARG  53   5.185  -0.163   7.043
  383    HG3  ARG  53           HG1      ARG  53   5.859  -1.756   6.711
  384    HD2  ARG  53           HD2      ARG  53   3.324  -1.173   8.238
  385    HD3  ARG  53           HD1      ARG  53   3.491  -1.758   6.574
  386    HE   ARG  53           HE       ARG  53   4.711  -3.695   7.702
  387   HH11  ARG  53          HH11      ARG  53   2.127  -1.954   9.402
  388   HH12  ARG  53          HH12      ARG  53   1.353  -3.372   9.961
  389   HH21  ARG  53          HH21      ARG  53   3.636  -5.653   8.471
  390   HH22  ARG  53          HH22      ARG  53   2.219  -5.517   9.422
  391    H    PHE  54           HN       PHE  54   7.794   0.197   6.202
  392    HA   PHE  54           HA       PHE  54   9.217  -2.282   5.645
  393    HB2  PHE  54           HB2      PHE  54   7.764  -0.393   3.810
  394    HB3  PHE  54           HB1      PHE  54   8.788  -1.687   3.221
  395    HD1  PHE  54           HD1      PHE  54   8.187  -4.061   4.391
  396    HD2  PHE  54           HD2      PHE  54   5.523  -0.791   3.846
  397    HE1  PHE  54           HE1      PHE  54   6.275  -5.600   4.516
  398    HE2  PHE  54           HE2      PHE  54   3.606  -2.330   3.969
  399    HZ   PHE  54           HZ       PHE  54   3.998  -4.754   4.301
  400    H    ASP  55           HN       ASP  55   9.763   1.006   6.106
  401    HA   ASP  55           HA       ASP  55  11.583   2.302   5.957
  402    HB2  ASP  55           HB2      ASP  55  12.745  -0.406   6.073
  403    HB3  ASP  55           HB1      ASP  55  13.797   0.865   5.464
  404    H    VAL  56           HN       VAL  56  10.177   1.324   3.539
  405    HA   VAL  56           HA       VAL  56  12.247   1.640   1.496
  406    HB   VAL  56           HB       VAL  56   9.363   0.716   1.312
  407   HG11  VAL  56          HG11      VAL  56   9.933   2.161  -0.657
  408   HG12  VAL  56          HG12      VAL  56   9.567   0.504  -1.054
  409   HG13  VAL  56          HG13      VAL  56  11.252   1.047  -1.023
  410   HG21  VAL  56          HG21      VAL  56  11.971  -0.511   0.693
  411   HG22  VAL  56          HG22      VAL  56  10.367  -1.265   0.497
  412   HG23  VAL  56          HG23      VAL  56  10.953  -0.802   2.113
  413    H    LYS  57           HN       LYS  57   9.685   3.175   2.943
  414    HA   LYS  57           HA       LYS  57   8.808   5.304   2.895
  415    HB2  LYS  57           HB2      LYS  57  11.203   5.924   3.175
  416    HB3  LYS  57           HB1      LYS  57  11.360   6.008   1.429
  417    HG2  LYS  57           HG2      LYS  57  11.132   8.243   2.257
  418    HG3  LYS  57           HG1      LYS  57   9.650   7.778   1.408
  419    HD2  LYS  57           HD2      LYS  57   9.119   8.971   3.456
  420    HD3  LYS  57           HD1      LYS  57   8.560   7.306   3.521
  421    HE2  LYS  57           HE2      LYS  57   9.507   7.929   5.649
  422    HE3  LYS  57           HE1      LYS  57  10.534   6.722   4.889
  423    HZ1  LYS  57           HZ1      LYS  57  11.777   8.495   5.915
  424    HZ2  LYS  57           HZ2      LYS  57  11.019   9.643   4.913
  425    HZ3  LYS  57           HZ3      LYS  57  12.063   8.502   4.238
  426    H    ILE  58           HN       ILE  58   7.006   4.983   1.611
  427    HA   ILE  58           HA       ILE  58   7.292   5.937  -1.145
  428    HB   ILE  58           HB       ILE  58   4.961   4.145  -0.416
  429   HG12  ILE  58          HG12      ILE  58   6.281   2.258  -1.624
  430   HG13  ILE  58          HG11      ILE  58   7.711   3.209  -1.220
  431   HG21  ILE  58          HG21      ILE  58   6.230   4.841  -3.038
  432   HG22  ILE  58          HG22      ILE  58   4.691   5.417  -2.399
  433   HG23  ILE  58          HG23      ILE  58   4.882   3.742  -2.813
  434   HD11  ILE  58          HD11      ILE  58   7.204   3.048   1.118
  435   HD12  ILE  58          HD12      ILE  58   7.357   1.439   0.390
  436   HD13  ILE  58          HD13      ILE  58   5.757   2.102   0.765
  437    HA   PRO  59           HA       PRO  59   4.645   8.817   1.197
  438    HB2  PRO  59           HB2      PRO  59   5.081  10.826  -0.625
  439    HB3  PRO  59           HB1      PRO  59   6.132  10.532   0.770
  440    HG2  PRO  59           HG2      PRO  59   6.445   9.631  -2.067
  441    HG3  PRO  59           HG1      PRO  59   7.676  10.340  -0.988
  442    HD2  PRO  59           HD2      PRO  59   7.546   7.706  -1.455
  443    HD3  PRO  59           HD1      PRO  59   7.910   8.334   0.171
  444    H    ASP  60           HN       ASP  60   2.593   9.777   0.508
  445    HA   ASP  60           HA       ASP  60   1.189   8.075  -1.222
  446    HB2  ASP  60           HB2      ASP  60  -0.790   9.383  -0.806
  447    HB3  ASP  60           HB1      ASP  60   0.114   9.355   0.678
  448    H    ASP  61           HN       ASP  61   2.801  11.067  -1.844
  449    HA   ASP  61           HA       ASP  61   1.669  11.628  -4.395
  450    HB2  ASP  61           HB2      ASP  61   2.908  13.331  -3.141
  451    HB3  ASP  61           HB1      ASP  61   4.377  12.373  -3.252
  452    H    ASP  62           HN       ASP  62   4.079   9.468  -3.363
  453    HA   ASP  62           HA       ASP  62   4.842   8.795  -6.131
  454    HB2  ASP  62           HB2      ASP  62   5.936   7.838  -3.490
  455    HB3  ASP  62           HB1      ASP  62   6.270   6.969  -4.982
  456    H    VAL  63           HN       VAL  63   3.144   7.575  -3.429
  457    HA   VAL  63           HA       VAL  63   2.648   4.976  -4.259
  458    HB   VAL  63           HB       VAL  63   2.052   6.489  -2.036
  459   HG11  VAL  63          HG11      VAL  63  -0.080   7.257  -2.862
  460   HG12  VAL  63          HG12      VAL  63  -0.319   6.143  -1.519
  461   HG13  VAL  63          HG13      VAL  63  -0.589   5.598  -3.173
  462   HG21  VAL  63          HG21      VAL  63   1.221   3.695  -2.705
  463   HG22  VAL  63          HG22      VAL  63   1.290   4.382  -1.080
  464   HG23  VAL  63          HG23      VAL  63   2.764   4.220  -2.035
  465    H    LYS  64           HN       LYS  64   1.217   7.866  -5.320
  466    HA   LYS  64           HA       LYS  64  -1.124   7.031  -6.343
  467    HB2  LYS  64           HB2      LYS  64  -0.963   8.811  -8.075
  468    HB3  LYS  64           HB1      LYS  64  -0.491   9.350  -6.462
  469    HG2  LYS  64           HG2      LYS  64   1.830   9.210  -7.070
  470    HG3  LYS  64           HG1      LYS  64   1.397   8.580  -8.659
  471    HD2  LYS  64           HD2      LYS  64   1.958  10.960  -8.693
  472    HD3  LYS  64           HD1      LYS  64   0.295  10.652  -9.224
  473    HE2  LYS  64           HE2      LYS  64  -0.522  11.363  -7.031
  474    HE3  LYS  64           HE1      LYS  64   1.137  11.570  -6.465
  475    HZ1  LYS  64           HZ1      LYS  64  -0.164  13.129  -8.643
  476    HZ2  LYS  64           HZ2      LYS  64   1.427  13.308  -8.112
  477    HZ3  LYS  64           HZ3      LYS  64   0.170  13.690  -7.082
  478    H    ASN  65           HN       ASN  65   2.046   6.464  -7.570
  479    HA   ASN  65           HA       ASN  65   1.203   5.547 -10.170
  480    HB2  ASN  65           HB2      ASN  65   3.880   5.123  -8.806
  481    HB3  ASN  65           HB1      ASN  65   3.541   4.873 -10.509
  482   HD21  ASN  65          HD21      ASN  65   4.289   7.121  -8.054
  483   HD22  ASN  65          HD22      ASN  65   4.503   8.506  -9.065
  484    H    LEU  66           HN       LEU  66   1.129   4.306  -7.079
  485    HA   LEU  66           HA       LEU  66   1.481   1.512  -7.905
  486    HB2  LEU  66           HB2      LEU  66   1.392   2.613  -5.143
  487    HB3  LEU  66           HB1      LEU  66   1.874   1.028  -5.719
  488    HG   LEU  66           HG       LEU  66   3.379   3.614  -6.132
  489   HD11  LEU  66          HD11      LEU  66   4.963   2.733  -4.475
  490   HD12  LEU  66          HD12      LEU  66   3.889   1.355  -4.213
  491   HD13  LEU  66          HD13      LEU  66   3.353   2.985  -3.808
  492   HD21  LEU  66          HD21      LEU  66   5.257   2.209  -6.805
  493   HD22  LEU  66          HD22      LEU  66   3.862   1.998  -7.863
  494   HD23  LEU  66          HD23      LEU  66   4.235   0.784  -6.638
  495    H    LYS  67           HN       LYS  67  -0.867   3.087  -8.311
  496    HA   LYS  67           HA       LYS  67  -2.899   3.004  -6.483
  497    HB2  LYS  67           HB2      LYS  67  -4.461   2.711  -8.373
  498    HB3  LYS  67           HB1      LYS  67  -3.242   3.964  -8.611
  499    HG2  LYS  67           HG2      LYS  67  -2.063   2.718 -10.130
  500    HG3  LYS  67           HG1      LYS  67  -2.793   1.195  -9.635
  501    HD2  LYS  67           HD2      LYS  67  -3.727   1.889 -11.778
  502    HD3  LYS  67           HD1      LYS  67  -4.970   2.069 -10.538
  503    HE2  LYS  67           HE2      LYS  67  -4.243   4.493 -10.365
  504    HE3  LYS  67           HE1      LYS  67  -3.309   4.215 -11.835
  505    HZ1  LYS  67           HZ1      LYS  67  -5.396   5.092 -12.462
  506    HZ2  LYS  67           HZ2      LYS  67  -6.214   4.023 -11.453
  507    HZ3  LYS  67           HZ3      LYS  67  -5.449   3.437 -12.854
  508    H    THR  68           HN       THR  68  -1.420   0.120  -7.736
  509    HA   THR  68           HA       THR  68  -3.646  -1.352  -6.624
  510    HB   THR  68           HB       THR  68  -2.819  -3.305  -7.736
  511    HG1  THR  68           HG1      THR  68  -1.417  -2.065  -9.731
  512   HG21  THR  68          HG21      THR  68  -4.643  -2.098  -8.740
  513   HG22  THR  68          HG22      THR  68  -3.614  -2.739 -10.024
  514   HG23  THR  68          HG23      THR  68  -3.523  -1.029  -9.582
  515    H    VAL  69           HN       VAL  69  -3.112  -3.330  -5.549
  516    HA   VAL  69           HA       VAL  69  -1.296  -2.984  -3.457
  517    HB   VAL  69           HB       VAL  69  -2.157  -5.643  -4.544
  518   HG11  VAL  69          HG11      VAL  69  -1.845  -6.314  -2.227
  519   HG12  VAL  69          HG12      VAL  69  -1.451  -4.607  -1.855
  520   HG13  VAL  69          HG13      VAL  69  -0.407  -5.519  -2.947
  521   HG21  VAL  69          HG21      VAL  69  -4.086  -5.528  -3.027
  522   HG22  VAL  69          HG22      VAL  69  -4.164  -4.265  -4.254
  523   HG23  VAL  69          HG23      VAL  69  -3.659  -3.868  -2.612
  524    H    GLY  70           HN       GLY  70  -1.057  -4.977  -6.351
  525    HA2  GLY  70           HA2      GLY  70   1.498  -6.030  -5.788
  526    HA3  GLY  70           HA1      GLY  70   0.641  -6.109  -7.320
  527    H    ASP  71           HN       ASP  71   0.443  -3.094  -7.302
  528    HA   ASP  71           HA       ASP  71   2.915  -2.635  -8.676
  529    HB2  ASP  71           HB2      ASP  71   0.512  -1.439  -8.917
  530    HB3  ASP  71           HB1      ASP  71   1.268  -0.450  -7.683
  531    H    ALA  72           HN       ALA  72   1.407  -1.634  -5.667
  532    HA   ALA  72           HA       ALA  72   3.507  -0.076  -4.582
  533    HB1  ALA  72           HB1      ALA  72   2.493  -0.597  -2.439
  534    HB2  ALA  72           HB2      ALA  72   1.516  -1.859  -3.189
  535    HB3  ALA  72           HB3      ALA  72   1.264  -0.168  -3.625
  536    H    THR  73           HN       THR  73   2.665  -3.458  -4.264
  537    HA   THR  73           HA       THR  73   4.826  -4.274  -2.706
  538    HB   THR  73           HB       THR  73   3.184  -5.905  -4.669
  539    HG1  THR  73           HG1      THR  73   1.823  -4.919  -3.176
  540   HG21  THR  73          HG21      THR  73   4.711  -6.745  -2.202
  541   HG22  THR  73          HG22      THR  73   5.184  -7.095  -3.865
  542   HG23  THR  73          HG23      THR  73   3.703  -7.792  -3.200
  543    H    LYS  74           HN       LYS  74   4.651  -3.538  -6.063
  544    HA   LYS  74           HA       LYS  74   6.894  -5.057  -6.970
  545    HB2  LYS  74           HB2      LYS  74   4.918  -3.801  -8.255
  546    HB3  LYS  74           HB1      LYS  74   6.042  -2.460  -8.196
  547    HG2  LYS  74           HG2      LYS  74   6.402  -3.430 -10.275
  548    HG3  LYS  74           HG1      LYS  74   7.717  -4.068  -9.280
  549    HD2  LYS  74           HD2      LYS  74   6.748  -5.874 -10.576
  550    HD3  LYS  74           HD1      LYS  74   6.366  -6.092  -8.861
  551    HE2  LYS  74           HE2      LYS  74   4.144  -5.117  -9.226
  552    HE3  LYS  74           HE1      LYS  74   4.507  -4.914 -10.939
  553    HZ1  LYS  74           HZ1      LYS  74   3.202  -6.903 -10.582
  554    HZ2  LYS  74           HZ2      LYS  74   4.305  -7.464  -9.445
  555    HZ3  LYS  74           HZ3      LYS  74   4.766  -7.370 -11.057
  556    H    TYR  75           HN       TYR  75   6.262  -1.637  -6.306
  557    HA   TYR  75           HA       TYR  75   8.832  -0.627  -6.476
  558    HB2  TYR  75           HB2      TYR  75   6.688   0.635  -6.566
  559    HB3  TYR  75           HB1      TYR  75   6.494   0.316  -4.847
  560    HD1  TYR  75           HD1      TYR  75   8.647   2.064  -7.319
  561    HD2  TYR  75           HD2      TYR  75   7.496   1.669  -3.250
  562    HE1  TYR  75           HE1      TYR  75   9.848   4.093  -6.802
  563    HE2  TYR  75           HE2      TYR  75   8.713   3.711  -2.701
  564    HH   TYR  75           HH       TYR  75   9.741   5.862  -5.087
  565    H    ILE  76           HN       ILE  76   6.918  -1.700  -3.714
  566    HA   ILE  76           HA       ILE  76   8.804  -0.899  -1.826
  567    HB   ILE  76           HB       ILE  76   6.471  -2.807  -1.447
  568   HG12  ILE  76          HG12      ILE  76   6.741   0.145  -0.843
  569   HG13  ILE  76          HG11      ILE  76   5.902  -0.524  -2.233
  570   HG21  ILE  76          HG21      ILE  76   8.129  -3.071   0.347
  571   HG22  ILE  76          HG22      ILE  76   6.671  -2.281   0.951
  572   HG23  ILE  76          HG23      ILE  76   8.117  -1.328   0.620
  573   HD11  ILE  76          HD11      ILE  76   5.149  -0.921   0.653
  574   HD12  ILE  76          HD12      ILE  76   4.295  -1.596  -0.740
  575   HD13  ILE  76          HD13      ILE  76   4.360   0.152  -0.506
  576    H    LEU  77           HN       LEU  77   8.381  -3.936  -3.515
  577    HA   LEU  77           HA       LEU  77  10.081  -5.352  -1.729
  578    HB2  LEU  77           HB2      LEU  77   8.279  -6.345  -3.098
  579    HB3  LEU  77           HB1      LEU  77   9.244  -6.114  -4.543
  580    HG   LEU  77           HG       LEU  77  10.087  -7.865  -2.226
  581   HD11  LEU  77          HD11      LEU  77   9.278  -9.756  -3.589
  582   HD12  LEU  77          HD12      LEU  77   8.618  -8.609  -4.760
  583   HD13  LEU  77          HD13      LEU  77   7.974  -8.668  -3.117
  584   HD21  LEU  77          HD21      LEU  77  11.897  -7.201  -3.751
  585   HD22  LEU  77          HD22      LEU  77  10.964  -7.803  -5.124
  586   HD23  LEU  77          HD23      LEU  77  11.552  -8.924  -3.897
  587    H    ASP  78           HN       ASP  78  10.282  -3.908  -4.945
  588    HA   ASP  78           HA       ASP  78  12.932  -4.556  -5.656
  589    HB2  ASP  78           HB2      ASP  78  11.191  -3.797  -7.233
  590    HB3  ASP  78           HB1      ASP  78  11.211  -2.209  -6.490
  591    H    HIS  79           HN       HIS  79  11.565  -1.963  -3.794
  592    HA   HIS  79           HA       HIS  79  14.160  -0.650  -3.563
  593    HB2  HIS  79           HB2      HIS  79  11.383   0.386  -3.084
  594    HB3  HIS  79           HB1      HIS  79  12.793   1.228  -2.474
  595    HD1  HIS  79           HD1      HIS  79  13.597   3.027  -3.985
  596    HD2  HIS  79           HD2      HIS  79  11.631   0.012  -6.079
  597    HE1  HIS  79           HE1      HIS  79  13.483   3.812  -6.360
  598    HE2  HIS  79           HE2      HIS  79  12.059   2.093  -7.529
  599    H    GLN  80           HN       GLN  80  12.766  -3.030  -1.957
  600    HA   GLN  80           HA       GLN  80  12.433  -2.549   0.692
  601    HB2  GLN  80           HB2      GLN  80  13.844  -4.761  -0.731
  602    HB3  GLN  80           HB1      GLN  80  13.939  -4.704   1.008
  603    HG2  GLN  80           HG2      GLN  80  11.454  -4.975  -0.658
  604    HG3  GLN  80           HG1      GLN  80  12.271  -6.256   0.235
  605   HE21  GLN  80          HE21      GLN  80  10.042  -3.779   0.358
  606   HE22  GLN  80          HE22      GLN  80   9.621  -3.953   2.036
  607    H    ALA  81           HN       ALA  81  13.700  -1.838   2.360
  608    HA   ALA  81           HA       ALA  81  16.566  -1.548   1.892
  609    HB1  ALA  81           HB1      ALA  81  16.483   0.193   3.634
  610    HB2  ALA  81           HB2      ALA  81  14.747  -0.059   3.796
  611    HB3  ALA  81           HB3      ALA  81  15.407   0.581   2.290
  612    H28  SXH 101          H28B      SXH 101  -5.493   9.660  -2.798
  613   H28A  SXH 101          H28A      SXH 101  -5.890   9.555  -1.098
  614    H30  SXH 101          H30C      SXH 101  -3.550  12.804  -2.369
  615   H30A  SXH 101          H30A      SXH 101  -5.271  12.725  -2.763
  616   H30B  SXH 101          H30B      SXH 101  -4.146  11.606  -3.528
  617    H31  SXH 101          H31A      SXH 101  -4.189  12.572   0.045
  618   H31A  SXH 101          H31C      SXH 101  -5.882  12.493  -0.447
  619   H31B  SXH 101          H31B      SXH 101  -5.190  11.210   0.546
  620    H32  SXH 101          H32A      SXH 101  -2.431  10.956  -1.045
  621   HO33  SXH 101          H33A      SXH 101  -3.486   8.596  -0.529
  622   HN36  SXH 101          H36A      SXH 101  -2.232  10.802  -3.386
  623    H37  SXH 101          H37A      SXH 101  -1.201   9.581  -4.935
  624   H37A  SXH 101          H37B      SXH 101  -1.765   8.058  -4.228
  625    H38  SXH 101          H38A      SXH 101  -3.581  10.088  -5.580
  626   H38A  SXH 101          H38B      SXH 101  -2.608   9.007  -6.524
  627   HN41  SXH 101          H41A      SXH 101  -3.303   7.215  -3.923
  628    H42  SXH 101          H42A      SXH 101  -5.769   6.315  -3.771
  629   H42A  SXH 101          H42B      SXH 101  -5.270   5.672  -5.330
  630    H43  SXH 101          H43A      SXH 101  -4.841   3.958  -3.689
  631   H43A  SXH 101          H43B      SXH 101  -4.060   5.178  -2.669
  632    H2   SXH 101           H2A      SXH 101  -0.830   3.393  -2.459
  633    H2A  SXH 101           H2B      SXH 101  -0.508   2.539  -3.947
  634    H3   SXH 101           H3A      SXH 101  -1.246   0.494  -3.180
  635    H3A  SXH 101           H3B      SXH 101  -2.049   1.193  -1.767
  636    H4   SXH 101           H4B      SXH 101   0.084   0.000  -1.235
  637    H4A  SXH 101           H4A      SXH 101   0.938   1.204  -2.196
  638    H5   SXH 101           H5A      SXH 101  -0.676   1.719   0.313
  639    H5A  SXH 101           H5B      SXH 101   0.101   2.966  -0.679
  640    H6   SXH 101           H6C      SXH 101   1.473   2.350   1.253
  641    H6A  SXH 101           H6A      SXH 101   2.268   1.929  -0.266
  642    H6B  SXH 101           H6B      SXH 101   1.492   0.675   0.699
  Start of MODEL   15
    1    H1   ALA   1           HT1      ALA   1  13.471  -5.522   5.119
    2    H2   ALA   1           HT2      ALA   1  15.032  -5.843   4.520
    3    H3   ALA   1           HT3      ALA   1  14.098  -7.086   5.233
    4    HA   ALA   1           HA       ALA   1  13.396  -5.639   2.786
    5    HB1  ALA   1           HB1      ALA   1  13.855  -7.752   1.649
    6    HB2  ALA   1           HB2      ALA   1  14.382  -8.464   3.177
    7    HB3  ALA   1           HB3      ALA   1  15.298  -7.138   2.455
    8    H    ALA   2           HN       ALA   2  11.806  -7.469   1.646
    9    HA   ALA   2           HA       ALA   2   9.980  -8.612   3.546
   10    HB1  ALA   2           HB1      ALA   2   9.054  -6.314   1.811
   11    HB2  ALA   2           HB2      ALA   2   9.214  -6.284   3.568
   12    HB3  ALA   2           HB3      ALA   2   8.020  -7.336   2.810
   13    H    THR   3           HN       THR   3   7.873  -9.298   2.034
   14    HA   THR   3           HA       THR   3   8.981 -10.283  -0.467
   15    HB   THR   3           HB       THR   3   7.697 -12.386  -0.036
   16    HG1  THR   3           HG1      THR   3   7.011 -12.769   2.122
   17   HG21  THR   3          HG21      THR   3   9.273 -13.381   1.583
   18   HG22  THR   3          HG22      THR   3   9.789 -11.763   2.065
   19   HG23  THR   3          HG23      THR   3  10.117 -12.341   0.433
   20    H    GLN   4           HN       GLN   4   6.776 -11.426  -1.480
   21    HA   GLN   4           HA       GLN   4   4.983  -9.348  -2.035
   22    HB2  GLN   4           HB2      GLN   4   5.275 -11.278  -3.536
   23    HB3  GLN   4           HB1      GLN   4   4.687 -12.362  -2.300
   24    HG2  GLN   4           HG2      GLN   4   2.912 -10.225  -3.461
   25    HG3  GLN   4           HG1      GLN   4   3.166 -11.750  -4.291
   26   HE21  GLN   4          HE21      GLN   4   1.674 -10.187  -1.600
   27   HE22  GLN   4          HE22      GLN   4   0.686 -11.481  -1.067
   28    H    GLU   5           HN       GLU   5   4.780 -12.155   0.093
   29    HA   GLU   5           HA       GLU   5   2.229 -11.574   1.098
   30    HB2  GLU   5           HB2      GLU   5   4.445 -13.149   2.392
   31    HB3  GLU   5           HB1      GLU   5   2.764 -13.143   2.910
   32    HG2  GLU   5           HG2      GLU   5   2.104 -14.064   0.742
   33    HG3  GLU   5           HG1      GLU   5   3.796 -14.093   0.250
   34    H    GLU   6           HN       GLU   6   5.407 -10.671   2.280
   35    HA   GLU   6           HA       GLU   6   4.485  -9.543   4.710
   36    HB2  GLU   6           HB2      GLU   6   6.998  -8.965   3.183
   37    HB3  GLU   6           HB1      GLU   6   6.628  -8.269   4.751
   38    HG2  GLU   6           HG2      GLU   6   6.780 -11.159   4.127
   39    HG3  GLU   6           HG1      GLU   6   8.080 -10.237   4.918
   40    H    ILE   7           HN       ILE   7   5.367  -7.869   1.653
   41    HA   ILE   7           HA       ILE   7   4.636  -5.343   2.502
   42    HB   ILE   7           HB       ILE   7   4.503  -6.546  -0.265
   43   HG12  ILE   7          HG12      ILE   7   6.623  -4.903   1.111
   44   HG13  ILE   7          HG11      ILE   7   6.680  -6.644   0.871
   45   HG21  ILE   7          HG21      ILE   7   3.153  -4.491  -0.103
   46   HG22  ILE   7          HG22      ILE   7   4.610  -4.217  -1.059
   47   HG23  ILE   7          HG23      ILE   7   4.527  -3.643   0.608
   48   HD11  ILE   7          HD11      ILE   7   6.600  -4.574  -1.280
   49   HD12  ILE   7          HD12      ILE   7   6.660  -6.322  -1.517
   50   HD13  ILE   7          HD13      ILE   7   8.014  -5.484  -0.755
   51    H    VAL   8           HN       VAL   8   2.767  -7.743   0.757
   52    HA   VAL   8           HA       VAL   8   0.429  -6.206   0.598
   53    HB   VAL   8           HB       VAL   8   0.749  -9.218   0.467
   54   HG11  VAL   8          HG11      VAL   8  -1.643  -7.523  -0.264
   55   HG12  VAL   8          HG12      VAL   8  -1.553  -8.631   1.104
   56   HG13  VAL   8          HG13      VAL   8  -1.480  -9.257  -0.545
   57   HG21  VAL   8          HG21      VAL   8   0.454  -8.811  -1.950
   58   HG22  VAL   8          HG22      VAL   8   1.891  -8.044  -1.283
   59   HG23  VAL   8          HG23      VAL   8   0.463  -7.073  -1.628
   60    H    ALA   9           HN       ALA   9   1.354  -8.654   3.077
   61    HA   ALA   9           HA       ALA   9  -1.087  -8.399   4.500
   62    HB1  ALA   9           HB1      ALA   9   0.052  -9.553   6.321
   63    HB2  ALA   9           HB2      ALA   9   1.607  -9.284   5.537
   64    HB3  ALA   9           HB3      ALA   9   0.406 -10.332   4.779
   65    H    GLY  10           HN       GLY  10   1.875  -6.572   4.500
   66    HA2  GLY  10           HA2      GLY  10   1.458  -5.266   6.972
   67    HA3  GLY  10           HA1      GLY  10   2.614  -4.820   5.720
   68    H    LEU  11           HN       LEU  11   1.037  -4.382   3.577
   69    HA   LEU  11           HA       LEU  11  -0.117  -1.835   4.088
   70    HB2  LEU  11           HB2      LEU  11  -0.596  -3.742   1.790
   71    HB3  LEU  11           HB1      LEU  11  -1.106  -2.072   1.833
   72    HG   LEU  11           HG       LEU  11   1.757  -3.031   1.809
   73   HD11  LEU  11          HD11      LEU  11   0.620  -3.424  -0.304
   74   HD12  LEU  11          HD12      LEU  11   1.794  -2.120  -0.463
   75   HD13  LEU  11          HD13      LEU  11   0.072  -1.749  -0.338
   76   HD21  LEU  11          HD21      LEU  11   1.500  -0.919   3.006
   77   HD22  LEU  11          HD22      LEU  11   0.601  -0.247   1.648
   78   HD23  LEU  11          HD23      LEU  11   2.306  -0.664   1.458
   79    H    ALA  12           HN       ALA  12  -1.518  -5.045   3.621
   80    HA   ALA  12           HA       ALA  12  -4.155  -4.269   3.784
   81    HB1  ALA  12           HB1      ALA  12  -4.713  -6.518   4.288
   82    HB2  ALA  12           HB2      ALA  12  -3.031  -6.892   4.701
   83    HB3  ALA  12           HB3      ALA  12  -3.473  -6.468   3.033
   84    H    GLU  13           HN       GLU  13  -2.041  -5.389   6.478
   85    HA   GLU  13           HA       GLU  13  -4.042  -5.286   8.417
   86    HB2  GLU  13           HB2      GLU  13  -2.290  -5.164  10.135
   87    HB3  GLU  13           HB1      GLU  13  -1.896  -6.351   8.906
   88    HG2  GLU  13           HG2      GLU  13  -0.305  -4.867   7.911
   89    HG3  GLU  13           HG1      GLU  13  -0.763  -3.564   8.997
   90    H    ILE  14           HN       ILE  14  -2.262  -2.740   7.051
   91    HA   ILE  14           HA       ILE  14  -3.179  -0.756   8.946
   92    HB   ILE  14           HB       ILE  14  -1.990  -0.339   6.173
   93   HG12  ILE  14          HG12      ILE  14  -0.497  -0.346   8.798
   94   HG13  ILE  14          HG11      ILE  14  -0.627  -1.778   7.780
   95   HG21  ILE  14          HG21      ILE  14  -2.093   1.384   8.677
   96   HG22  ILE  14          HG22      ILE  14  -3.065   1.635   7.224
   97   HG23  ILE  14          HG23      ILE  14  -1.313   1.828   7.159
   98   HD11  ILE  14          HD11      ILE  14   0.596   0.853   6.970
   99   HD12  ILE  14          HD12      ILE  14   0.465  -0.603   5.975
  100   HD13  ILE  14          HD13      ILE  14   1.473  -0.617   7.416
  101    H    VAL  15           HN       VAL  15  -3.897  -1.533   5.517
  102    HA   VAL  15           HA       VAL  15  -5.943   0.278   5.002
  103    HB   VAL  15           HB       VAL  15  -5.560  -2.476   3.784
  104   HG11  VAL  15          HG11      VAL  15  -6.764  -1.583   1.846
  105   HG12  VAL  15          HG12      VAL  15  -7.049  -0.077   2.716
  106   HG13  VAL  15          HG13      VAL  15  -7.772  -1.580   3.288
  107   HG21  VAL  15          HG21      VAL  15  -4.560   0.200   2.836
  108   HG22  VAL  15          HG22      VAL  15  -4.379  -1.376   2.034
  109   HG23  VAL  15          HG23      VAL  15  -3.587  -1.082   3.579
  110    H    ASN  16           HN       ASN  16  -6.034  -2.927   6.443
  111    HA   ASN  16           HA       ASN  16  -8.770  -3.506   6.397
  112    HB2  ASN  16           HB2      ASN  16  -6.952  -4.100   8.760
  113    HB3  ASN  16           HB1      ASN  16  -8.468  -4.870   8.364
  114   HD21  ASN  16          HD21      ASN  16  -7.540  -5.152   5.454
  115   HD22  ASN  16          HD22      ASN  16  -6.433  -6.455   5.594
  116    H    GLU  17           HN       GLU  17  -6.840  -1.636   8.646
  117    HA   GLU  17           HA       GLU  17  -9.031  -1.286  10.440
  118    HB2  GLU  17           HB2      GLU  17  -6.260  -0.129  10.501
  119    HB3  GLU  17           HB1      GLU  17  -7.435  -0.062  11.809
  120    HG2  GLU  17           HG2      GLU  17  -6.178  -2.541  10.652
  121    HG3  GLU  17           HG1      GLU  17  -5.821  -1.812  12.214
  122    H    ILE  18           HN       ILE  18  -7.380   0.742   8.049
  123    HA   ILE  18           HA       ILE  18  -8.980   3.006   8.996
  124    HB   ILE  18           HB       ILE  18  -7.223   3.072   6.549
  125   HG12  ILE  18          HG12      ILE  18  -6.295   3.810   9.320
  126   HG13  ILE  18          HG11      ILE  18  -5.922   2.229   8.597
  127   HG21  ILE  18          HG21      ILE  18  -8.191   5.107   8.569
  128   HG22  ILE  18          HG22      ILE  18  -8.664   4.999   6.867
  129   HG23  ILE  18          HG23      ILE  18  -7.016   5.460   7.314
  130   HD11  ILE  18          HD11      ILE  18  -4.772   3.396   6.800
  131   HD12  ILE  18          HD12      ILE  18  -4.100   3.857   8.372
  132   HD13  ILE  18          HD13      ILE  18  -5.207   4.935   7.512
  133    H    ALA  19           HN       ALA  19  -8.500   1.351   5.794
  134    HA   ALA  19           HA       ALA  19 -10.925   2.571   4.800
  135    HB1  ALA  19           HB1      ALA  19 -10.575   1.254   2.758
  136    HB2  ALA  19           HB2      ALA  19  -9.313   0.325   3.552
  137    HB3  ALA  19           HB3      ALA  19  -9.079   2.047   3.243
  138    H    GLY  20           HN       GLY  20  -9.975  -0.706   5.667
  139    HA2  GLY  20           HA2      GLY  20 -11.578  -2.074   6.889
  140    HA3  GLY  20           HA1      GLY  20 -12.840  -1.365   5.887
  141    H    ILE  21           HN       ILE  21 -10.031  -1.999   4.131
  142    HA   ILE  21           HA       ILE  21 -11.337  -4.019   2.598
  143    HB   ILE  21           HB       ILE  21  -8.500  -2.993   2.461
  144   HG12  ILE  21          HG12      ILE  21 -10.071  -1.241   2.048
  145   HG13  ILE  21          HG11      ILE  21  -9.457  -1.782   0.482
  146   HG21  ILE  21          HG21      ILE  21  -8.466  -4.034   0.256
  147   HG22  ILE  21          HG22      ILE  21 -10.118  -4.630   0.492
  148   HG23  ILE  21          HG23      ILE  21  -8.806  -5.245   1.489
  149   HD11  ILE  21          HD11      ILE  21 -11.843  -1.447   0.382
  150   HD12  ILE  21          HD12      ILE  21 -12.047  -2.564   1.747
  151   HD13  ILE  21          HD13      ILE  21 -11.432  -3.163   0.208
  152    HA   PRO  22           HA       PRO  22  -9.807  -7.273   5.453
  153    HB2  PRO  22           HB2      PRO  22 -10.481  -8.964   3.090
  154    HB3  PRO  22           HB1      PRO  22 -10.938  -9.163   4.791
  155    HG2  PRO  22           HG2      PRO  22 -12.733  -8.278   3.100
  156    HG3  PRO  22           HG1      PRO  22 -12.544  -7.488   4.683
  157    HD2  PRO  22           HD2      PRO  22 -11.519  -6.581   2.011
  158    HD3  PRO  22           HD1      PRO  22 -12.353  -5.641   3.271
  159    H    VAL  23           HN       VAL  23  -8.146  -8.868   5.556
  160    HA   VAL  23           HA       VAL  23  -5.780  -8.074   4.365
  161    HB   VAL  23           HB       VAL  23  -4.693 -10.079   5.342
  162   HG11  VAL  23          HG11      VAL  23  -6.636  -8.735   7.175
  163   HG12  VAL  23          HG12      VAL  23  -5.031  -8.155   6.728
  164   HG13  VAL  23          HG13      VAL  23  -5.207  -9.635   7.673
  165   HG21  VAL  23          HG21      VAL  23  -6.423 -11.743   4.975
  166   HG22  VAL  23          HG22      VAL  23  -7.489 -10.913   6.104
  167   HG23  VAL  23          HG23      VAL  23  -6.005 -11.670   6.689
  168    H    GLU  24           HN       GLU  24  -8.132 -10.391   3.432
  169    HA   GLU  24           HA       GLU  24  -6.367 -11.624   1.471
  170    HB2  GLU  24           HB2      GLU  24  -8.166 -13.227   1.104
  171    HB3  GLU  24           HB1      GLU  24  -7.680 -13.161   2.790
  172    HG2  GLU  24           HG2      GLU  24  -9.634 -12.054   3.425
  173    HG3  GLU  24           HG1      GLU  24 -10.024 -11.612   1.760
  174    H    ASP  25           HN       ASP  25  -8.365  -8.965   1.586
  175    HA   ASP  25           HA       ASP  25  -9.385  -9.466  -1.073
  176    HB2  ASP  25           HB2      ASP  25 -10.793  -8.336   0.752
  177    HB3  ASP  25           HB1      ASP  25  -9.743  -6.939   0.558
  178    H    VAL  26           HN       VAL  26  -7.246  -7.261   0.700
  179    HA   VAL  26           HA       VAL  26  -5.989  -6.031  -1.469
  180    HB   VAL  26           HB       VAL  26  -4.939  -6.825   1.289
  181   HG11  VAL  26          HG11      VAL  26  -3.764  -4.819  -0.631
  182   HG12  VAL  26          HG12      VAL  26  -3.068  -6.381  -0.205
  183   HG13  VAL  26          HG13      VAL  26  -3.222  -5.125   1.021
  184   HG21  VAL  26          HG21      VAL  26  -5.369  -4.462   1.873
  185   HG22  VAL  26          HG22      VAL  26  -6.828  -5.353   1.436
  186   HG23  VAL  26          HG23      VAL  26  -6.106  -4.242   0.283
  187    H    LYS  27           HN       LYS  27  -5.494  -7.535  -3.096
  188    HA   LYS  27           HA       LYS  27  -3.630  -9.683  -2.368
  189    HB2  LYS  27           HB2      LYS  27  -5.538  -9.490  -4.661
  190    HB3  LYS  27           HB1      LYS  27  -4.305 -10.757  -4.564
  191    HG2  LYS  27           HG2      LYS  27  -5.367 -11.513  -2.457
  192    HG3  LYS  27           HG1      LYS  27  -6.593 -10.262  -2.657
  193    HD2  LYS  27           HD2      LYS  27  -7.237 -11.277  -4.815
  194    HD3  LYS  27           HD1      LYS  27  -6.055 -12.560  -4.538
  195    HE2  LYS  27           HE2      LYS  27  -8.387 -11.931  -2.731
  196    HE3  LYS  27           HE1      LYS  27  -8.373 -13.213  -3.937
  197    HZ1  LYS  27           HZ1      LYS  27  -6.624 -14.325  -2.720
  198    HZ2  LYS  27           HZ2      LYS  27  -7.902 -14.002  -1.685
  199    HZ3  LYS  27           HZ3      LYS  27  -6.508 -13.068  -1.598
  200    H    LEU  28           HN       LEU  28  -3.864  -8.856  -5.662
  201    HA   LEU  28           HA       LEU  28  -1.339  -7.299  -5.480
  202    HB2  LEU  28           HB2      LEU  28  -1.943  -9.422  -7.529
  203    HB3  LEU  28           HB1      LEU  28  -0.514  -8.413  -7.496
  204    HG   LEU  28           HG       LEU  28  -1.277 -10.410  -5.430
  205   HD11  LEU  28          HD11      LEU  28   0.806 -10.543  -7.633
  206   HD12  LEU  28          HD12      LEU  28  -0.674 -11.495  -7.546
  207   HD13  LEU  28          HD13      LEU  28   0.611 -11.754  -6.366
  208   HD21  LEU  28          HD21      LEU  28   1.261  -8.810  -5.791
  209   HD22  LEU  28          HD22      LEU  28   1.039 -10.085  -4.590
  210   HD23  LEU  28          HD23      LEU  28   0.069  -8.615  -4.508
  211    H    ASP  29           HN       ASP  29  -3.580  -8.434  -7.948
  212    HA   ASP  29           HA       ASP  29  -3.352  -5.878  -9.305
  213    HB2  ASP  29           HB2      ASP  29  -3.110  -7.983 -10.538
  214    HB3  ASP  29           HB1      ASP  29  -4.733  -8.455 -10.058
  215    H    LYS  30           HN       LYS  30  -4.484  -5.866  -6.885
  216    HA   LYS  30           HA       LYS  30  -7.323  -5.459  -7.255
  217    HB2  LYS  30           HB2      LYS  30  -5.656  -6.526  -5.047
  218    HB3  LYS  30           HB1      LYS  30  -6.928  -5.414  -4.587
  219    HG2  LYS  30           HG2      LYS  30  -7.571  -7.792  -4.449
  220    HG3  LYS  30           HG1      LYS  30  -8.607  -6.832  -5.498
  221    HD2  LYS  30           HD2      LYS  30  -7.453  -7.717  -7.438
  222    HD3  LYS  30           HD1      LYS  30  -6.389  -8.660  -6.398
  223    HE2  LYS  30           HE2      LYS  30  -8.157 -10.087  -7.216
  224    HE3  LYS  30           HE1      LYS  30  -8.406  -9.813  -5.493
  225    HZ1  LYS  30           HZ1      LYS  30 -10.000  -7.973  -6.214
  226    HZ2  LYS  30           HZ2      LYS  30 -10.492  -9.548  -6.472
  227    HZ3  LYS  30           HZ3      LYS  30  -9.885  -8.641  -7.767
  228    H    SER  31           HN       SER  31  -7.115  -3.526  -8.028
  229    HA   SER  31           HA       SER  31  -5.455  -1.473  -7.147
  230    HB2  SER  31           HB2      SER  31  -8.211  -1.106  -8.307
  231    HB3  SER  31           HB1      SER  31  -6.770  -0.110  -8.540
  232    HG   SER  31           HG       SER  31  -7.616  -2.312  -9.878
  233    H    PHE  32           HN       PHE  32  -5.501  -0.737  -5.163
  234    HA   PHE  32           HA       PHE  32  -7.365  -1.159  -3.225
  235    HB2  PHE  32           HB2      PHE  32  -5.395   1.011  -3.586
  236    HB3  PHE  32           HB1      PHE  32  -6.498   1.067  -2.209
  237    HD1  PHE  32           HD1      PHE  32  -6.369  -0.731  -0.461
  238    HD2  PHE  32           HD2      PHE  32  -3.619  -0.450  -3.712
  239    HE1  PHE  32           HE1      PHE  32  -4.877  -2.243   0.674
  240    HE2  PHE  32           HE2      PHE  32  -2.089  -1.959  -2.571
  241    HZ   PHE  32           HZ       PHE  32  -2.750  -2.771  -0.165
  242    H    THR  33           HN       THR  33  -7.123   2.043  -4.899
  243    HA   THR  33           HA       THR  33  -9.731   2.822  -4.171
  244    HB   THR  33           HB       THR  33  -8.769   4.417  -6.233
  245    HG1  THR  33           HG1      THR  33  -6.662   3.979  -6.315
  246   HG21  THR  33          HG21      THR  33  -8.254   4.616  -3.252
  247   HG22  THR  33          HG22      THR  33  -9.709   5.181  -4.075
  248   HG23  THR  33          HG23      THR  33  -8.157   5.950  -4.403
  249    H    ASP  34           HN       ASP  34 -10.114   0.384  -5.539
  250    HA   ASP  34           HA       ASP  34 -11.932   1.158  -7.585
  251    HB2  ASP  34           HB2      ASP  34  -9.901   1.388  -8.952
  252    HB3  ASP  34           HB1      ASP  34  -9.456  -0.272  -8.594
  253    H    ASP  35           HN       ASP  35  -9.911  -1.632  -6.737
  254    HA   ASP  35           HA       ASP  35 -12.120  -3.477  -7.251
  255    HB2  ASP  35           HB2      ASP  35  -9.669  -4.009  -7.807
  256    HB3  ASP  35           HB1      ASP  35  -9.398  -4.159  -6.100
  257    H    LEU  36           HN       LEU  36 -10.108  -2.410  -4.686
  258    HA   LEU  36           HA       LEU  36 -11.311  -4.108  -2.693
  259    HB2  LEU  36           HB2      LEU  36  -9.319  -1.868  -2.425
  260    HB3  LEU  36           HB1      LEU  36  -9.680  -3.092  -1.231
  261    HG   LEU  36           HG       LEU  36  -8.280  -3.469  -3.867
  262   HD11  LEU  36          HD11      LEU  36  -6.451  -4.236  -2.522
  263   HD12  LEU  36          HD12      LEU  36  -7.374  -3.886  -1.059
  264   HD13  LEU  36          HD13      LEU  36  -6.896  -2.574  -2.137
  265   HD21  LEU  36          HD21      LEU  36  -8.110  -5.808  -3.285
  266   HD22  LEU  36          HD22      LEU  36  -9.789  -5.312  -3.498
  267   HD23  LEU  36          HD23      LEU  36  -9.133  -5.535  -1.877
  268    H    ASP  37           HN       ASP  37 -10.609  -0.818  -2.699
  269    HA   ASP  37           HA       ASP  37 -11.914   1.055  -2.706
  270    HB2  ASP  37           HB2      ASP  37 -14.144   0.074  -2.720
  271    HB3  ASP  37           HB1      ASP  37 -13.994  -0.370  -1.027
  272    H    VAL  38           HN       VAL  38 -10.006   1.385  -1.885
  273    HA   VAL  38           HA       VAL  38  -9.895   1.674   0.985
  274    HB   VAL  38           HB       VAL  38  -7.847   1.149  -0.486
  275   HG11  VAL  38          HG11      VAL  38  -6.659   3.022  -1.497
  276   HG12  VAL  38          HG12      VAL  38  -8.050   4.059  -1.168
  277   HG13  VAL  38          HG13      VAL  38  -8.210   2.695  -2.272
  278   HG21  VAL  38          HG21      VAL  38  -7.570   1.797   1.821
  279   HG22  VAL  38          HG22      VAL  38  -7.662   3.503   1.377
  280   HG23  VAL  38          HG23      VAL  38  -6.300   2.522   0.834
  281    H    ASP  39           HN       ASP  39  -9.766   3.911   1.928
  282    HA   ASP  39           HA       ASP  39 -11.576   5.573   0.424
  283    HB2  ASP  39           HB2      ASP  39 -10.598   5.679   3.268
  284    HB3  ASP  39           HB1      ASP  39 -11.652   6.881   2.532
  285    H    SER  40           HN       SER  40  -8.609   5.132   0.121
  286    HA   SER  40           HA       SER  40  -6.698   6.109  -0.437
  287    HB2  SER  40           HB2      SER  40  -6.825   8.114  -1.801
  288    HB3  SER  40           HB1      SER  40  -8.139   6.999  -2.193
  289    H    LEU  41           HN       LEU  41  -8.544   8.066   1.673
  290    HA   LEU  41           HA       LEU  41  -6.425   9.762   2.604
  291    HB2  LEU  41           HB2      LEU  41  -9.006   8.967   3.971
  292    HB3  LEU  41           HB1      LEU  41  -8.019  10.359   4.356
  293    HG   LEU  41           HG       LEU  41  -9.576   9.969   1.799
  294   HD11  LEU  41          HD11      LEU  41 -11.040  10.369   3.702
  295   HD12  LEU  41          HD12      LEU  41 -10.994  11.783   2.648
  296   HD13  LEU  41          HD13      LEU  41 -10.085  11.779   4.155
  297   HD21  LEU  41          HD21      LEU  41  -7.562  11.290   1.437
  298   HD22  LEU  41          HD22      LEU  41  -7.993  12.344   2.783
  299   HD23  LEU  41          HD23      LEU  41  -8.999  12.308   1.336
  300    H    SER  42           HN       SER  42  -7.816   6.667   3.189
  301    HA   SER  42           HA       SER  42  -6.741   5.794   5.561
  302    HB2  SER  42           HB2      SER  42  -6.838   4.210   3.029
  303    HB3  SER  42           HB1      SER  42  -7.167   3.612   4.640
  304    HG   SER  42           HG       SER  42  -9.111   5.007   4.555
  305    H    MET  43           HN       MET  43  -5.647   5.934   2.248
  306    HA   MET  43           HA       MET  43  -3.376   4.334   2.460
  307    HB2  MET  43           HB2      MET  43  -4.657   5.026   0.375
  308    HB3  MET  43           HB1      MET  43  -3.728   6.520   0.451
  309    HG2  MET  43           HG2      MET  43  -2.638   5.073  -1.017
  310    HG3  MET  43           HG1      MET  43  -1.659   5.123   0.469
  311    HE1  MET  43           HE1      MET  43  -4.023   3.185  -1.819
  312    HE2  MET  43           HE2      MET  43  -4.997   3.410  -0.389
  313    HE3  MET  43           HE3      MET  43  -4.487   1.777  -0.857
  314    H    VAL  44           HN       VAL  44  -3.927   7.766   2.889
  315    HA   VAL  44           HA       VAL  44  -1.214   8.423   2.763
  316    HB   VAL  44           HB       VAL  44  -3.408   9.986   4.162
  317   HG11  VAL  44          HG11      VAL  44  -2.001  11.941   3.733
  318   HG12  VAL  44          HG12      VAL  44  -0.760  10.896   3.045
  319   HG13  VAL  44          HG13      VAL  44  -1.175  10.766   4.755
  320   HG21  VAL  44          HG21      VAL  44  -3.627  11.213   2.035
  321   HG22  VAL  44          HG22      VAL  44  -4.014   9.506   1.850
  322   HG23  VAL  44          HG23      VAL  44  -2.470  10.116   1.289
  323    H    GLU  45           HN       GLU  45  -3.223   7.254   5.385
  324    HA   GLU  45           HA       GLU  45  -1.134   7.629   7.349
  325    HB2  GLU  45           HB2      GLU  45  -3.729   6.072   7.461
  326    HB3  GLU  45           HB1      GLU  45  -2.678   6.408   8.828
  327    HG2  GLU  45           HG2      GLU  45  -4.122   8.490   7.206
  328    HG3  GLU  45           HG1      GLU  45  -4.660   7.853   8.760
  329    H    VAL  46           HN       VAL  46  -2.432   5.208   5.217
  330    HA   VAL  46           HA       VAL  46  -1.052   2.963   6.198
  331    HB   VAL  46           HB       VAL  46  -1.969   3.471   3.311
  332   HG11  VAL  46          HG11      VAL  46  -2.035   1.066   3.074
  333   HG12  VAL  46          HG12      VAL  46  -1.398   0.877   4.692
  334   HG13  VAL  46          HG13      VAL  46  -0.374   1.597   3.420
  335   HG21  VAL  46          HG21      VAL  46  -3.379   2.017   5.535
  336   HG22  VAL  46          HG22      VAL  46  -3.929   2.134   3.866
  337   HG23  VAL  46          HG23      VAL  46  -3.831   3.585   4.867
  338    H    VAL  47           HN       VAL  47  -0.172   5.556   4.061
  339    HA   VAL  47           HA       VAL  47   2.340   4.698   3.032
  340    HB   VAL  47           HB       VAL  47   1.109   7.423   3.600
  341   HG11  VAL  47          HG11      VAL  47   3.544   7.653   3.763
  342   HG12  VAL  47          HG12      VAL  47   2.921   8.438   2.313
  343   HG13  VAL  47          HG13      VAL  47   3.718   6.867   2.193
  344   HG21  VAL  47          HG21      VAL  47   0.105   6.184   1.798
  345   HG22  VAL  47          HG22      VAL  47   1.686   5.963   1.044
  346   HG23  VAL  47          HG23      VAL  47   0.991   7.578   1.178
  347    H    VAL  48           HN       VAL  48   1.751   6.914   5.680
  348    HA   VAL  48           HA       VAL  48   4.399   6.973   6.463
  349    HB   VAL  48           HB       VAL  48   1.898   7.483   8.101
  350   HG11  VAL  48          HG11      VAL  48   4.756   8.267   8.707
  351   HG12  VAL  48          HG12      VAL  48   3.821   7.060   9.592
  352   HG13  VAL  48          HG13      VAL  48   3.330   8.753   9.627
  353   HG21  VAL  48          HG21      VAL  48   3.800   9.238   6.613
  354   HG22  VAL  48          HG22      VAL  48   2.442   9.827   7.594
  355   HG23  VAL  48          HG23      VAL  48   2.153   8.848   6.141
  356    H    ALA  49           HN       ALA  49   1.924   4.726   7.223
  357    HA   ALA  49           HA       ALA  49   3.386   3.374   9.311
  358    HB1  ALA  49           HB1      ALA  49   1.577   1.710   9.157
  359    HB2  ALA  49           HB2      ALA  49   0.993   2.494   7.688
  360    HB3  ALA  49           HB3      ALA  49   0.928   3.350   9.217
  361    H    ALA  50           HN       ALA  50   2.753   2.774   5.867
  362    HA   ALA  50           HA       ALA  50   4.206   0.382   5.692
  363    HB1  ALA  50           HB1      ALA  50   4.163   0.726   3.269
  364    HB2  ALA  50           HB2      ALA  50   3.622   2.387   3.511
  365    HB3  ALA  50           HB3      ALA  50   2.582   1.042   3.987
  366    H    GLU  51           HN       GLU  51   5.085   3.767   5.234
  367    HA   GLU  51           HA       GLU  51   7.626   3.476   4.214
  368    HB2  GLU  51           HB2      GLU  51   6.701   5.553   6.170
  369    HB3  GLU  51           HB1      GLU  51   8.161   5.663   5.218
  370    HG2  GLU  51           HG2      GLU  51   6.886   5.850   3.163
  371    HG3  GLU  51           HG1      GLU  51   5.382   5.579   4.014
  372    H    GLU  52           HN       GLU  52   6.411   3.329   7.445
  373    HA   GLU  52           HA       GLU  52   8.981   3.307   8.755
  374    HB2  GLU  52           HB2      GLU  52   6.225   2.675   9.737
  375    HB3  GLU  52           HB1      GLU  52   7.620   2.620  10.783
  376    HG2  GLU  52           HG2      GLU  52   8.013   4.997  10.314
  377    HG3  GLU  52           HG1      GLU  52   6.559   5.006   9.311
  378    H    ARG  53           HN       ARG  53   6.544   0.886   8.024
  379    HA   ARG  53           HA       ARG  53   7.944  -1.158   9.443
  380    HB2  ARG  53           HB2      ARG  53   6.128  -2.549   8.922
  381    HB3  ARG  53           HB1      ARG  53   5.439  -0.950   9.161
  382    HG2  ARG  53           HG2      ARG  53   5.395  -0.668   6.717
  383    HG3  ARG  53           HG1      ARG  53   5.970  -2.325   6.555
  384    HD2  ARG  53           HD2      ARG  53   3.338  -1.344   7.617
  385    HD3  ARG  53           HD1      ARG  53   3.671  -2.386   6.239
  386    HE   ARG  53           HE       ARG  53   3.083  -3.145   8.814
  387   HH11  ARG  53          HH11      ARG  53   5.802  -4.070   6.712
  388   HH12  ARG  53          HH12      ARG  53   5.697  -5.740   7.010
  389   HH21  ARG  53          HH21      ARG  53   2.864  -5.545   9.126
  390   HH22  ARG  53          HH22      ARG  53   3.979  -6.586   8.378
  391    H    PHE  54           HN       PHE  54   7.930  -0.021   6.205
  392    HA   PHE  54           HA       PHE  54   9.321  -2.432   5.326
  393    HB2  PHE  54           HB2      PHE  54   8.079  -0.209   3.724
  394    HB3  PHE  54           HB1      PHE  54   8.967  -1.555   3.031
  395    HD1  PHE  54           HD1      PHE  54   8.062  -3.887   4.327
  396    HD2  PHE  54           HD2      PHE  54   5.841  -0.406   3.329
  397    HE1  PHE  54           HE1      PHE  54   6.001  -5.215   4.281
  398    HE2  PHE  54           HE2      PHE  54   3.775  -1.729   3.290
  399    HZ   PHE  54           HZ       PHE  54   3.853  -4.132   3.767
  400    H    ASP  55           HN       ASP  55   9.832   0.863   6.113
  401    HA   ASP  55           HA       ASP  55  11.549   2.269   6.110
  402    HB2  ASP  55           HB2      ASP  55  12.655   0.255   7.235
  403    HB3  ASP  55           HB1      ASP  55  13.362  -0.131   5.673
  404    H    VAL  56           HN       VAL  56  10.286   1.308   3.698
  405    HA   VAL  56           HA       VAL  56  12.172   1.770   1.522
  406    HB   VAL  56           HB       VAL  56   9.229   1.068   1.647
  407   HG11  VAL  56          HG11      VAL  56   9.630   2.515  -0.338
  408   HG12  VAL  56          HG12      VAL  56   9.263   0.848  -0.784
  409   HG13  VAL  56          HG13      VAL  56  10.928   1.423  -0.829
  410   HG21  VAL  56          HG21      VAL  56   9.933  -0.955   0.636
  411   HG22  VAL  56          HG22      VAL  56  10.805  -0.650   2.159
  412   HG23  VAL  56          HG23      VAL  56  11.572  -0.306   0.574
  413    H    LYS  57           HN       LYS  57   9.199   3.016   2.720
  414    HA   LYS  57           HA       LYS  57   8.172   4.929   2.737
  415    HB2  LYS  57           HB2      LYS  57  10.017   6.195   3.534
  416    HB3  LYS  57           HB1      LYS  57  10.834   6.143   1.977
  417    HG2  LYS  57           HG2      LYS  57   9.268   7.668   1.024
  418    HG3  LYS  57           HG1      LYS  57   8.221   7.558   2.430
  419    HD2  LYS  57           HD2      LYS  57  11.026   8.642   2.579
  420    HD3  LYS  57           HD1      LYS  57   9.644   9.659   2.183
  421    HE2  LYS  57           HE2      LYS  57   9.967   9.935   4.505
  422    HE3  LYS  57           HE1      LYS  57   8.604   8.837   4.349
  423    HZ1  LYS  57           HZ1      LYS  57  11.402   8.054   4.973
  424    HZ2  LYS  57           HZ2      LYS  57  10.125   6.970   4.882
  425    HZ3  LYS  57           HZ3      LYS  57  10.147   8.157   6.076
  426    H    ILE  58           HN       ILE  58   6.568   5.095   1.477
  427    HA   ILE  58           HA       ILE  58   7.034   5.769  -1.323
  428    HB   ILE  58           HB       ILE  58   4.508   4.255  -0.524
  429   HG12  ILE  58          HG12      ILE  58   5.705   2.194  -1.613
  430   HG13  ILE  58          HG11      ILE  58   7.186   3.049  -1.180
  431   HG21  ILE  58          HG21      ILE  58   5.831   4.675  -3.160
  432   HG22  ILE  58          HG22      ILE  58   4.363   5.442  -2.550
  433   HG23  ILE  58          HG23      ILE  58   4.378   3.738  -2.862
  434   HD11  ILE  58          HD11      ILE  58   5.083   2.184   0.776
  435   HD12  ILE  58          HD12      ILE  58   6.592   3.012   1.152
  436   HD13  ILE  58          HD13      ILE  58   6.627   1.380   0.481
  437    HA   PRO  59           HA       PRO  59   4.839   9.111   0.871
  438    HB2  PRO  59           HB2      PRO  59   5.377  10.326  -1.796
  439    HB3  PRO  59           HB1      PRO  59   5.663  11.000  -0.186
  440    HG2  PRO  59           HG2      PRO  59   7.693  10.135  -1.688
  441    HG3  PRO  59           HG1      PRO  59   7.676   9.887   0.068
  442    HD2  PRO  59           HD2      PRO  59   7.149   7.910  -2.117
  443    HD3  PRO  59           HD1      PRO  59   7.935   7.699  -0.542
  444    H    ASP  60           HN       ASP  60   2.651   9.778   0.513
  445    HA   ASP  60           HA       ASP  60   1.135   8.069  -1.106
  446    HB2  ASP  60           HB2      ASP  60  -0.838   9.267  -0.488
  447    HB3  ASP  60           HB1      ASP  60   0.223   9.334   0.900
  448    H    ASP  61           HN       ASP  61   2.843  10.752  -1.948
  449    HA   ASP  61           HA       ASP  61   1.494  11.512  -4.371
  450    HB2  ASP  61           HB2      ASP  61   2.948  13.095  -3.208
  451    HB3  ASP  61           HB1      ASP  61   4.315  12.004  -3.395
  452    H    ASP  62           HN       ASP  62   3.937   9.187  -3.519
  453    HA   ASP  62           HA       ASP  62   4.460   8.468  -6.321
  454    HB2  ASP  62           HB2      ASP  62   5.590   7.464  -3.706
  455    HB3  ASP  62           HB1      ASP  62   5.833   6.573  -5.204
  456    H    VAL  63           HN       VAL  63   2.767   7.574  -3.613
  457    HA   VAL  63           HA       VAL  63   1.864   5.008  -4.028
  458    HB   VAL  63           HB       VAL  63   0.822   7.423  -2.622
  459   HG11  VAL  63          HG11      VAL  63  -1.115   6.440  -1.810
  460   HG12  VAL  63          HG12      VAL  63  -0.697   4.867  -2.429
  461   HG13  VAL  63          HG13      VAL  63  -1.218   6.148  -3.554
  462   HG21  VAL  63          HG21      VAL  63   2.572   6.127  -1.650
  463   HG22  VAL  63          HG22      VAL  63   1.590   4.663  -1.759
  464   HG23  VAL  63          HG23      VAL  63   1.102   5.976  -0.690
  465    H    LYS  64           HN       LYS  64   1.015   7.869  -5.743
  466    HA   LYS  64           HA       LYS  64  -1.437   6.993  -6.686
  467    HB2  LYS  64           HB2      LYS  64  -1.298   8.760  -8.421
  468    HB3  LYS  64           HB1      LYS  64  -0.827   9.342  -6.820
  469    HG2  LYS  64           HG2      LYS  64   1.512   9.162  -7.450
  470    HG3  LYS  64           HG1      LYS  64   1.040   8.573  -9.042
  471    HD2  LYS  64           HD2      LYS  64   1.609  10.900  -9.126
  472    HD3  LYS  64           HD1      LYS  64  -0.121  10.667  -9.460
  473    HE2  LYS  64           HE2      LYS  64  -0.649  11.353  -7.165
  474    HE3  LYS  64           HE1      LYS  64   1.071  11.510  -6.808
  475    HZ1  LYS  64           HZ1      LYS  64   0.085  13.613  -7.199
  476    HZ2  LYS  64           HZ2      LYS  64  -0.504  13.150  -8.710
  477    HZ3  LYS  64           HZ3      LYS  64   1.179  13.288  -8.442
  478    H    ASN  65           HN       ASN  65   1.739   6.312  -7.518
  479    HA   ASN  65           HA       ASN  65   1.213   5.433 -10.220
  480    HB2  ASN  65           HB2      ASN  65   3.730   5.289  -8.538
  481    HB3  ASN  65           HB1      ASN  65   3.618   4.984 -10.270
  482   HD21  ASN  65          HD21      ASN  65   5.066   7.019  -8.581
  483   HD22  ASN  65          HD22      ASN  65   4.661   8.535  -9.270
  484    H    LEU  66           HN       LEU  66   0.742   4.262  -7.183
  485    HA   LEU  66           HA       LEU  66   1.414   1.502  -7.956
  486    HB2  LEU  66           HB2      LEU  66   1.014   2.555  -5.187
  487    HB3  LEU  66           HB1      LEU  66   1.559   0.956  -5.664
  488    HG   LEU  66           HG       LEU  66   3.027   3.548  -6.008
  489   HD11  LEU  66          HD11      LEU  66   4.582   2.610  -4.354
  490   HD12  LEU  66          HD12      LEU  66   3.505   1.228  -4.154
  491   HD13  LEU  66          HD13      LEU  66   2.961   2.845  -3.713
  492   HD21  LEU  66          HD21      LEU  66   3.583   2.037  -7.798
  493   HD22  LEU  66          HD22      LEU  66   3.929   0.755  -6.637
  494   HD23  LEU  66          HD23      LEU  66   4.945   2.197  -6.688
  495    H    LYS  67           HN       LYS  67  -0.983   2.959  -8.569
  496    HA   LYS  67           HA       LYS  67  -3.359   2.686  -7.543
  497    HB2  LYS  67           HB2      LYS  67  -4.311   1.780  -9.645
  498    HB3  LYS  67           HB1      LYS  67  -3.135   3.062  -9.913
  499    HG2  LYS  67           HG2      LYS  67  -1.481   1.532 -10.634
  500    HG3  LYS  67           HG1      LYS  67  -2.410   0.140 -10.082
  501    HD2  LYS  67           HD2      LYS  67  -2.596   0.237 -12.468
  502    HD3  LYS  67           HD1      LYS  67  -4.143   0.726 -11.790
  503    HE2  LYS  67           HE2      LYS  67  -3.607   2.168 -13.632
  504    HE3  LYS  67           HE1      LYS  67  -3.487   3.093 -12.137
  505    HZ1  LYS  67           HZ1      LYS  67  -1.678   3.481 -13.741
  506    HZ2  LYS  67           HZ2      LYS  67  -1.094   1.920 -13.516
  507    HZ3  LYS  67           HZ3      LYS  67  -1.138   3.028 -12.236
  508    H    THR  68           HN       THR  68  -1.554  -0.308  -8.192
  509    HA   THR  68           HA       THR  68  -3.718  -1.749  -6.876
  510    HB   THR  68           HB       THR  68  -2.709  -3.745  -7.799
  511    HG1  THR  68           HG1      THR  68  -1.515  -2.731  -9.970
  512   HG21  THR  68          HG21      THR  68  -3.669  -3.462 -10.070
  513   HG22  THR  68          HG22      THR  68  -3.730  -1.719  -9.780
  514   HG23  THR  68          HG23      THR  68  -4.694  -2.815  -8.790
  515    H    VAL  69           HN       VAL  69  -3.078  -3.578  -5.592
  516    HA   VAL  69           HA       VAL  69  -1.060  -3.026  -3.659
  517    HB   VAL  69           HB       VAL  69  -1.990  -5.767  -4.337
  518   HG11  VAL  69          HG11      VAL  69  -1.341  -4.319  -1.809
  519   HG12  VAL  69          HG12      VAL  69  -0.235  -5.295  -2.758
  520   HG13  VAL  69          HG13      VAL  69  -1.643  -6.075  -1.941
  521   HG21  VAL  69          HG21      VAL  69  -3.545  -3.765  -2.700
  522   HG22  VAL  69          HG22      VAL  69  -3.925  -5.482  -2.849
  523   HG23  VAL  69          HG23      VAL  69  -4.025  -4.428  -4.260
  524    H    GLY  70           HN       GLY  70  -1.083  -4.917  -6.533
  525    HA2  GLY  70           HA2      GLY  70   1.420  -6.178  -6.138
  526    HA3  GLY  70           HA1      GLY  70   0.542  -6.061  -7.656
  527    H    ASP  71           HN       ASP  71   0.436  -3.110  -7.499
  528    HA   ASP  71           HA       ASP  71   2.976  -2.691  -8.774
  529    HB2  ASP  71           HB2      ASP  71   0.616  -1.447  -9.128
  530    HB3  ASP  71           HB1      ASP  71   1.339  -0.450  -7.871
  531    H    ALA  72           HN       ALA  72   1.337  -1.735  -5.824
  532    HA   ALA  72           HA       ALA  72   3.299  -0.168  -4.593
  533    HB1  ALA  72           HB1      ALA  72   1.049  -0.487  -3.704
  534    HB2  ALA  72           HB2      ALA  72   2.282  -0.878  -2.502
  535    HB3  ALA  72           HB3      ALA  72   1.428  -2.173  -3.345
  536    H    THR  73           HN       THR  73   2.711  -3.628  -4.289
  537    HA   THR  73           HA       THR  73   4.936  -4.278  -2.774
  538    HB   THR  73           HB       THR  73   3.422  -5.999  -4.764
  539    HG1  THR  73           HG1      THR  73   1.932  -5.304  -3.373
  540   HG21  THR  73          HG21      THR  73   4.967  -6.744  -2.279
  541   HG22  THR  73          HG22      THR  73   5.502  -7.063  -3.935
  542   HG23  THR  73          HG23      THR  73   4.048  -7.852  -3.296
  543    H    LYS  74           HN       LYS  74   4.647  -3.699  -6.195
  544    HA   LYS  74           HA       LYS  74   7.006  -5.056  -7.022
  545    HB2  LYS  74           HB2      LYS  74   4.866  -4.109  -8.331
  546    HB3  LYS  74           HB1      LYS  74   5.933  -2.731  -8.540
  547    HG2  LYS  74           HG2      LYS  74   6.183  -4.069 -10.452
  548    HG3  LYS  74           HG1      LYS  74   7.628  -4.344  -9.474
  549    HD2  LYS  74           HD2      LYS  74   6.839  -6.477 -10.289
  550    HD3  LYS  74           HD1      LYS  74   6.550  -6.381  -8.550
  551    HE2  LYS  74           HE2      LYS  74   4.612  -7.365  -9.701
  552    HE3  LYS  74           HE1      LYS  74   4.190  -5.828  -8.956
  553    HZ1  LYS  74           HZ1      LYS  74   4.960  -6.057 -11.808
  554    HZ2  LYS  74           HZ2      LYS  74   4.154  -4.762 -11.064
  555    HZ3  LYS  74           HZ3      LYS  74   3.364  -6.218 -11.323
  556    H    TYR  75           HN       TYR  75   6.130  -1.706  -6.250
  557    HA   TYR  75           HA       TYR  75   8.693  -0.614  -6.699
  558    HB2  TYR  75           HB2      TYR  75   6.677   0.695  -6.913
  559    HB3  TYR  75           HB1      TYR  75   6.228   0.348  -5.251
  560    HD1  TYR  75           HD1      TYR  75   8.857   2.004  -7.305
  561    HD2  TYR  75           HD2      TYR  75   6.842   1.817  -3.578
  562    HE1  TYR  75           HE1      TYR  75   9.983   4.040  -6.621
  563    HE2  TYR  75           HE2      TYR  75   7.961   3.858  -2.855
  564    HH   TYR  75           HH       TYR  75   9.965   5.139  -3.369
  565    H    ILE  76           HN       ILE  76   6.821  -1.459  -3.846
  566    HA   ILE  76           HA       ILE  76   8.597  -0.549  -1.920
  567    HB   ILE  76           HB       ILE  76   6.434  -2.678  -1.672
  568   HG12  ILE  76          HG12      ILE  76   6.419   0.277  -1.030
  569   HG13  ILE  76          HG11      ILE  76   5.632  -0.485  -2.405
  570   HG21  ILE  76          HG21      ILE  76   6.490  -2.238   0.718
  571   HG22  ILE  76          HG22      ILE  76   7.820  -1.109   0.506
  572   HG23  ILE  76          HG23      ILE  76   8.053  -2.828   0.160
  573   HD11  ILE  76          HD11      ILE  76   4.972  -0.966   0.490
  574   HD12  ILE  76          HD12      ILE  76   4.160  -1.706  -0.892
  575   HD13  ILE  76          HD13      ILE  76   4.052   0.040  -0.631
  576    H    LEU  77           HN       LEU  77   8.229  -3.893  -3.187
  577    HA   LEU  77           HA       LEU  77  10.045  -5.044  -1.389
  578    HB2  LEU  77           HB2      LEU  77   8.326  -6.195  -2.772
  579    HB3  LEU  77           HB1      LEU  77   9.378  -6.065  -4.163
  580    HG   LEU  77           HG       LEU  77  10.132  -7.577  -1.653
  581   HD11  LEU  77          HD11      LEU  77   9.429  -9.607  -2.862
  582   HD12  LEU  77          HD12      LEU  77   8.809  -8.598  -4.169
  583   HD13  LEU  77          HD13      LEU  77   8.077  -8.515  -2.565
  584   HD21  LEU  77          HD21      LEU  77  12.001  -7.022  -3.154
  585   HD22  LEU  77          HD22      LEU  77  11.140  -7.764  -4.502
  586   HD23  LEU  77          HD23      LEU  77  11.686  -8.758  -3.151
  587    H    ASP  78           HN       ASP  78  10.437  -3.567  -4.530
  588    HA   ASP  78           HA       ASP  78  13.145  -4.354  -4.992
  589    HB2  ASP  78           HB2      ASP  78  11.634  -3.761  -6.825
  590    HB3  ASP  78           HB1      ASP  78  11.500  -2.128  -6.194
  591    H    HIS  79           HN       HIS  79  11.585  -1.699  -3.449
  592    HA   HIS  79           HA       HIS  79  14.082  -0.216  -3.162
  593    HB2  HIS  79           HB2      HIS  79  11.207   0.569  -2.863
  594    HB3  HIS  79           HB1      HIS  79  12.477   1.590  -2.216
  595    HD1  HIS  79           HD1      HIS  79  13.376   3.273  -3.825
  596    HD2  HIS  79           HD2      HIS  79  11.579   0.074  -5.768
  597    HE1  HIS  79           HE1      HIS  79  13.417   3.850  -6.267
  598    HE2  HIS  79           HE2      HIS  79  12.626   1.737  -7.405
  599    H    GLN  80           HN       GLN  80  12.815  -2.579  -1.602
  600    HA   GLN  80           HA       GLN  80  12.399  -2.020   1.060
  601    HB2  GLN  80           HB2      GLN  80  13.527  -4.363  -0.356
  602    HB3  GLN  80           HB1      GLN  80  13.527  -4.300   1.399
  603    HG2  GLN  80           HG2      GLN  80  11.110  -3.986  -0.343
  604    HG3  GLN  80           HG1      GLN  80  11.609  -5.490   0.431
  605   HE21  GLN  80          HE21      GLN  80   9.251  -3.894   0.708
  606   HE22  GLN  80          HE22      GLN  80   9.072  -3.597   2.397
  607    H    ALA  81           HN       ALA  81  13.651  -2.277   2.885
  608    HA   ALA  81           HA       ALA  81  16.527  -2.223   2.606
  609    HB1  ALA  81           HB1      ALA  81  15.825   0.103   2.952
  610    HB2  ALA  81           HB2      ALA  81  16.631  -0.517   4.395
  611    HB3  ALA  81           HB3      ALA  81  14.873  -0.388   4.353
  612    H28  SXH 101          H28B      SXH 101  -6.051   9.921  -2.761
  613   H28A  SXH 101          H28A      SXH 101  -6.054   9.808  -1.036
  614    H30  SXH 101          H30C      SXH 101  -5.850  12.543  -3.468
  615   H30A  SXH 101          H30A      SXH 101  -5.222  13.719  -2.304
  616   H30B  SXH 101          H30B      SXH 101  -6.866  13.063  -2.118
  617    H31  SXH 101          H31A      SXH 101  -6.338  12.321   0.151
  618   H31A  SXH 101          H31C      SXH 101  -4.979  11.236   0.441
  619   H31B  SXH 101          H31B      SXH 101  -4.686  12.922   0.016
  620    H32  SXH 101          H32A      SXH 101  -3.148  12.176  -1.881
  621   HO33  SXH 101          H33A      SXH 101  -2.489  10.730  -0.814
  622   HN36  SXH 101          H36A      SXH 101  -2.434   9.862  -2.703
  623    H37  SXH 101          H37A      SXH 101  -1.561  10.103  -5.299
  624   H37A  SXH 101          H37B      SXH 101  -1.825   8.506  -4.609
  625    H38  SXH 101          H38A      SXH 101  -3.869  10.137  -6.142
  626   H38A  SXH 101          H38B      SXH 101  -2.909   8.816  -6.799
  627   HN41  SXH 101          H41A      SXH 101  -3.376   7.517  -4.042
  628    H42  SXH 101          H42A      SXH 101  -5.769   6.836  -3.236
  629   H42A  SXH 101          H42B      SXH 101  -5.820   6.198  -4.864
  630    H43  SXH 101          H43A      SXH 101  -5.171   4.356  -3.517
  631   H43A  SXH 101          H43B      SXH 101  -3.997   5.405  -2.699
  632    H2   SXH 101           H2A      SXH 101  -1.060   3.445  -3.706
  633    H2A  SXH 101           H2B      SXH 101  -1.339   2.267  -4.944
  634    H3   SXH 101           H3A      SXH 101  -2.009   0.613  -3.567
  635    H3A  SXH 101           H3B      SXH 101  -2.323   1.690  -2.195
  636    H4   SXH 101           H4B      SXH 101  -0.294   0.318  -1.901
  637    H4A  SXH 101           H4A      SXH 101   0.392   1.056  -3.345
  638    H5   SXH 101           H5A      SXH 101  -0.395   2.533  -0.826
  639    H5A  SXH 101           H5B      SXH 101   0.368   3.239  -2.263
  640    H6   SXH 101           H6C      SXH 101   1.538   1.093  -0.492
  641    H6A  SXH 101           H6A      SXH 101   2.009   2.792  -0.506
  642    H6B  SXH 101           H6B      SXH 101   2.310   1.784  -1.921
  Start of MODEL   16
    1    H1   ALA   1           HT1      ALA   1  12.529  -5.105   5.079
    2    H2   ALA   1           HT2      ALA   1  14.212  -5.250   5.200
    3    H3   ALA   1           HT3      ALA   1  13.188  -6.474   5.776
    4    HA   ALA   1           HA       ALA   1  13.305  -5.647   2.957
    5    HB1  ALA   1           HB1      ALA   1  15.429  -6.680   3.619
    6    HB2  ALA   1           HB2      ALA   1  14.522  -7.726   2.528
    7    HB3  ALA   1           HB3      ALA   1  14.555  -8.074   4.258
    8    H    ALA   2           HN       ALA   2  11.281  -5.890   2.343
    9    HA   ALA   2           HA       ALA   2   9.741  -8.182   3.337
   10    HB1  ALA   2           HB1      ALA   2   7.749  -6.895   2.761
   11    HB2  ALA   2           HB2      ALA   2   8.762  -5.594   2.133
   12    HB3  ALA   2           HB3      ALA   2   8.794  -5.985   3.851
   13    H    THR   3           HN       THR   3   8.052  -9.012   1.679
   14    HA   THR   3           HA       THR   3   9.262  -9.141  -0.960
   15    HB   THR   3           HB       THR   3   8.454 -11.553  -0.930
   16    HG1  THR   3           HG1      THR   3   8.660 -11.931   1.701
   17   HG21  THR   3          HG21      THR   3  10.846 -11.000  -0.712
   18   HG22  THR   3          HG22      THR   3  10.432 -12.394   0.286
   19   HG23  THR   3          HG23      THR   3  10.644 -10.807   1.031
   20    H    GLN   4           HN       GLN   4   7.236 -10.809  -2.051
   21    HA   GLN   4           HA       GLN   4   5.305  -8.889  -2.636
   22    HB2  GLN   4           HB2      GLN   4   5.967 -10.755  -4.143
   23    HB3  GLN   4           HB1      GLN   4   5.179 -11.887  -3.071
   24    HG2  GLN   4           HG2      GLN   4   3.612  -9.683  -4.386
   25    HG3  GLN   4           HG1      GLN   4   4.016 -11.143  -5.272
   26   HE21  GLN   4          HE21      GLN   4   2.091  -9.756  -2.777
   27   HE22  GLN   4          HE22      GLN   4   1.062 -11.101  -2.485
   28    H    GLU   5           HN       GLU   5   5.004 -11.829  -0.653
   29    HA   GLU   5           HA       GLU   5   2.310 -11.228   0.039
   30    HB2  GLU   5           HB2      GLU   5   3.117 -13.515  -0.060
   31    HB3  GLU   5           HB1      GLU   5   4.307 -13.177   1.184
   32    HG2  GLU   5           HG2      GLU   5   2.583 -12.839   2.797
   33    HG3  GLU   5           HG1      GLU   5   1.332 -13.069   1.573
   34    H    GLU   6           HN       GLU   6   5.406 -10.591   1.348
   35    HA   GLU   6           HA       GLU   6   4.657 -10.023   4.014
   36    HB2  GLU   6           HB2      GLU   6   6.979 -10.500   3.080
   37    HB3  GLU   6           HB1      GLU   6   6.983  -8.837   2.556
   38    HG2  GLU   6           HG2      GLU   6   8.153  -9.047   4.625
   39    HG3  GLU   6           HG1      GLU   6   6.694  -8.066   4.828
   40    H    ILE   7           HN       ILE   7   5.434  -7.829   1.247
   41    HA   ILE   7           HA       ILE   7   4.690  -5.455   2.458
   42    HB   ILE   7           HB       ILE   7   4.512  -6.299  -0.444
   43   HG12  ILE   7          HG12      ILE   7   6.631  -4.722   1.002
   44   HG13  ILE   7          HG11      ILE   7   6.728  -6.449   0.692
   45   HG21  ILE   7          HG21      ILE   7   3.130  -4.319  -0.012
   46   HG22  ILE   7          HG22      ILE   7   4.565  -3.898  -0.950
   47   HG23  ILE   7          HG23      ILE   7   4.498  -3.530   0.773
   48   HD11  ILE   7          HD11      ILE   7   6.657  -6.032  -1.689
   49   HD12  ILE   7          HD12      ILE   7   7.994  -5.173  -0.923
   50   HD13  ILE   7          HD13      ILE   7   6.536  -4.302  -1.386
   51    H    VAL   8           HN       VAL   8   2.821  -7.692   0.510
   52    HA   VAL   8           HA       VAL   8   0.400  -6.300   0.386
   53    HB   VAL   8           HB       VAL   8   0.876  -9.300   0.371
   54   HG11  VAL   8          HG11      VAL   8  -1.689  -7.819  -0.268
   55   HG12  VAL   8          HG12      VAL   8  -1.437  -8.871   1.126
   56   HG13  VAL   8          HG13      VAL   8  -1.406  -9.544  -0.505
   57   HG21  VAL   8          HG21      VAL   8   0.429  -9.044  -2.012
   58   HG22  VAL   8          HG22      VAL   8   1.791  -8.055  -1.486
   59   HG23  VAL   8          HG23      VAL   8   0.224  -7.308  -1.781
   60    H    ALA   9           HN       ALA   9   1.247  -8.799   2.800
   61    HA   ALA   9           HA       ALA   9  -1.162  -8.553   4.246
   62    HB1  ALA   9           HB1      ALA   9   0.305 -10.522   4.374
   63    HB2  ALA   9           HB2      ALA   9  -0.064  -9.862   5.968
   64    HB3  ALA   9           HB3      ALA   9   1.508  -9.557   5.230
   65    H    GLY  10           HN       GLY  10   1.783  -6.726   4.360
   66    HA2  GLY  10           HA2      GLY  10   1.343  -5.602   6.951
   67    HA3  GLY  10           HA1      GLY  10   2.548  -5.086   5.774
   68    H    LEU  11           HN       LEU  11   1.042  -4.530   3.598
   69    HA   LEU  11           HA       LEU  11  -0.061  -1.973   4.137
   70    HB2  LEU  11           HB2      LEU  11  -0.626  -3.805   1.799
   71    HB3  LEU  11           HB1      LEU  11  -0.970  -2.090   1.864
   72    HG   LEU  11           HG       LEU  11   1.762  -3.359   1.837
   73   HD11  LEU  11          HD11      LEU  11   0.270  -1.791  -0.258
   74   HD12  LEU  11          HD12      LEU  11   0.611  -3.521  -0.295
   75   HD13  LEU  11          HD13      LEU  11   1.934  -2.361  -0.386
   76   HD21  LEU  11          HD21      LEU  11   2.586  -1.065   1.617
   77   HD22  LEU  11          HD22      LEU  11   1.733  -1.299   3.144
   78   HD23  LEU  11          HD23      LEU  11   0.944  -0.456   1.813
   79    H    ALA  12           HN       ALA  12  -1.501  -5.127   3.561
   80    HA   ALA  12           HA       ALA  12  -4.145  -4.402   3.596
   81    HB1  ALA  12           HB1      ALA  12  -4.688  -6.630   4.123
   82    HB2  ALA  12           HB2      ALA  12  -3.025  -6.979   4.633
   83    HB3  ALA  12           HB3      ALA  12  -3.385  -6.596   2.934
   84    H    GLU  13           HN       GLU  13  -2.182  -5.475   6.404
   85    HA   GLU  13           HA       GLU  13  -4.340  -5.307   8.163
   86    HB2  GLU  13           HB2      GLU  13  -2.672  -5.304  10.018
   87    HB3  GLU  13           HB1      GLU  13  -2.419  -6.575   8.834
   88    HG2  GLU  13           HG2      GLU  13  -0.619  -5.327   7.835
   89    HG3  GLU  13           HG1      GLU  13  -0.889  -4.001   8.967
   90    H    ILE  14           HN       ILE  14  -2.309  -2.856   6.973
   91    HA   ILE  14           HA       ILE  14  -3.207  -0.843   8.842
   92    HB   ILE  14           HB       ILE  14  -2.005  -0.410   6.070
   93   HG12  ILE  14          HG12      ILE  14  -0.508  -0.496   8.687
   94   HG13  ILE  14          HG11      ILE  14  -0.698  -1.925   7.676
   95   HG21  ILE  14          HG21      ILE  14  -1.273   1.720   7.088
   96   HG22  ILE  14          HG22      ILE  14  -2.059   1.266   8.602
   97   HG23  ILE  14          HG23      ILE  14  -3.027   1.567   7.159
   98   HD11  ILE  14          HD11      ILE  14   1.434  -0.827   7.314
   99   HD12  ILE  14          HD12      ILE  14   0.596   0.657   6.823
  100   HD13  ILE  14          HD13      ILE  14   0.425  -0.829   5.874
  101    H    VAL  15           HN       VAL  15  -3.918  -1.474   5.364
  102    HA   VAL  15           HA       VAL  15  -6.014   0.182   4.863
  103    HB   VAL  15           HB       VAL  15  -5.634  -2.654   3.851
  104   HG11  VAL  15          HG11      VAL  15  -7.173  -0.359   2.629
  105   HG12  VAL  15          HG12      VAL  15  -7.879  -1.806   3.342
  106   HG13  VAL  15          HG13      VAL  15  -6.911  -1.933   1.883
  107   HG21  VAL  15          HG21      VAL  15  -3.688  -1.249   3.517
  108   HG22  VAL  15          HG22      VAL  15  -4.685  -0.042   2.693
  109   HG23  VAL  15          HG23      VAL  15  -4.490  -1.673   2.012
  110    H    ASN  16           HN       ASN  16  -6.048  -2.967   6.418
  111    HA   ASN  16           HA       ASN  16  -8.779  -3.467   6.688
  112    HB2  ASN  16           HB2      ASN  16  -6.467  -4.151   8.515
  113    HB3  ASN  16           HB1      ASN  16  -8.103  -4.543   8.954
  114   HD21  ASN  16          HD21      ASN  16  -6.712  -4.880   5.731
  115   HD22  ASN  16          HD22      ASN  16  -6.840  -6.595   5.739
  116    H    GLU  17           HN       GLU  17  -6.630  -1.525   8.702
  117    HA   GLU  17           HA       GLU  17  -8.538  -0.963  10.716
  118    HB2  GLU  17           HB2      GLU  17  -5.941   0.405  10.031
  119    HB3  GLU  17           HB1      GLU  17  -6.896   0.730  11.467
  120    HG2  GLU  17           HG2      GLU  17  -5.642  -1.911  10.769
  121    HG3  GLU  17           HG1      GLU  17  -4.989  -0.731  11.906
  122    H    ILE  18           HN       ILE  18  -7.231   0.991   8.042
  123    HA   ILE  18           HA       ILE  18  -8.959   3.216   8.877
  124    HB   ILE  18           HB       ILE  18  -7.243   3.303   6.431
  125   HG12  ILE  18          HG12      ILE  18  -6.201   3.857   9.210
  126   HG13  ILE  18          HG11      ILE  18  -5.879   2.337   8.362
  127   HG21  ILE  18          HG21      ILE  18  -8.014   5.308   8.559
  128   HG22  ILE  18          HG22      ILE  18  -8.702   5.192   6.937
  129   HG23  ILE  18          HG23      ILE  18  -7.008   5.647   7.151
  130   HD11  ILE  18          HD11      ILE  18  -4.039   3.927   8.150
  131   HD12  ILE  18          HD12      ILE  18  -5.168   5.091   7.419
  132   HD13  ILE  18          HD13      ILE  18  -4.804   3.608   6.590
  133    H    ALA  19           HN       ALA  19  -8.298   1.500   5.765
  134    HA   ALA  19           HA       ALA  19 -10.553   2.744   4.521
  135    HB1  ALA  19           HB1      ALA  19  -8.606   2.061   3.203
  136    HB2  ALA  19           HB2      ALA  19 -10.092   1.316   2.605
  137    HB3  ALA  19           HB3      ALA  19  -8.957   0.371   3.564
  138    H    GLY  20           HN       GLY  20  -9.906  -0.492   5.713
  139    HA2  GLY  20           HA2      GLY  20 -11.670  -1.683   6.841
  140    HA3  GLY  20           HA1      GLY  20 -12.815  -0.914   5.749
  141    H    ILE  21           HN       ILE  21  -9.962  -1.932   4.165
  142    HA   ILE  21           HA       ILE  21 -11.463  -4.035   2.888
  143    HB   ILE  21           HB       ILE  21  -8.639  -3.059   2.393
  144   HG12  ILE  21          HG12      ILE  21 -10.231  -1.345   1.894
  145   HG13  ILE  21          HG11      ILE  21  -9.682  -2.048   0.375
  146   HG21  ILE  21          HG21      ILE  21  -8.941  -5.376   1.677
  147   HG22  ILE  21          HG22      ILE  21  -8.789  -4.301   0.287
  148   HG23  ILE  21          HG23      ILE  21 -10.372  -4.916   0.760
  149   HD11  ILE  21          HD11      ILE  21 -12.256  -2.646   1.789
  150   HD12  ILE  21          HD12      ILE  21 -11.694  -3.422   0.304
  151   HD13  ILE  21          HD13      ILE  21 -12.044  -1.681   0.317
  152    HA   PRO  22           HA       PRO  22  -9.879  -6.888   6.014
  153    HB2  PRO  22           HB2      PRO  22 -10.906  -8.912   4.103
  154    HB3  PRO  22           HB1      PRO  22 -11.288  -8.684   5.815
  155    HG2  PRO  22           HG2      PRO  22 -13.040  -8.022   3.945
  156    HG3  PRO  22           HG1      PRO  22 -12.825  -7.002   5.379
  157    HD2  PRO  22           HD2      PRO  22 -11.769  -6.605   2.602
  158    HD3  PRO  22           HD1      PRO  22 -12.487  -5.419   3.711
  159    H    VAL  23           HN       VAL  23  -8.383  -8.700   6.150
  160    HA   VAL  23           HA       VAL  23  -6.175  -8.140   4.627
  161    HB   VAL  23           HB       VAL  23  -5.063 -10.234   5.596
  162   HG11  VAL  23          HG11      VAL  23  -4.756  -8.066   6.595
  163   HG12  VAL  23          HG12      VAL  23  -4.898  -9.306   7.841
  164   HG13  VAL  23          HG13      VAL  23  -6.262  -8.242   7.494
  165   HG21  VAL  23          HG21      VAL  23  -7.672 -10.391   7.099
  166   HG22  VAL  23          HG22      VAL  23  -6.214 -11.311   7.487
  167   HG23  VAL  23          HG23      VAL  23  -7.048 -11.579   5.954
  168    H    GLU  24           HN       GLU  24  -8.711 -10.313   4.027
  169    HA   GLU  24           HA       GLU  24  -7.155 -11.985   2.194
  170    HB2  GLU  24           HB2      GLU  24 -10.066 -12.192   2.951
  171    HB3  GLU  24           HB1      GLU  24  -9.178 -13.331   1.957
  172    HG2  GLU  24           HG2      GLU  24  -7.743 -13.852   3.882
  173    HG3  GLU  24           HG1      GLU  24  -8.702 -12.744   4.867
  174    H    ASP  25           HN       ASP  25  -8.642  -9.065   1.993
  175    HA   ASP  25           HA       ASP  25  -9.713  -9.657  -0.656
  176    HB2  ASP  25           HB2      ASP  25 -11.123  -8.373   1.028
  177    HB3  ASP  25           HB1      ASP  25  -9.992  -7.038   0.835
  178    H    VAL  26           HN       VAL  26  -7.369  -7.607   1.020
  179    HA   VAL  26           HA       VAL  26  -6.262  -6.320  -1.195
  180    HB   VAL  26           HB       VAL  26  -4.929  -7.189   1.393
  181   HG11  VAL  26          HG11      VAL  26  -3.254  -6.636  -0.281
  182   HG12  VAL  26          HG12      VAL  26  -3.302  -5.396   0.971
  183   HG13  VAL  26          HG13      VAL  26  -4.049  -5.094  -0.598
  184   HG21  VAL  26          HG21      VAL  26  -5.375  -4.900   2.162
  185   HG22  VAL  26          HG22      VAL  26  -6.857  -5.785   1.820
  186   HG23  VAL  26          HG23      VAL  26  -6.265  -4.578   0.673
  187    H    LYS  27           HN       LYS  27  -6.057  -7.801  -2.819
  188    HA   LYS  27           HA       LYS  27  -3.863  -9.751  -2.611
  189    HB2  LYS  27           HB2      LYS  27  -6.161  -9.529  -4.563
  190    HB3  LYS  27           HB1      LYS  27  -4.898 -10.761  -4.649
  191    HG2  LYS  27           HG2      LYS  27  -5.636 -11.643  -2.506
  192    HG3  LYS  27           HG1      LYS  27  -6.865 -10.383  -2.406
  193    HD2  LYS  27           HD2      LYS  27  -7.905 -11.257  -4.447
  194    HD3  LYS  27           HD1      LYS  27  -6.684 -12.531  -4.507
  195    HE2  LYS  27           HE2      LYS  27  -8.632 -12.071  -2.261
  196    HE3  LYS  27           HE1      LYS  27  -8.785 -13.314  -3.505
  197    HZ1  LYS  27           HZ1      LYS  27  -6.660 -14.253  -2.682
  198    HZ2  LYS  27           HZ2      LYS  27  -7.863 -14.243  -1.513
  199    HZ3  LYS  27           HZ3      LYS  27  -6.646 -13.110  -1.436
  200    H    LEU  28           HN       LEU  28  -2.381  -9.666  -4.548
  201    HA   LEU  28           HA       LEU  28  -1.647  -6.988  -4.726
  202    HB2  LEU  28           HB2      LEU  28   0.256  -7.495  -5.874
  203    HB3  LEU  28           HB1      LEU  28  -0.056  -8.880  -4.862
  204    HG   LEU  28           HG       LEU  28  -0.816  -8.882  -7.760
  205   HD11  LEU  28          HD11      LEU  28   1.425  -9.740  -8.213
  206   HD12  LEU  28          HD12      LEU  28   1.821  -9.527  -6.492
  207   HD13  LEU  28          HD13      LEU  28   1.453  -8.123  -7.483
  208   HD21  LEU  28          HD21      LEU  28  -1.637 -10.713  -6.305
  209   HD22  LEU  28          HD22      LEU  28   0.025 -11.048  -5.817
  210   HD23  LEU  28          HD23      LEU  28  -0.467 -11.290  -7.493
  211    H    ASP  29           HN       ASP  29  -3.464  -8.773  -7.139
  212    HA   ASP  29           HA       ASP  29  -3.092  -6.604  -9.041
  213    HB2  ASP  29           HB2      ASP  29  -3.281  -8.939  -9.708
  214    HB3  ASP  29           HB1      ASP  29  -4.980  -8.962  -9.229
  215    H    LYS  30           HN       LYS  30  -4.734  -6.704  -6.336
  216    HA   LYS  30           HA       LYS  30  -7.261  -5.754  -7.268
  217    HB2  LYS  30           HB2      LYS  30  -6.097  -6.618  -4.677
  218    HB3  LYS  30           HB1      LYS  30  -7.387  -5.441  -4.640
  219    HG2  LYS  30           HG2      LYS  30  -8.085  -7.844  -4.376
  220    HG3  LYS  30           HG1      LYS  30  -8.946  -6.904  -5.581
  221    HD2  LYS  30           HD2      LYS  30  -7.633  -7.945  -7.342
  222    HD3  LYS  30           HD1      LYS  30  -6.712  -8.847  -6.134
  223    HE2  LYS  30           HE2      LYS  30  -8.450 -10.265  -7.084
  224    HE3  LYS  30           HE1      LYS  30  -8.792  -9.937  -5.389
  225    HZ1  LYS  30           HZ1      LYS  30 -10.815  -9.670  -6.457
  226    HZ2  LYS  30           HZ2      LYS  30 -10.193  -8.889  -7.782
  227    HZ3  LYS  30           HZ3      LYS  30 -10.312  -8.067  -6.314
  228    H    SER  31           HN       SER  31  -6.659  -3.962  -8.230
  229    HA   SER  31           HA       SER  31  -5.257  -1.791  -7.208
  230    HB2  SER  31           HB2      SER  31  -6.300  -1.913  -9.521
  231    HB3  SER  31           HB1      SER  31  -7.852  -1.560  -8.772
  232    HG   SER  31           HG       SER  31  -5.793   0.199  -8.135
  233    H    PHE  32           HN       PHE  32  -5.497  -1.363  -5.131
  234    HA   PHE  32           HA       PHE  32  -7.462  -1.422  -3.325
  235    HB2  PHE  32           HB2      PHE  32  -5.487   0.747  -3.777
  236    HB3  PHE  32           HB1      PHE  32  -6.609   0.834  -2.422
  237    HD1  PHE  32           HD1      PHE  32  -6.499  -0.970  -0.685
  238    HD2  PHE  32           HD2      PHE  32  -3.597  -0.530  -3.741
  239    HE1  PHE  32           HE1      PHE  32  -4.995  -2.369   0.575
  240    HE2  PHE  32           HE2      PHE  32  -2.047  -1.922  -2.496
  241    HZ   PHE  32           HZ       PHE  32  -2.706  -2.719  -0.168
  242    H    THR  33           HN       THR  33  -6.951   1.692  -5.023
  243    HA   THR  33           HA       THR  33  -9.453   2.768  -4.514
  244    HB   THR  33           HB       THR  33  -7.597   3.643  -6.686
  245    HG1  THR  33           HG1      THR  33  -5.955   3.981  -5.223
  246   HG21  THR  33          HG21      THR  33  -8.886   5.010  -4.321
  247   HG22  THR  33          HG22      THR  33  -9.532   5.019  -5.965
  248   HG23  THR  33          HG23      THR  33  -7.990   5.814  -5.612
  249    H    ASP  34           HN       ASP  34 -10.214   0.398  -5.651
  250    HA   ASP  34           HA       ASP  34 -11.806   1.026  -7.895
  251    HB2  ASP  34           HB2      ASP  34  -9.731   0.996  -9.213
  252    HB3  ASP  34           HB1      ASP  34  -9.331  -0.588  -8.576
  253    H    ASP  35           HN       ASP  35  -9.890  -1.716  -6.881
  254    HA   ASP  35           HA       ASP  35 -11.993  -3.630  -7.388
  255    HB2  ASP  35           HB2      ASP  35  -9.385  -3.859  -7.598
  256    HB3  ASP  35           HB1      ASP  35  -9.441  -4.256  -5.928
  257    H    LEU  36           HN       LEU  36 -10.062  -2.619  -4.682
  258    HA   LEU  36           HA       LEU  36 -11.456  -4.235  -2.805
  259    HB2  LEU  36           HB2      LEU  36  -9.440  -2.027  -2.368
  260    HB3  LEU  36           HB1      LEU  36  -9.939  -3.234  -1.191
  261    HG   LEU  36           HG       LEU  36  -8.403  -3.709  -3.734
  262   HD11  LEU  36          HD11      LEU  36  -7.078  -2.741  -1.961
  263   HD12  LEU  36          HD12      LEU  36  -6.632  -4.425  -2.240
  264   HD13  LEU  36          HD13      LEU  36  -7.628  -3.992  -0.850
  265   HD21  LEU  36          HD21      LEU  36  -8.284  -6.012  -3.008
  266   HD22  LEU  36          HD22      LEU  36  -9.946  -5.493  -3.316
  267   HD23  LEU  36          HD23      LEU  36  -9.358  -5.634  -1.659
  268    H    ASP  37           HN       ASP  37 -10.721  -0.968  -2.336
  269    HA   ASP  37           HA       ASP  37 -12.608   0.745  -2.670
  270    HB2  ASP  37           HB2      ASP  37 -14.394  -0.865  -1.828
  271    HB3  ASP  37           HB1      ASP  37 -13.694  -0.722  -0.234
  272    H    VAL  38           HN       VAL  38 -10.316   1.412  -2.154
  273    HA   VAL  38           HA       VAL  38 -10.198   2.039   0.664
  274    HB   VAL  38           HB       VAL  38  -8.173   1.255  -0.640
  275   HG11  VAL  38          HG11      VAL  38  -6.906   2.948  -1.905
  276   HG12  VAL  38          HG12      VAL  38  -8.277   4.048  -1.754
  277   HG13  VAL  38          HG13      VAL  38  -8.451   2.541  -2.654
  278   HG21  VAL  38          HG21      VAL  38  -7.961   3.860   0.860
  279   HG22  VAL  38          HG22      VAL  38  -6.608   2.781   0.519
  280   HG23  VAL  38          HG23      VAL  38  -7.931   2.237   1.550
  281    H    ASP  39           HN       ASP  39  -9.794   4.349   1.213
  282    HA   ASP  39           HA       ASP  39 -11.462   6.004  -0.537
  283    HB2  ASP  39           HB2      ASP  39 -12.264   5.453   1.777
  284    HB3  ASP  39           HB1      ASP  39 -10.862   6.296   2.412
  285    H    SER  40           HN       SER  40  -8.532   5.342  -0.442
  286    HA   SER  40           HA       SER  40  -6.490   6.123  -0.717
  287    HB2  SER  40           HB2      SER  40  -6.171   8.100  -2.089
  288    HB3  SER  40           HB1      SER  40  -7.522   7.134  -2.680
  289    H    LEU  41           HN       LEU  41  -8.326   8.139   1.333
  290    HA   LEU  41           HA       LEU  41  -6.149   9.780   2.247
  291    HB2  LEU  41           HB2      LEU  41  -8.835   9.257   3.541
  292    HB3  LEU  41           HB1      LEU  41  -7.744  10.577   3.908
  293    HG   LEU  41           HG       LEU  41  -9.233  10.209   1.308
  294   HD11  LEU  41          HD11      LEU  41 -10.498  12.179   2.015
  295   HD12  LEU  41          HD12      LEU  41  -9.651  12.162   3.560
  296   HD13  LEU  41          HD13      LEU  41 -10.717  10.830   3.128
  297   HD21  LEU  41          HD21      LEU  41  -7.478  12.476   2.250
  298   HD22  LEU  41          HD22      LEU  41  -8.420  12.448   0.758
  299   HD23  LEU  41          HD23      LEU  41  -7.086  11.317   0.980
  300    H    SER  42           HN       SER  42  -7.713   6.801   2.975
  301    HA   SER  42           HA       SER  42  -6.629   6.198   5.456
  302    HB2  SER  42           HB2      SER  42  -6.965   3.825   3.981
  303    HB3  SER  42           HB1      SER  42  -8.109   4.593   5.063
  304    HG   SER  42           HG       SER  42  -9.087   5.663   3.483
  305    H    MET  43           HN       MET  43  -5.637   5.957   2.129
  306    HA   MET  43           HA       MET  43  -3.464   4.206   2.548
  307    HB2  MET  43           HB2      MET  43  -4.715   4.819   0.352
  308    HB3  MET  43           HB1      MET  43  -3.515   6.110   0.266
  309    HG2  MET  43           HG2      MET  43  -2.564   4.366  -0.923
  310    HG3  MET  43           HG1      MET  43  -1.792   4.273   0.669
  311    HE1  MET  43           HE1      MET  43  -4.240   2.750  -1.840
  312    HE2  MET  43           HE2      MET  43  -5.311   3.342  -0.585
  313    HE3  MET  43           HE3      MET  43  -5.184   1.612  -0.873
  314    H    VAL  44           HN       VAL  44  -3.907   7.598   2.904
  315    HA   VAL  44           HA       VAL  44  -1.203   8.295   2.584
  316    HB   VAL  44           HB       VAL  44  -3.300   9.763   4.209
  317   HG11  VAL  44          HG11      VAL  44  -1.940  11.749   3.738
  318   HG12  VAL  44          HG12      VAL  44  -0.760  10.734   2.907
  319   HG13  VAL  44          HG13      VAL  44  -1.032  10.534   4.638
  320   HG21  VAL  44          HG21      VAL  44  -4.110   9.368   1.926
  321   HG22  VAL  44          HG22      VAL  44  -2.630  10.008   1.262
  322   HG23  VAL  44          HG23      VAL  44  -3.720  11.068   2.144
  323    H    GLU  45           HN       GLU  45  -3.220   7.421   5.351
  324    HA   GLU  45           HA       GLU  45  -1.098   7.592   7.251
  325    HB2  GLU  45           HB2      GLU  45  -3.717   6.074   7.392
  326    HB3  GLU  45           HB1      GLU  45  -2.686   6.492   8.749
  327    HG2  GLU  45           HG2      GLU  45  -4.106   8.496   7.001
  328    HG3  GLU  45           HG1      GLU  45  -4.719   7.896   8.539
  329    H    VAL  46           HN       VAL  46  -2.532   5.123   5.164
  330    HA   VAL  46           HA       VAL  46  -1.122   2.901   6.109
  331    HB   VAL  46           HB       VAL  46  -2.025   3.407   3.217
  332   HG11  VAL  46          HG11      VAL  46  -1.963   0.996   2.927
  333   HG12  VAL  46          HG12      VAL  46  -1.309   0.809   4.548
  334   HG13  VAL  46          HG13      VAL  46  -0.347   1.621   3.296
  335   HG21  VAL  46          HG21      VAL  46  -3.381   1.887   5.441
  336   HG22  VAL  46          HG22      VAL  46  -3.916   1.924   3.767
  337   HG23  VAL  46          HG23      VAL  46  -3.922   3.408   4.724
  338    H    VAL  47           HN       VAL  47  -0.199   5.472   3.924
  339    HA   VAL  47           HA       VAL  47   2.309   4.540   3.030
  340    HB   VAL  47           HB       VAL  47   0.972   7.246   3.281
  341   HG11  VAL  47          HG11      VAL  47   3.345   7.665   3.782
  342   HG12  VAL  47          HG12      VAL  47   2.888   8.317   2.208
  343   HG13  VAL  47          HG13      VAL  47   3.798   6.810   2.306
  344   HG21  VAL  47          HG21      VAL  47   2.022   5.668   0.946
  345   HG22  VAL  47          HG22      VAL  47   1.203   7.228   0.854
  346   HG23  VAL  47          HG23      VAL  47   0.335   5.811   1.444
  347    H    VAL  48           HN       VAL  48   1.696   6.876   5.639
  348    HA   VAL  48           HA       VAL  48   4.406   6.800   6.388
  349    HB   VAL  48           HB       VAL  48   2.057   7.657   8.124
  350   HG11  VAL  48          HG11      VAL  48   3.692   9.046   9.313
  351   HG12  VAL  48          HG12      VAL  48   4.990   8.372   8.326
  352   HG13  VAL  48          HG13      VAL  48   4.099   7.334   9.439
  353   HG21  VAL  48          HG21      VAL  48   3.802   9.210   6.244
  354   HG22  VAL  48          HG22      VAL  48   2.582   9.920   7.308
  355   HG23  VAL  48          HG23      VAL  48   2.104   8.820   6.000
  356    H    ALA  49           HN       ALA  49   1.878   4.685   7.077
  357    HA   ALA  49           HA       ALA  49   3.178   3.371   9.280
  358    HB1  ALA  49           HB1      ALA  49   1.411   1.667   8.969
  359    HB2  ALA  49           HB2      ALA  49   0.924   2.472   7.477
  360    HB3  ALA  49           HB3      ALA  49   0.740   3.298   9.016
  361    H    ALA  50           HN       ALA  50   2.680   2.691   5.837
  362    HA   ALA  50           HA       ALA  50   4.168   0.318   5.687
  363    HB1  ALA  50           HB1      ALA  50   4.074   0.595   3.278
  364    HB2  ALA  50           HB2      ALA  50   3.569   2.275   3.478
  365    HB3  ALA  50           HB3      ALA  50   2.513   0.966   4.012
  366    H    GLU  51           HN       GLU  51   5.081   3.687   5.220
  367    HA   GLU  51           HA       GLU  51   7.543   3.452   4.039
  368    HB2  GLU  51           HB2      GLU  51   6.600   5.360   6.112
  369    HB3  GLU  51           HB1      GLU  51   8.067   5.600   5.217
  370    HG2  GLU  51           HG2      GLU  51   6.815   5.764   3.147
  371    HG3  GLU  51           HG1      GLU  51   5.309   5.490   4.012
  372    H    GLU  52           HN       GLU  52   6.517   3.312   7.295
  373    HA   GLU  52           HA       GLU  52   9.149   3.291   8.438
  374    HB2  GLU  52           HB2      GLU  52   7.314   4.391   9.565
  375    HB3  GLU  52           HB1      GLU  52   6.425   2.879   9.648
  376    HG2  GLU  52           HG2      GLU  52   8.067   1.967  11.164
  377    HG3  GLU  52           HG1      GLU  52   9.044   3.431  11.015
  378    H    ARG  53           HN       ARG  53   6.590   0.936   7.854
  379    HA   ARG  53           HA       ARG  53   7.961  -1.086   9.334
  380    HB2  ARG  53           HB2      ARG  53   6.172  -2.581   8.611
  381    HB3  ARG  53           HB1      ARG  53   5.569  -1.061   9.273
  382    HG2  ARG  53           HG2      ARG  53   4.886  -0.290   7.212
  383    HG3  ARG  53           HG1      ARG  53   5.821  -1.509   6.339
  384    HD2  ARG  53           HD2      ARG  53   3.401  -1.978   6.389
  385    HD3  ARG  53           HD1      ARG  53   4.400  -3.241   7.101
  386    HE   ARG  53           HE       ARG  53   2.986  -1.239   8.769
  387   HH11  ARG  53          HH11      ARG  53   3.923  -4.588   8.176
  388   HH12  ARG  53          HH12      ARG  53   2.935  -5.213   9.422
  389   HH21  ARG  53          HH21      ARG  53   1.619  -2.103  10.446
  390   HH22  ARG  53          HH22      ARG  53   1.516  -3.791  10.649
  391    H    PHE  54           HN       PHE  54   7.795  -0.150   5.996
  392    HA   PHE  54           HA       PHE  54   9.248  -2.557   5.284
  393    HB2  PHE  54           HB2      PHE  54   8.036  -0.426   3.521
  394    HB3  PHE  54           HB1      PHE  54   8.866  -1.875   2.969
  395    HD1  PHE  54           HD1      PHE  54   7.897  -4.047   4.399
  396    HD2  PHE  54           HD2      PHE  54   5.776  -0.568   3.219
  397    HE1  PHE  54           HE1      PHE  54   5.792  -5.307   4.480
  398    HE2  PHE  54           HE2      PHE  54   3.668  -1.817   3.306
  399    HZ   PHE  54           HZ       PHE  54   3.673  -4.188   3.939
  400    H    ASP  55           HN       ASP  55   9.814   0.614   6.173
  401    HA   ASP  55           HA       ASP  55  11.670   1.845   6.420
  402    HB2  ASP  55           HB2      ASP  55  12.664  -0.241   7.263
  403    HB3  ASP  55           HB1      ASP  55  13.081  -0.731   5.631
  404    H    VAL  56           HN       VAL  56  10.392   1.284   3.661
  405    HA   VAL  56           HA       VAL  56  12.648   2.206   2.031
  406    HB   VAL  56           HB       VAL  56  11.613   0.157   1.193
  407   HG11  VAL  56          HG11      VAL  56   9.389   0.207   0.191
  408   HG12  VAL  56          HG12      VAL  56   9.112   1.785   0.943
  409   HG13  VAL  56          HG13      VAL  56   9.383   0.357   1.951
  410   HG21  VAL  56          HG21      VAL  56  11.230   0.832  -1.137
  411   HG22  VAL  56          HG22      VAL  56  12.632   1.642  -0.435
  412   HG23  VAL  56          HG23      VAL  56  11.114   2.513  -0.618
  413    H    LYS  57           HN       LYS  57   9.464   3.025   2.990
  414    HA   LYS  57           HA       LYS  57   8.266   4.935   2.953
  415    HB2  LYS  57           HB2      LYS  57  10.084   6.104   3.868
  416    HB3  LYS  57           HB1      LYS  57  10.965   6.102   2.356
  417    HG2  LYS  57           HG2      LYS  57   9.528   7.766   1.421
  418    HG3  LYS  57           HG1      LYS  57   8.422   7.657   2.795
  419    HD2  LYS  57           HD2      LYS  57  11.313   8.462   3.072
  420    HD3  LYS  57           HD1      LYS  57  10.017   9.626   2.792
  421    HE2  LYS  57           HE2      LYS  57   9.947   7.668   5.091
  422    HE3  LYS  57           HE1      LYS  57  10.703   9.261   5.225
  423    HZ1  LYS  57           HZ1      LYS  57   7.856   8.773   4.472
  424    HZ2  LYS  57           HZ2      LYS  57   8.585  10.262   4.746
  425    HZ3  LYS  57           HZ3      LYS  57   8.403   9.165   6.019
  426    H    ILE  58           HN       ILE  58   6.673   5.094   1.578
  427    HA   ILE  58           HA       ILE  58   7.233   5.805  -1.220
  428    HB   ILE  58           HB       ILE  58   4.729   4.248  -0.397
  429   HG12  ILE  58          HG12      ILE  58   5.946   2.245  -1.552
  430   HG13  ILE  58          HG11      ILE  58   7.409   3.145  -1.134
  431   HG21  ILE  58          HG21      ILE  58   4.528   5.437  -2.443
  432   HG22  ILE  58          HG22      ILE  58   4.555   3.718  -2.734
  433   HG23  ILE  58          HG23      ILE  58   5.990   4.679  -3.071
  434   HD11  ILE  58          HD11      ILE  58   5.355   2.183   0.840
  435   HD12  ILE  58          HD12      ILE  58   6.836   3.061   1.211
  436   HD13  ILE  58          HD13      ILE  58   6.925   1.434   0.530
  437    HA   PRO  59           HA       PRO  59   4.969   9.246   0.759
  438    HB2  PRO  59           HB2      PRO  59   5.336  10.287  -2.007
  439    HB3  PRO  59           HB1      PRO  59   5.662  11.077  -0.458
  440    HG2  PRO  59           HG2      PRO  59   7.676  10.189  -1.939
  441    HG3  PRO  59           HG1      PRO  59   7.690   9.973  -0.176
  442    HD2  PRO  59           HD2      PRO  59   7.074   7.979  -2.316
  443    HD3  PRO  59           HD1      PRO  59   8.001   7.775  -0.815
  444    H    ASP  60           HN       ASP  60   2.799   9.797   0.631
  445    HA   ASP  60           HA       ASP  60   1.029   8.224  -0.850
  446    HB2  ASP  60           HB2      ASP  60  -0.777   9.717  -0.118
  447    HB3  ASP  60           HB1      ASP  60   0.318   9.388   1.207
  448    H    ASP  61           HN       ASP  61   2.651  11.092  -1.750
  449    HA   ASP  61           HA       ASP  61   1.097  11.760  -4.069
  450    HB2  ASP  61           HB2      ASP  61   2.563  13.393  -2.910
  451    HB3  ASP  61           HB1      ASP  61   3.960  12.425  -3.361
  452    H    ASP  62           HN       ASP  62   3.516   9.483  -3.346
  453    HA   ASP  62           HA       ASP  62   4.290   9.058  -6.157
  454    HB2  ASP  62           HB2      ASP  62   6.163   8.970  -4.451
  455    HB3  ASP  62           HB1      ASP  62   5.354   7.595  -3.706
  456    H    VAL  63           HN       VAL  63   3.024   7.471  -3.442
  457    HA   VAL  63           HA       VAL  63   2.538   4.932  -4.423
  458    HB   VAL  63           HB       VAL  63   2.353   5.943  -2.023
  459   HG11  VAL  63          HG11      VAL  63   0.072   6.074  -1.156
  460   HG12  VAL  63          HG12      VAL  63  -0.540   5.981  -2.800
  461   HG13  VAL  63          HG13      VAL  63   0.451   7.352  -2.307
  462   HG21  VAL  63          HG21      VAL  63   0.723   3.616  -2.958
  463   HG22  VAL  63          HG22      VAL  63   1.191   3.923  -1.286
  464   HG23  VAL  63          HG23      VAL  63   2.424   3.612  -2.508
  465    H    LYS  64           HN       LYS  64   0.817   7.763  -5.150
  466    HA   LYS  64           HA       LYS  64  -1.611   6.678  -5.903
  467    HB2  LYS  64           HB2      LYS  64  -1.967   8.659  -7.274
  468    HB3  LYS  64           HB1      LYS  64  -1.202   9.114  -5.762
  469    HG2  LYS  64           HG2      LYS  64   0.941   9.303  -6.866
  470    HG3  LYS  64           HG1      LYS  64   0.226   8.761  -8.381
  471    HD2  LYS  64           HD2      LYS  64   0.508  11.154  -8.391
  472    HD3  LYS  64           HD1      LYS  64  -1.216  10.750  -8.377
  473    HE2  LYS  64           HE2      LYS  64  -1.364  11.278  -6.041
  474    HE3  LYS  64           HE1      LYS  64   0.386  11.453  -5.927
  475    HZ1  LYS  64           HZ1      LYS  64  -0.649  13.585  -5.996
  476    HZ2  LYS  64           HZ2      LYS  64  -1.460  13.240  -7.441
  477    HZ3  LYS  64           HZ3      LYS  64   0.239  13.343  -7.414
  478    H    ASN  65           HN       ASN  65   1.492   6.733  -7.396
  479    HA   ASN  65           HA       ASN  65   0.531   5.815  -9.967
  480    HB2  ASN  65           HB2      ASN  65   2.762   6.197 -10.853
  481    HB3  ASN  65           HB1      ASN  65   2.480   7.376  -9.564
  482   HD21  ASN  65          HD21      ASN  65   4.159   7.862  -8.490
  483   HD22  ASN  65          HD22      ASN  65   5.380   6.797  -7.937
  484    H    LEU  66           HN       LEU  66   0.590   4.436  -7.218
  485    HA   LEU  66           HA       LEU  66   1.414   1.799  -8.238
  486    HB2  LEU  66           HB2      LEU  66   1.376   2.751  -5.397
  487    HB3  LEU  66           HB1      LEU  66   1.797   1.151  -6.006
  488    HG   LEU  66           HG       LEU  66   3.288   3.720  -6.560
  489   HD11  LEU  66          HD11      LEU  66   3.525   3.093  -4.245
  490   HD12  LEU  66          HD12      LEU  66   5.044   2.847  -5.108
  491   HD13  LEU  66          HD13      LEU  66   4.025   1.465  -4.708
  492   HD21  LEU  66          HD21      LEU  66   3.545   2.178  -8.352
  493   HD22  LEU  66          HD22      LEU  66   3.987   0.877  -7.229
  494   HD23  LEU  66          HD23      LEU  66   5.053   2.272  -7.445
  495    H    LYS  67           HN       LYS  67  -0.978   3.105  -8.567
  496    HA   LYS  67           HA       LYS  67  -3.202   2.813  -7.187
  497    HB2  LYS  67           HB2      LYS  67  -4.403   2.175  -9.253
  498    HB3  LYS  67           HB1      LYS  67  -3.271   3.508  -9.440
  499    HG2  LYS  67           HG2      LYS  67  -1.675   2.123 -10.504
  500    HG3  LYS  67           HG1      LYS  67  -2.591   0.661 -10.163
  501    HD2  LYS  67           HD2      LYS  67  -2.927   1.289 -12.490
  502    HD3  LYS  67           HD1      LYS  67  -4.426   1.595 -11.616
  503    HE2  LYS  67           HE2      LYS  67  -4.041   3.466 -13.045
  504    HE3  LYS  67           HE1      LYS  67  -3.712   3.985 -11.396
  505    HZ1  LYS  67           HZ1      LYS  67  -1.752   3.342 -13.521
  506    HZ2  LYS  67           HZ2      LYS  67  -1.294   3.483 -11.944
  507    HZ3  LYS  67           HZ3      LYS  67  -1.966   4.830 -12.736
  508    H    THR  68           HN       THR  68  -1.371  -0.114  -7.998
  509    HA   THR  68           HA       THR  68  -3.598  -1.585  -6.874
  510    HB   THR  68           HB       THR  68  -2.719  -3.670  -7.927
  511    HG1  THR  68           HG1      THR  68  -1.266  -2.209  -9.790
  512   HG21  THR  68          HG21      THR  68  -3.503  -3.178 -10.199
  513   HG22  THR  68          HG22      THR  68  -3.389  -1.445  -9.834
  514   HG23  THR  68          HG23      THR  68  -4.529  -2.461  -8.952
  515    H    VAL  69           HN       VAL  69  -2.960  -3.597  -5.683
  516    HA   VAL  69           HA       VAL  69  -1.193  -2.893  -3.578
  517    HB   VAL  69           HB       VAL  69  -2.060  -5.655  -4.381
  518   HG11  VAL  69          HG11      VAL  69  -0.289  -5.462  -2.816
  519   HG12  VAL  69          HG12      VAL  69  -1.776  -6.128  -2.044
  520   HG13  VAL  69          HG13      VAL  69  -1.283  -4.432  -1.781
  521   HG21  VAL  69          HG21      VAL  69  -4.038  -4.262  -4.177
  522   HG22  VAL  69          HG22      VAL  69  -3.501  -3.723  -2.584
  523   HG23  VAL  69          HG23      VAL  69  -3.934  -5.412  -2.845
  524    H    GLY  70           HN       GLY  70  -0.913  -5.053  -6.317
  525    HA2  GLY  70           HA2      GLY  70   1.701  -5.941  -5.791
  526    HA3  GLY  70           HA1      GLY  70   0.847  -6.059  -7.322
  527    H    ASP  71           HN       ASP  71   0.437  -3.132  -7.412
  528    HA   ASP  71           HA       ASP  71   2.792  -2.395  -8.816
  529    HB2  ASP  71           HB2      ASP  71   0.263  -1.407  -8.705
  530    HB3  ASP  71           HB1      ASP  71   1.084  -0.335  -7.604
  531    H    ALA  72           HN       ALA  72   1.407  -1.607  -5.694
  532    HA   ALA  72           HA       ALA  72   3.492   0.080  -4.674
  533    HB1  ALA  72           HB1      ALA  72   1.586  -1.729  -3.199
  534    HB2  ALA  72           HB2      ALA  72   1.269  -0.054  -3.653
  535    HB3  ALA  72           HB3      ALA  72   2.544  -0.430  -2.495
  536    H    THR  73           HN       THR  73   2.734  -3.292  -4.161
  537    HA   THR  73           HA       THR  73   4.917  -4.057  -2.674
  538    HB   THR  73           HB       THR  73   3.372  -5.673  -4.720
  539    HG1  THR  73           HG1      THR  73   1.945  -4.874  -3.227
  540   HG21  THR  73          HG21      THR  73   5.424  -6.820  -3.966
  541   HG22  THR  73          HG22      THR  73   3.963  -7.607  -3.358
  542   HG23  THR  73          HG23      THR  73   4.920  -6.587  -2.290
  543    H    LYS  74           HN       LYS  74   4.665  -3.557  -6.127
  544    HA   LYS  74           HA       LYS  74   6.975  -4.961  -6.974
  545    HB2  LYS  74           HB2      LYS  74   4.914  -3.808  -8.246
  546    HB3  LYS  74           HB1      LYS  74   6.060  -2.491  -8.362
  547    HG2  LYS  74           HG2      LYS  74   6.280  -3.682 -10.356
  548    HG3  LYS  74           HG1      LYS  74   7.660  -4.191  -9.376
  549    HD2  LYS  74           HD2      LYS  74   6.610  -6.127 -10.448
  550    HD3  LYS  74           HD1      LYS  74   6.417  -6.199  -8.692
  551    HE2  LYS  74           HE2      LYS  74   4.146  -5.330  -8.875
  552    HE3  LYS  74           HE1      LYS  74   4.322  -5.180 -10.618
  553    HZ1  LYS  74           HZ1      LYS  74   4.491  -7.570 -10.784
  554    HZ2  LYS  74           HZ2      LYS  74   3.091  -7.132  -9.938
  555    HZ3  LYS  74           HZ3      LYS  74   4.422  -7.726  -9.091
  556    H    TYR  75           HN       TYR  75   6.258  -1.539  -6.337
  557    HA   TYR  75           HA       TYR  75   8.819  -0.519  -6.756
  558    HB2  TYR  75           HB2      TYR  75   6.806   0.811  -6.929
  559    HB3  TYR  75           HB1      TYR  75   6.409   0.488  -5.247
  560    HD1  TYR  75           HD1      TYR  75   9.133   1.962  -7.328
  561    HD2  TYR  75           HD2      TYR  75   6.952   2.060  -3.703
  562    HE1  TYR  75           HE1      TYR  75  10.313   4.005  -6.701
  563    HE2  TYR  75           HE2      TYR  75   8.124   4.102  -3.033
  564    HH   TYR  75           HH       TYR  75   9.974   5.977  -5.189
  565    H    ILE  76           HN       ILE  76   7.017  -1.328  -3.860
  566    HA   ILE  76           HA       ILE  76   8.848  -0.489  -1.963
  567    HB   ILE  76           HB       ILE  76   6.677  -2.607  -1.767
  568   HG12  ILE  76          HG12      ILE  76   6.687   0.330  -1.018
  569   HG13  ILE  76          HG11      ILE  76   5.942  -0.364  -2.445
  570   HG21  ILE  76          HG21      ILE  76   8.357  -2.796   0.072
  571   HG22  ILE  76          HG22      ILE  76   6.739  -2.379   0.605
  572   HG23  ILE  76          HG23      ILE  76   7.972  -1.135   0.546
  573   HD11  ILE  76          HD11      ILE  76   4.395  -1.615  -1.041
  574   HD12  ILE  76          HD12      ILE  76   4.308   0.124  -0.765
  575   HD13  ILE  76          HD13      ILE  76   5.139  -0.909   0.404
  576    H    LEU  77           HN       LEU  77   8.341  -3.761  -3.321
  577    HA   LEU  77           HA       LEU  77  10.214  -5.115  -1.735
  578    HB2  LEU  77           HB2      LEU  77   8.336  -6.079  -2.922
  579    HB3  LEU  77           HB1      LEU  77   9.102  -5.803  -4.460
  580    HG   LEU  77           HG       LEU  77  10.247  -7.684  -2.375
  581   HD11  LEU  77          HD11      LEU  77   7.997  -8.421  -3.035
  582   HD12  LEU  77          HD12      LEU  77   9.224  -9.489  -3.716
  583   HD13  LEU  77          HD13      LEU  77   8.443  -8.278  -4.735
  584   HD21  LEU  77          HD21      LEU  77  11.419  -8.670  -4.290
  585   HD22  LEU  77          HD22      LEU  77  11.810  -6.956  -4.136
  586   HD23  LEU  77          HD23      LEU  77  10.666  -7.492  -5.364
  587    H    ASP  78           HN       ASP  78  10.299  -3.653  -4.923
  588    HA   ASP  78           HA       ASP  78  12.845  -4.551  -5.791
  589    HB2  ASP  78           HB2      ASP  78  11.112  -3.794  -7.284
  590    HB3  ASP  78           HB1      ASP  78  11.168  -2.186  -6.587
  591    H    HIS  79           HN       HIS  79  11.739  -1.794  -4.031
  592    HA   HIS  79           HA       HIS  79  14.363  -0.555  -4.137
  593    HB2  HIS  79           HB2      HIS  79  11.648   0.493  -3.537
  594    HB3  HIS  79           HB1      HIS  79  13.048   1.409  -3.023
  595    HD1  HIS  79           HD1      HIS  79  14.364   2.622  -4.855
  596    HD2  HIS  79           HD2      HIS  79  11.269   0.288  -6.335
  597    HE1  HIS  79           HE1      HIS  79  14.100   3.287  -7.274
  598    HE2  HIS  79           HE2      HIS  79  12.265   1.818  -8.165
  599    H    GLN  80           HN       GLN  80  13.164  -2.756  -2.264
  600    HA   GLN  80           HA       GLN  80  13.203  -2.003   0.375
  601    HB2  GLN  80           HB2      GLN  80  14.074  -4.515  -0.984
  602    HB3  GLN  80           HB1      GLN  80  14.149  -4.380   0.784
  603    HG2  GLN  80           HG2      GLN  80  11.715  -3.991  -0.925
  604    HG3  GLN  80           HG1      GLN  80  12.160  -5.502  -0.139
  605   HE21  GLN  80          HE21      GLN  80   9.905  -3.633   0.132
  606   HE22  GLN  80          HE22      GLN  80   9.773  -3.352   1.827
  607    H    ALA  81           HN       ALA  81  14.554  -0.952   1.513
  608    HA   ALA  81           HA       ALA  81  16.353  -0.141   2.532
  609    HB1  ALA  81           HB1      ALA  81  18.153  -1.666   3.065
  610    HB2  ALA  81           HB2      ALA  81  17.621  -2.768   1.797
  611    HB3  ALA  81           HB3      ALA  81  16.596  -2.482   3.206
  612    H28  SXH 101          H28B      SXH 101  -5.073   9.810  -2.430
  613   H28A  SXH 101          H28A      SXH 101  -5.480   9.959  -0.751
  614    H30  SXH 101          H30C      SXH 101  -4.039  13.226  -0.119
  615   H30A  SXH 101          H30A      SXH 101  -4.822  11.812   0.589
  616   H30B  SXH 101          H30B      SXH 101  -5.732  12.879  -0.481
  617    H31  SXH 101          H31A      SXH 101  -3.080  10.340  -0.312
  618   H31A  SXH 101          H31C      SXH 101  -2.764  10.364  -2.059
  619   H31B  SXH 101          H31B      SXH 101  -2.285  11.742  -1.065
  620    H32  SXH 101          H32A      SXH 101  -5.137  12.837  -3.096
  621   HO33  SXH 101          H33A      SXH 101  -2.611  13.466  -3.144
  622   HN36  SXH 101          H36A      SXH 101  -5.127  10.701  -4.132
  623    H37  SXH 101          H37A      SXH 101  -3.745  10.586  -6.466
  624   H37A  SXH 101          H37B      SXH 101  -2.707   9.701  -5.350
  625    H38  SXH 101          H38A      SXH 101  -5.567   9.054  -5.943
  626   H38A  SXH 101          H38B      SXH 101  -4.107   8.262  -6.589
  627   HN41  SXH 101          H41A      SXH 101  -2.682   8.447  -3.989
  628    H42  SXH 101          H42A      SXH 101  -2.224   7.173  -2.304
  629   H42A  SXH 101          H42B      SXH 101  -3.944   7.273  -1.860
  630    H43  SXH 101          H43A      SXH 101  -4.373   5.277  -3.087
  631   H43A  SXH 101          H43B      SXH 101  -2.837   4.900  -2.249
  632    H2   SXH 101           H2A      SXH 101  -1.253   3.546  -2.887
  633    H2A  SXH 101           H2B      SXH 101  -0.765   2.839  -4.404
  634    H3   SXH 101           H3A      SXH 101  -1.989   0.917  -4.103
  635    H3A  SXH 101           H3B      SXH 101  -2.755   1.505  -2.618
  636    H4   SXH 101           H4B      SXH 101  -0.921  -0.102  -2.194
  637    H4A  SXH 101           H4A      SXH 101   0.197   0.997  -3.000
  638    H5   SXH 101           H5A      SXH 101  -1.366   1.556  -0.476
  639    H5A  SXH 101           H5B      SXH 101  -0.296   2.705  -1.296
  640    H6   SXH 101           H6C      SXH 101   0.825   1.621   0.559
  641    H6A  SXH 101           H6A      SXH 101   1.568   1.179  -0.978
  642    H6B  SXH 101           H6B      SXH 101   0.500   0.040  -0.154
  Start of MODEL   17
    1    H1   ALA   1           HT1      ALA   1  14.921  -7.488   5.065
    2    H2   ALA   1           HT2      ALA   1  14.286  -9.027   4.684
    3    H3   ALA   1           HT3      ALA   1  13.366  -7.943   5.578
    4    HA   ALA   1           HA       ALA   1  13.220  -6.439   3.745
    5    HB1  ALA   1           HB1      ALA   1  14.634  -8.638   2.229
    6    HB2  ALA   1           HB2      ALA   1  15.298  -7.042   2.602
    7    HB3  ALA   1           HB3      ALA   1  13.920  -7.194   1.517
    8    H    ALA   2           HN       ALA   2  11.235  -6.496   2.940
    9    HA   ALA   2           HA       ALA   2   9.630  -8.813   3.493
   10    HB1  ALA   2           HB1      ALA   2   8.864  -6.572   4.081
   11    HB2  ALA   2           HB2      ALA   2   7.745  -7.363   2.968
   12    HB3  ALA   2           HB3      ALA   2   8.854  -6.126   2.374
   13    H    THR   3           HN       THR   3   7.978  -9.593   1.878
   14    HA   THR   3           HA       THR   3   9.087  -9.697  -0.807
   15    HB   THR   3           HB       THR   3   8.077 -12.009  -0.838
   16    HG1  THR   3           HG1      THR   3   7.854 -12.848   1.449
   17   HG21  THR   3          HG21      THR   3   9.893 -13.087   0.444
   18   HG22  THR   3          HG22      THR   3  10.230 -11.555   1.246
   19   HG23  THR   3          HG23      THR   3  10.502 -11.718  -0.489
   20    H    GLN   4           HN       GLN   4   6.910 -11.039  -1.932
   21    HA   GLN   4           HA       GLN   4   5.054  -8.982  -2.273
   22    HB2  GLN   4           HB2      GLN   4   5.440 -10.748  -3.965
   23    HB3  GLN   4           HB1      GLN   4   4.770 -11.949  -2.887
   24    HG2  GLN   4           HG2      GLN   4   3.076  -9.653  -3.838
   25    HG3  GLN   4           HG1      GLN   4   3.370 -11.033  -4.884
   26   HE21  GLN   4          HE21      GLN   4   1.773  -9.912  -2.026
   27   HE22  GLN   4          HE22      GLN   4   0.781 -11.288  -1.752
   28    H    GLU   5           HN       GLU   5   4.782 -11.989  -0.419
   29    HA   GLU   5           HA       GLU   5   2.201 -11.465   0.522
   30    HB2  GLU   5           HB2      GLU   5   3.209 -13.677   0.424
   31    HB3  GLU   5           HB1      GLU   5   4.381 -13.202   1.642
   32    HG2  GLU   5           HG2      GLU   5   2.652 -12.927   3.254
   33    HG3  GLU   5           HG1      GLU   5   1.412 -13.337   2.062
   34    H    GLU   6           HN       GLU   6   5.374 -10.781   1.816
   35    HA   GLU   6           HA       GLU   6   4.522 -10.007   4.410
   36    HB2  GLU   6           HB2      GLU   6   7.014  -9.295   2.915
   37    HB3  GLU   6           HB1      GLU   6   6.736  -8.928   4.604
   38    HG2  GLU   6           HG2      GLU   6   6.643 -11.677   3.471
   39    HG3  GLU   6           HG1      GLU   6   8.095 -10.978   4.222
   40    H    ILE   7           HN       ILE   7   5.447  -7.991   1.564
   41    HA   ILE   7           HA       ILE   7   4.852  -5.526   2.692
   42    HB   ILE   7           HB       ILE   7   4.571  -6.465  -0.172
   43   HG12  ILE   7          HG12      ILE   7   6.814  -4.982   1.190
   44   HG13  ILE   7          HG11      ILE   7   6.799  -6.716   0.885
   45   HG21  ILE   7          HG21      ILE   7   4.738  -3.653   0.937
   46   HG22  ILE   7          HG22      ILE   7   3.310  -4.391   0.215
   47   HG23  ILE   7          HG23      ILE   7   4.739  -4.086  -0.773
   48   HD11  ILE   7          HD11      ILE   7   6.671  -6.297  -1.491
   49   HD12  ILE   7          HD12      ILE   7   8.085  -5.527  -0.769
   50   HD13  ILE   7          HD13      ILE   7   6.669  -4.563  -1.187
   51    H    VAL   8           HN       VAL   8   2.894  -7.701   0.766
   52    HA   VAL   8           HA       VAL   8   0.561  -6.162   0.700
   53    HB   VAL   8           HB       VAL   8   0.896  -9.167   0.455
   54   HG11  VAL   8          HG11      VAL   8  -1.407  -9.245  -0.403
   55   HG12  VAL   8          HG12      VAL   8  -1.607  -7.533  -0.031
   56   HG13  VAL   8          HG13      VAL   8  -1.393  -8.698   1.276
   57   HG21  VAL   8          HG21      VAL   8   0.424  -8.670  -1.902
   58   HG22  VAL   8          HG22      VAL   8   1.857  -7.837  -1.303
   59   HG23  VAL   8          HG23      VAL   8   0.346  -6.952  -1.502
   60    H    ALA   9           HN       ALA   9   1.372  -8.758   3.027
   61    HA   ALA   9           HA       ALA   9  -0.975  -8.574   4.542
   62    HB1  ALA   9           HB1      ALA   9   0.263  -9.716   6.300
   63    HB2  ALA   9           HB2      ALA   9   1.785  -9.336   5.502
   64    HB3  ALA   9           HB3      ALA   9   0.633 -10.429   4.729
   65    H    GLY  10           HN       GLY  10   1.935  -6.647   4.622
   66    HA2  GLY  10           HA2      GLY  10   1.423  -5.412   7.140
   67    HA3  GLY  10           HA1      GLY  10   2.638  -4.937   5.958
   68    H    LEU  11           HN       LEU  11   1.108  -4.487   3.755
   69    HA   LEU  11           HA       LEU  11   0.001  -1.890   4.212
   70    HB2  LEU  11           HB2      LEU  11  -0.598  -3.778   1.925
   71    HB3  LEU  11           HB1      LEU  11  -0.840  -2.048   1.940
   72    HG   LEU  11           HG       LEU  11   1.825  -3.452   1.968
   73   HD11  LEU  11          HD11      LEU  11   2.045  -2.586  -0.306
   74   HD12  LEU  11          HD12      LEU  11   0.406  -1.939  -0.216
   75   HD13  LEU  11          HD13      LEU  11   0.673  -3.684  -0.156
   76   HD21  LEU  11          HD21      LEU  11   1.143  -0.519   1.777
   77   HD22  LEU  11          HD22      LEU  11   2.755  -1.214   1.615
   78   HD23  LEU  11          HD23      LEU  11   1.899  -1.324   3.152
   79    H    ALA  12           HN       ALA  12  -1.430  -5.046   3.631
   80    HA   ALA  12           HA       ALA  12  -4.065  -4.301   3.634
   81    HB1  ALA  12           HB1      ALA  12  -2.967  -6.912   4.614
   82    HB2  ALA  12           HB2      ALA  12  -3.301  -6.476   2.924
   83    HB3  ALA  12           HB3      ALA  12  -4.621  -6.555   4.099
   84    H    GLU  13           HN       GLU  13  -2.139  -5.438   6.446
   85    HA   GLU  13           HA       GLU  13  -4.299  -5.339   8.205
   86    HB2  GLU  13           HB2      GLU  13  -2.644  -5.256  10.062
   87    HB3  GLU  13           HB1      GLU  13  -2.320  -6.520   8.891
   88    HG2  GLU  13           HG2      GLU  13  -0.596  -5.136   7.878
   89    HG3  GLU  13           HG1      GLU  13  -0.922  -3.867   9.058
   90    H    ILE  14           HN       ILE  14  -2.256  -2.821   7.133
   91    HA   ILE  14           HA       ILE  14  -3.270  -0.870   8.977
   92    HB   ILE  14           HB       ILE  14  -1.944  -0.410   6.264
   93   HG12  ILE  14          HG12      ILE  14  -0.629  -0.459   8.977
   94   HG13  ILE  14          HG11      ILE  14  -0.694  -1.875   7.933
   95   HG21  ILE  14          HG21      ILE  14  -2.200   1.291   8.771
   96   HG22  ILE  14          HG22      ILE  14  -3.068   1.563   7.259
   97   HG23  ILE  14          HG23      ILE  14  -1.312   1.740   7.316
   98   HD11  ILE  14          HD11      ILE  14   1.424  -0.709   7.726
   99   HD12  ILE  14          HD12      ILE  14   0.574   0.762   7.226
  100   HD13  ILE  14          HD13      ILE  14   0.505  -0.696   6.226
  101    H    VAL  15           HN       VAL  15  -3.906  -1.566   5.536
  102    HA   VAL  15           HA       VAL  15  -5.960   0.211   4.956
  103    HB   VAL  15           HB       VAL  15  -5.658  -2.623   3.910
  104   HG11  VAL  15          HG11      VAL  15  -7.034  -0.227   2.682
  105   HG12  VAL  15          HG12      VAL  15  -7.835  -1.649   3.347
  106   HG13  VAL  15          HG13      VAL  15  -6.830  -1.799   1.912
  107   HG21  VAL  15          HG21      VAL  15  -4.337  -1.707   2.162
  108   HG22  VAL  15          HG22      VAL  15  -3.634  -1.235   3.707
  109   HG23  VAL  15          HG23      VAL  15  -4.573  -0.066   2.766
  110    H    ASN  16           HN       ASN  16  -6.071  -2.975   6.411
  111    HA   ASN  16           HA       ASN  16  -8.801  -3.517   6.564
  112    HB2  ASN  16           HB2      ASN  16  -6.570  -4.205   8.506
  113    HB3  ASN  16           HB1      ASN  16  -8.215  -4.694   8.785
  114   HD21  ASN  16          HD21      ASN  16  -6.727  -4.784   5.641
  115   HD22  ASN  16          HD22      ASN  16  -6.720  -6.503   5.561
  116    H    GLU  17           HN       GLU  17  -6.760  -1.601   8.715
  117    HA   GLU  17           HA       GLU  17  -8.930  -1.220  10.532
  118    HB2  GLU  17           HB2      GLU  17  -6.117  -0.152  10.683
  119    HB3  GLU  17           HB1      GLU  17  -7.317  -0.087  11.970
  120    HG2  GLU  17           HG2      GLU  17  -7.400  -2.573  11.932
  121    HG3  GLU  17           HG1      GLU  17  -6.079  -2.552  10.773
  122    H    ILE  18           HN       ILE  18  -7.612   0.674   7.916
  123    HA   ILE  18           HA       ILE  18  -9.075   3.019   9.028
  124    HB   ILE  18           HB       ILE  18  -7.416   3.097   6.529
  125   HG12  ILE  18          HG12      ILE  18  -6.383   3.784   9.288
  126   HG13  ILE  18          HG11      ILE  18  -5.989   2.275   8.450
  127   HG21  ILE  18          HG21      ILE  18  -7.250   5.494   7.138
  128   HG22  ILE  18          HG22      ILE  18  -8.250   5.185   8.560
  129   HG23  ILE  18          HG23      ILE  18  -8.924   4.968   6.943
  130   HD11  ILE  18          HD11      ILE  18  -4.951   3.543   6.682
  131   HD12  ILE  18          HD12      ILE  18  -4.240   4.016   8.233
  132   HD13  ILE  18          HD13      ILE  18  -5.442   5.040   7.431
  133    H    ALA  19           HN       ALA  19  -8.589   1.470   5.788
  134    HA   ALA  19           HA       ALA  19 -10.980   2.660   4.760
  135    HB1  ALA  19           HB1      ALA  19  -9.236   0.505   3.576
  136    HB2  ALA  19           HB2      ALA  19  -9.029   2.240   3.338
  137    HB3  ALA  19           HB3      ALA  19 -10.472   1.432   2.725
  138    H    GLY  20           HN       GLY  20 -10.015  -0.488   5.914
  139    HA2  GLY  20           HA2      GLY  20 -11.566  -1.927   6.971
  140    HA3  GLY  20           HA1      GLY  20 -12.849  -1.194   6.017
  141    H    ILE  21           HN       ILE  21 -10.031  -1.900   4.155
  142    HA   ILE  21           HA       ILE  21 -11.466  -4.007   2.831
  143    HB   ILE  21           HB       ILE  21  -8.644  -2.984   2.386
  144   HG12  ILE  21          HG12      ILE  21 -10.258  -1.229   2.022
  145   HG13  ILE  21          HG11      ILE  21  -9.651  -1.793   0.468
  146   HG21  ILE  21          HG21      ILE  21 -10.419  -4.695   0.643
  147   HG22  ILE  21          HG22      ILE  21  -8.999  -5.246   1.530
  148   HG23  ILE  21          HG23      ILE  21  -8.817  -4.095   0.206
  149   HD11  ILE  21          HD11      ILE  21 -12.254  -2.550   1.743
  150   HD12  ILE  21          HD12      ILE  21 -11.637  -3.176   0.215
  151   HD13  ILE  21          HD13      ILE  21 -12.040  -1.450   0.368
  152    HA   PRO  22           HA       PRO  22  -9.724  -6.970   5.792
  153    HB2  PRO  22           HB2      PRO  22 -10.573  -8.917   3.723
  154    HB3  PRO  22           HB1      PRO  22 -10.976  -8.860   5.443
  155    HG2  PRO  22           HG2      PRO  22 -12.762  -8.216   3.627
  156    HG3  PRO  22           HG1      PRO  22 -12.641  -7.277   5.130
  157    HD2  PRO  22           HD2      PRO  22 -11.633  -6.601   2.387
  158    HD3  PRO  22           HD1      PRO  22 -12.430  -5.550   3.581
  159    H    VAL  23           HN       VAL  23  -8.035  -8.597   5.836
  160    HA   VAL  23           HA       VAL  23  -5.965  -7.837   4.182
  161    HB   VAL  23           HB       VAL  23  -4.619  -9.822   5.076
  162   HG11  VAL  23          HG11      VAL  23  -4.484  -7.679   6.163
  163   HG12  VAL  23          HG12      VAL  23  -4.463  -8.975   7.361
  164   HG13  VAL  23          HG13      VAL  23  -5.935  -8.034   7.099
  165   HG21  VAL  23          HG21      VAL  23  -7.132 -10.281   6.653
  166   HG22  VAL  23          HG22      VAL  23  -5.585 -11.081   6.950
  167   HG23  VAL  23          HG23      VAL  23  -6.455 -11.354   5.435
  168    H    GLU  24           HN       GLU  24  -8.383 -10.159   3.907
  169    HA   GLU  24           HA       GLU  24  -7.104 -11.918   2.022
  170    HB2  GLU  24           HB2      GLU  24  -9.928 -11.792   3.050
  171    HB3  GLU  24           HB1      GLU  24  -9.305 -13.043   1.981
  172    HG2  GLU  24           HG2      GLU  24  -8.247 -12.445   4.731
  173    HG3  GLU  24           HG1      GLU  24  -9.401 -13.722   4.350
  174    H    ASP  25           HN       ASP  25  -8.508  -8.893   1.754
  175    HA   ASP  25           HA       ASP  25  -9.419  -9.562  -0.932
  176    HB2  ASP  25           HB2      ASP  25 -10.994  -8.309   0.622
  177    HB3  ASP  25           HB1      ASP  25  -9.899  -6.938   0.479
  178    H    VAL  26           HN       VAL  26  -7.249  -7.498   0.892
  179    HA   VAL  26           HA       VAL  26  -6.023  -6.195  -1.287
  180    HB   VAL  26           HB       VAL  26  -4.898  -6.935   1.442
  181   HG11  VAL  26          HG11      VAL  26  -3.318  -5.091   1.110
  182   HG12  VAL  26          HG12      VAL  26  -3.948  -4.854  -0.522
  183   HG13  VAL  26          HG13      VAL  26  -3.127  -6.356  -0.102
  184   HG21  VAL  26          HG21      VAL  26  -6.257  -4.396   0.553
  185   HG22  VAL  26          HG22      VAL  26  -5.491  -4.653   2.120
  186   HG23  VAL  26          HG23      VAL  26  -6.911  -5.598   1.666
  187    H    LYS  27           HN       LYS  27  -5.436  -7.613  -2.852
  188    HA   LYS  27           HA       LYS  27  -3.561  -9.746  -2.102
  189    HB2  LYS  27           HB2      LYS  27  -5.401  -9.616  -4.461
  190    HB3  LYS  27           HB1      LYS  27  -4.223 -10.913  -4.192
  191    HG2  LYS  27           HG2      LYS  27  -5.403 -11.393  -2.053
  192    HG3  LYS  27           HG1      LYS  27  -6.609 -10.194  -2.511
  193    HD2  LYS  27           HD2      LYS  27  -7.128 -11.497  -4.507
  194    HD3  LYS  27           HD1      LYS  27  -5.918 -12.691  -4.037
  195    HE2  LYS  27           HE2      LYS  27  -8.394 -11.941  -2.503
  196    HE3  LYS  27           HE1      LYS  27  -8.142 -13.446  -3.394
  197    HZ1  LYS  27           HZ1      LYS  27  -7.824 -13.772  -1.054
  198    HZ2  LYS  27           HZ2      LYS  27  -6.675 -12.544  -0.958
  199    HZ3  LYS  27           HZ3      LYS  27  -6.320 -13.958  -1.775
  200    H    LEU  28           HN       LEU  28  -3.804  -8.884  -5.397
  201    HA   LEU  28           HA       LEU  28  -1.670  -6.985  -5.034
  202    HB2  LEU  28           HB2      LEU  28   0.074  -8.043  -6.134
  203    HB3  LEU  28           HB1      LEU  28  -0.672  -9.373  -5.296
  204    HG   LEU  28           HG       LEU  28  -1.871  -9.696  -7.636
  205   HD11  LEU  28          HD11      LEU  28  -0.938  -7.689  -8.623
  206   HD12  LEU  28          HD12      LEU  28  -0.346  -9.116  -9.481
  207   HD13  LEU  28          HD13      LEU  28   0.694  -8.269  -8.327
  208   HD21  LEU  28          HD21      LEU  28  -0.078 -11.256  -8.237
  209   HD22  LEU  28          HD22      LEU  28  -0.464 -11.341  -6.520
  210   HD23  LEU  28          HD23      LEU  28   0.984 -10.490  -7.056
  211    H    ASP  29           HN       ASP  29  -3.611  -8.617  -7.580
  212    HA   ASP  29           HA       ASP  29  -3.519  -6.113  -9.052
  213    HB2  ASP  29           HB2      ASP  29  -4.607  -8.830  -9.786
  214    HB3  ASP  29           HB1      ASP  29  -5.004  -7.400 -10.724
  215    H    LYS  30           HN       LYS  30  -4.408  -5.692  -6.920
  216    HA   LYS  30           HA       LYS  30  -7.277  -5.441  -7.116
  217    HB2  LYS  30           HB2      LYS  30  -5.564  -5.947  -4.669
  218    HB3  LYS  30           HB1      LYS  30  -7.188  -5.313  -4.593
  219    HG2  LYS  30           HG2      LYS  30  -6.511  -7.959  -5.829
  220    HG3  LYS  30           HG1      LYS  30  -6.976  -7.762  -4.131
  221    HD2  LYS  30           HD2      LYS  30  -9.075  -6.649  -5.002
  222    HD3  LYS  30           HD1      LYS  30  -8.599  -7.201  -6.609
  223    HE2  LYS  30           HE2      LYS  30  -8.562  -9.527  -5.728
  224    HE3  LYS  30           HE1      LYS  30  -9.191  -8.914  -4.195
  225    HZ1  LYS  30           HZ1      LYS  30 -11.140  -8.053  -5.472
  226    HZ2  LYS  30           HZ2      LYS  30 -11.033  -9.704  -5.492
  227    HZ3  LYS  30           HZ3      LYS  30 -10.517  -8.804  -6.843
  228    H    SER  31           HN       SER  31  -7.044  -3.571  -8.021
  229    HA   SER  31           HA       SER  31  -5.377  -1.490  -7.114
  230    HB2  SER  31           HB2      SER  31  -6.558  -1.506  -9.336
  231    HB3  SER  31           HB1      SER  31  -8.070  -1.215  -8.480
  232    HG   SER  31           HG       SER  31  -6.006   0.535  -7.858
  233    H    PHE  32           HN       PHE  32  -5.491  -0.629  -5.199
  234    HA   PHE  32           HA       PHE  32  -7.456  -1.027  -3.326
  235    HB2  PHE  32           HB2      PHE  32  -5.485   1.169  -3.681
  236    HB3  PHE  32           HB1      PHE  32  -6.620   1.205  -2.329
  237    HD1  PHE  32           HD2      PHE  32  -3.708  -0.449  -3.792
  238    HD2  PHE  32           HD1      PHE  32  -6.437  -0.386  -0.528
  239    HE1  PHE  32           HE2      PHE  32  -2.199  -1.851  -2.528
  240    HE2  PHE  32           HE1      PHE  32  -4.971  -1.794   0.746
  241    HZ   PHE  32           HZ       PHE  32  -2.809  -2.564  -0.220
  242    H    THR  33           HN       THR  33  -7.019   1.867  -5.387
  243    HA   THR  33           HA       THR  33  -9.539   2.996  -4.863
  244    HB   THR  33           HB       THR  33  -8.671   4.464  -6.798
  245    HG1  THR  33           HG1      THR  33  -6.224   4.123  -6.835
  246   HG21  THR  33          HG21      THR  33  -8.529   5.095  -4.416
  247   HG22  THR  33          HG22      THR  33  -7.079   5.593  -5.292
  248   HG23  THR  33          HG23      THR  33  -7.039   4.165  -4.260
  249    H    ASP  34           HN       ASP  34 -10.001   0.315  -5.968
  250    HA   ASP  34           HA       ASP  34 -11.914   0.865  -7.940
  251    HB2  ASP  34           HB2      ASP  34  -9.987   1.244  -9.464
  252    HB3  ASP  34           HB1      ASP  34  -9.436  -0.397  -9.160
  253    H    ASP  35           HN       ASP  35  -9.656  -1.676  -7.041
  254    HA   ASP  35           HA       ASP  35 -11.564  -3.850  -7.440
  255    HB2  ASP  35           HB2      ASP  35  -8.748  -3.550  -6.752
  256    HB3  ASP  35           HB1      ASP  35  -9.384  -5.035  -6.173
  257    H    LEU  36           HN       LEU  36  -9.806  -2.434  -4.810
  258    HA   LEU  36           HA       LEU  36 -11.118  -4.132  -2.922
  259    HB2  LEU  36           HB2      LEU  36  -9.326  -1.764  -2.436
  260    HB3  LEU  36           HB1      LEU  36  -9.798  -2.977  -1.256
  261    HG   LEU  36           HG       LEU  36  -8.085  -3.430  -3.697
  262   HD11  LEU  36          HD11      LEU  36  -7.470  -3.599  -0.771
  263   HD12  LEU  36          HD12      LEU  36  -6.921  -2.346  -1.888
  264   HD13  LEU  36          HD13      LEU  36  -6.377  -4.011  -2.090
  265   HD21  LEU  36          HD21      LEU  36  -9.537  -5.308  -3.313
  266   HD22  LEU  36          HD22      LEU  36  -9.035  -5.363  -1.623
  267   HD23  LEU  36          HD23      LEU  36  -7.867  -5.704  -2.905
  268    H    ASP  37           HN       ASP  37 -10.742  -0.807  -2.265
  269    HA   ASP  37           HA       ASP  37 -12.911   0.605  -2.827
  270    HB2  ASP  37           HB2      ASP  37 -14.322  -1.340  -1.757
  271    HB3  ASP  37           HB1      ASP  37 -13.721  -0.735  -0.228
  272    H    VAL  38           HN       VAL  38 -10.596   1.525  -2.301
  273    HA   VAL  38           HA       VAL  38 -10.648   2.306   0.491
  274    HB   VAL  38           HB       VAL  38  -8.550   1.436  -0.649
  275   HG11  VAL  38          HG11      VAL  38  -7.141   3.088  -1.804
  276   HG12  VAL  38          HG12      VAL  38  -8.506   4.207  -1.801
  277   HG13  VAL  38          HG13      VAL  38  -8.615   2.683  -2.683
  278   HG21  VAL  38          HG21      VAL  38  -8.453   2.435   1.555
  279   HG22  VAL  38          HG22      VAL  38  -8.370   4.052   0.852
  280   HG23  VAL  38          HG23      VAL  38  -7.040   2.919   0.621
  281    H    ASP  39           HN       ASP  39  -9.971   4.690   0.842
  282    HA   ASP  39           HA       ASP  39 -11.663   6.370  -0.877
  283    HB2  ASP  39           HB2      ASP  39 -11.881   7.727   1.050
  284    HB3  ASP  39           HB1      ASP  39 -12.327   6.073   1.503
  285    H    SER  40           HN       SER  40  -8.699   5.506  -0.754
  286    HA   SER  40           HA       SER  40  -6.596   6.192  -0.988
  287    HB2  SER  40           HB2      SER  40  -6.128   8.171  -2.287
  288    HB3  SER  40           HB1      SER  40  -7.561   7.375  -2.937
  289    H    LEU  41           HN       LEU  41  -8.434   7.784   1.312
  290    HA   LEU  41           HA       LEU  41  -6.335   9.584   2.185
  291    HB2  LEU  41           HB2      LEU  41  -9.104   9.105   3.295
  292    HB3  LEU  41           HB1      LEU  41  -7.979  10.310   3.893
  293    HG   LEU  41           HG       LEU  41  -9.232  10.284   1.147
  294   HD11  LEU  41          HD11      LEU  41 -10.427  12.275   1.930
  295   HD12  LEU  41          HD12      LEU  41  -9.717  12.067   3.531
  296   HD13  LEU  41          HD13      LEU  41 -10.830  10.857   2.897
  297   HD21  LEU  41          HD21      LEU  41  -7.419  12.307   2.458
  298   HD22  LEU  41          HD22      LEU  41  -8.212  12.497   0.895
  299   HD23  LEU  41          HD23      LEU  41  -6.989  11.247   1.119
  300    H    SER  42           HN       SER  42  -7.887   6.594   2.952
  301    HA   SER  42           HA       SER  42  -6.727   6.022   5.398
  302    HB2  SER  42           HB2      SER  42  -7.301   4.232   3.042
  303    HB3  SER  42           HB1      SER  42  -6.990   3.646   4.667
  304    HG   SER  42           HG       SER  42  -9.161   5.217   3.714
  305    H    MET  43           HN       MET  43  -5.625   5.954   2.102
  306    HA   MET  43           HA       MET  43  -3.357   4.305   2.476
  307    HB2  MET  43           HB2      MET  43  -4.655   5.153   0.315
  308    HB3  MET  43           HB1      MET  43  -3.321   6.305   0.325
  309    HG2  MET  43           HG2      MET  43  -2.639   4.487  -0.991
  310    HG3  MET  43           HG1      MET  43  -1.770   4.368   0.546
  311    HE1  MET  43           HE1      MET  43  -5.452   1.912  -0.606
  312    HE2  MET  43           HE2      MET  43  -4.639   3.082  -1.646
  313    HE3  MET  43           HE3      MET  43  -5.493   3.630  -0.214
  314    H    VAL  44           HN       VAL  44  -3.993   7.627   2.949
  315    HA   VAL  44           HA       VAL  44  -1.365   8.549   2.759
  316    HB   VAL  44           HB       VAL  44  -3.695   9.704   4.337
  317   HG11  VAL  44          HG11      VAL  44  -2.533  11.846   4.137
  318   HG12  VAL  44          HG12      VAL  44  -1.183  11.043   3.334
  319   HG13  VAL  44          HG13      VAL  44  -1.557  10.671   5.017
  320   HG21  VAL  44          HG21      VAL  44  -2.813  10.254   1.484
  321   HG22  VAL  44          HG22      VAL  44  -4.087  11.113   2.326
  322   HG23  VAL  44          HG23      VAL  44  -4.267   9.404   1.967
  323    H    GLU  45           HN       GLU  45  -3.335   7.294   5.431
  324    HA   GLU  45           HA       GLU  45  -1.139   7.480   7.294
  325    HB2  GLU  45           HB2      GLU  45  -3.863   6.192   7.484
  326    HB3  GLU  45           HB1      GLU  45  -2.717   6.301   8.814
  327    HG2  GLU  45           HG2      GLU  45  -3.960   8.636   7.388
  328    HG3  GLU  45           HG1      GLU  45  -4.502   7.984   8.931
  329    H    VAL  46           HN       VAL  46  -2.665   5.110   5.216
  330    HA   VAL  46           HA       VAL  46  -1.513   2.774   6.210
  331    HB   VAL  46           HB       VAL  46  -2.365   3.393   3.345
  332   HG11  VAL  46          HG11      VAL  46  -0.709   1.570   3.333
  333   HG12  VAL  46          HG12      VAL  46  -2.334   0.975   2.954
  334   HG13  VAL  46          HG13      VAL  46  -1.659   0.718   4.558
  335   HG21  VAL  46          HG21      VAL  46  -3.691   1.775   5.525
  336   HG22  VAL  46          HG22      VAL  46  -4.290   1.974   3.880
  337   HG23  VAL  46          HG23      VAL  46  -4.194   3.367   4.959
  338    H    VAL  47           HN       VAL  47  -0.218   4.934   3.590
  339    HA   VAL  47           HA       VAL  47   1.923   3.057   3.385
  340    HB   VAL  47           HB       VAL  47   1.809   5.670   1.901
  341   HG11  VAL  47          HG11      VAL  47   3.902   4.436   1.816
  342   HG12  VAL  47          HG12      VAL  47   3.098   4.400   0.245
  343   HG13  VAL  47          HG13      VAL  47   3.044   2.985   1.298
  344   HG21  VAL  47          HG21      VAL  47   0.551   3.061   1.087
  345   HG22  VAL  47          HG22      VAL  47   0.680   4.511   0.086
  346   HG23  VAL  47          HG23      VAL  47  -0.308   4.527   1.551
  347    H    VAL  48           HN       VAL  48   1.442   6.184   4.847
  348    HA   VAL  48           HA       VAL  48   4.154   6.634   5.415
  349    HB   VAL  48           HB       VAL  48   1.661   7.491   6.938
  350   HG11  VAL  48          HG11      VAL  48   4.512   8.379   7.444
  351   HG12  VAL  48          HG12      VAL  48   3.545   7.389   8.537
  352   HG13  VAL  48          HG13      VAL  48   3.068   9.056   8.200
  353   HG21  VAL  48          HG21      VAL  48   2.223   9.682   5.998
  354   HG22  VAL  48          HG22      VAL  48   1.971   8.457   4.751
  355   HG23  VAL  48          HG23      VAL  48   3.607   8.954   5.176
  356    H    ALA  49           HN       ALA  49   1.848   4.564   6.839
  357    HA   ALA  49           HA       ALA  49   3.480   3.772   9.087
  358    HB1  ALA  49           HB1      ALA  49   1.766   2.007   9.407
  359    HB2  ALA  49           HB2      ALA  49   1.046   2.456   7.860
  360    HB3  ALA  49           HB3      ALA  49   1.029   3.598   9.195
  361    H    ALA  50           HN       ALA  50   2.765   2.639   5.886
  362    HA   ALA  50           HA       ALA  50   4.192   0.226   5.962
  363    HB1  ALA  50           HB1      ALA  50   2.510   0.716   4.264
  364    HB2  ALA  50           HB2      ALA  50   4.049   0.272   3.522
  365    HB3  ALA  50           HB3      ALA  50   3.553   1.966   3.588
  366    H    GLU  51           HN       GLU  51   5.099   3.496   5.085
  367    HA   GLU  51           HA       GLU  51   7.627   3.240   3.987
  368    HB2  GLU  51           HB2      GLU  51   6.679   5.311   5.934
  369    HB3  GLU  51           HB1      GLU  51   8.112   5.462   4.957
  370    HG2  GLU  51           HG2      GLU  51   6.794   5.558   2.935
  371    HG3  GLU  51           HG1      GLU  51   5.326   5.250   3.853
  372    H    GLU  52           HN       GLU  52   6.551   3.324   7.261
  373    HA   GLU  52           HA       GLU  52   9.062   3.593   8.524
  374    HB2  GLU  52           HB2      GLU  52   6.824   4.342   9.367
  375    HB3  GLU  52           HB1      GLU  52   6.384   2.665   9.589
  376    HG2  GLU  52           HG2      GLU  52   8.619   4.078  11.034
  377    HG3  GLU  52           HG1      GLU  52   6.982   3.860  11.647
  378    H    ARG  53           HN       ARG  53   6.795   0.956   8.007
  379    HA   ARG  53           HA       ARG  53   8.376  -0.910   9.470
  380    HB2  ARG  53           HB2      ARG  53   6.636  -2.487   8.961
  381    HB3  ARG  53           HB1      ARG  53   5.966  -0.932   9.446
  382    HG2  ARG  53           HG2      ARG  53   5.365  -0.394   7.223
  383    HG3  ARG  53           HG1      ARG  53   6.179  -1.833   6.602
  384    HD2  ARG  53           HD2      ARG  53   3.791  -2.143   6.738
  385    HD3  ARG  53           HD1      ARG  53   4.690  -3.234   7.798
  386    HE   ARG  53           HE       ARG  53   3.723  -0.751   8.989
  387   HH11  ARG  53          HH11      ARG  53   3.187  -4.266   8.744
  388   HH12  ARG  53          HH12      ARG  53   1.957  -4.251   9.921
  389   HH21  ARG  53          HH21      ARG  53   2.146  -0.795  10.580
  390   HH22  ARG  53          HH22      ARG  53   1.341  -2.246  11.020
  391    H    PHE  54           HN       PHE  54   7.839  -0.212   6.069
  392    HA   PHE  54           HA       PHE  54   9.380  -2.528   5.335
  393    HB2  PHE  54           HB2      PHE  54   7.894  -0.513   3.641
  394    HB3  PHE  54           HB1      PHE  54   8.762  -1.918   3.042
  395    HD1  PHE  54           HD1      PHE  54   8.074  -4.093   4.694
  396    HD2  PHE  54           HD2      PHE  54   5.643  -0.844   3.435
  397    HE1  PHE  54           HE1      PHE  54   6.078  -5.496   4.941
  398    HE2  PHE  54           HE2      PHE  54   3.640  -2.244   3.682
  399    HZ   PHE  54           HZ       PHE  54   3.871  -4.565   4.562
  400    H    ASP  55           HN       ASP  55   9.901   0.578   6.198
  401    HA   ASP  55           HA       ASP  55  11.713   1.882   6.383
  402    HB2  ASP  55           HB2      ASP  55  12.752  -0.374   7.006
  403    HB3  ASP  55           HB1      ASP  55  13.331  -0.449   5.359
  404    H    VAL  56           HN       VAL  56  10.484   1.207   3.559
  405    HA   VAL  56           HA       VAL  56  12.718   2.171   1.953
  406    HB   VAL  56           HB       VAL  56  11.654   0.094   1.233
  407   HG11  VAL  56          HG11      VAL  56   9.455   0.096   0.196
  408   HG12  VAL  56          HG12      VAL  56   9.185   1.729   0.814
  409   HG13  VAL  56          HG13      VAL  56   9.413   0.382   1.937
  410   HG21  VAL  56          HG21      VAL  56  11.249   2.354  -0.711
  411   HG22  VAL  56          HG22      VAL  56  11.349   0.637  -1.124
  412   HG23  VAL  56          HG23      VAL  56  12.745   1.458  -0.433
  413    H    LYS  57           HN       LYS  57   9.545   3.018   2.901
  414    HA   LYS  57           HA       LYS  57   8.337   4.897   2.856
  415    HB2  LYS  57           HB2      LYS  57  10.282   6.007   3.733
  416    HB3  LYS  57           HB1      LYS  57  10.940   6.232   2.122
  417    HG2  LYS  57           HG2      LYS  57   9.164   7.779   1.565
  418    HG3  LYS  57           HG1      LYS  57   8.383   7.481   3.117
  419    HD2  LYS  57           HD2      LYS  57  11.133   8.680   2.762
  420    HD3  LYS  57           HD1      LYS  57   9.661   9.605   3.063
  421    HE2  LYS  57           HE2      LYS  57   9.381   8.373   5.206
  422    HE3  LYS  57           HE1      LYS  57  10.912   7.555   4.903
  423    HZ1  LYS  57           HZ1      LYS  57  12.029   9.689   4.933
  424    HZ2  LYS  57           HZ2      LYS  57  11.194   9.446   6.378
  425    HZ3  LYS  57           HZ3      LYS  57  10.555  10.480   5.195
  426    H    ILE  58           HN       ILE  58   6.754   4.979   1.476
  427    HA   ILE  58           HA       ILE  58   7.298   5.842  -1.274
  428    HB   ILE  58           HB       ILE  58   4.788   4.254  -0.516
  429   HG12  ILE  58          HG12      ILE  58   5.979   2.310  -1.766
  430   HG13  ILE  58          HG11      ILE  58   7.456   3.191  -1.372
  431   HG21  ILE  58          HG21      ILE  58   6.031   4.830  -3.169
  432   HG22  ILE  58          HG22      ILE  58   4.570   5.546  -2.487
  433   HG23  ILE  58          HG23      ILE  58   4.602   3.847  -2.877
  434   HD11  ILE  58          HD11      ILE  58   7.002   2.987   0.989
  435   HD12  ILE  58          HD12      ILE  58   7.025   1.399   0.224
  436   HD13  ILE  58          HD13      ILE  58   5.487   2.153   0.649
  437    HA   PRO  59           HA       PRO  59   5.023   9.241   0.724
  438    HB2  PRO  59           HB2      PRO  59   5.402  10.254  -2.060
  439    HB3  PRO  59           HB1      PRO  59   5.694  11.076  -0.521
  440    HG2  PRO  59           HG2      PRO  59   7.742  10.204  -1.936
  441    HG3  PRO  59           HG1      PRO  59   7.721   9.975  -0.176
  442    HD2  PRO  59           HD2      PRO  59   7.141   7.996  -2.346
  443    HD3  PRO  59           HD1      PRO  59   8.063   7.782  -0.841
  444    H    ASP  60           HN       ASP  60   2.804   9.572   0.691
  445    HA   ASP  60           HA       ASP  60   1.038   8.130  -0.818
  446    HB2  ASP  60           HB2      ASP  60  -0.726   9.694  -0.035
  447    HB3  ASP  60           HB1      ASP  60   0.353   9.211   1.256
  448    H    ASP  61           HN       ASP  61   2.725  10.913  -1.794
  449    HA   ASP  61           HA       ASP  61   1.042  11.635  -4.037
  450    HB2  ASP  61           HB2      ASP  61   2.424  13.322  -2.884
  451    HB3  ASP  61           HB1      ASP  61   3.874  12.429  -3.327
  452    H    ASP  62           HN       ASP  62   3.640   9.473  -3.421
  453    HA   ASP  62           HA       ASP  62   4.381   9.034  -6.249
  454    HB2  ASP  62           HB2      ASP  62   6.183   9.011  -4.430
  455    HB3  ASP  62           HB1      ASP  62   5.394   7.570  -3.789
  456    H    VAL  63           HN       VAL  63   3.056   7.452  -3.516
  457    HA   VAL  63           HA       VAL  63   2.602   4.928  -4.584
  458    HB   VAL  63           HB       VAL  63   2.504   5.748  -2.134
  459   HG11  VAL  63          HG11      VAL  63  -0.402   5.994  -2.798
  460   HG12  VAL  63          HG12      VAL  63   0.683   7.279  -2.288
  461   HG13  VAL  63          HG13      VAL  63   0.282   5.967  -1.176
  462   HG21  VAL  63          HG21      VAL  63   0.698   3.581  -3.151
  463   HG22  VAL  63          HG22      VAL  63   1.235   3.760  -1.480
  464   HG23  VAL  63          HG23      VAL  63   2.411   3.444  -2.758
  465    H    LYS  64           HN       LYS  64   0.893   7.779  -5.231
  466    HA   LYS  64           HA       LYS  64  -1.567   6.752  -5.948
  467    HB2  LYS  64           HB2      LYS  64  -1.841   8.673  -7.452
  468    HB3  LYS  64           HB1      LYS  64  -1.163   9.161  -5.910
  469    HG2  LYS  64           HG2      LYS  64   1.005   9.430  -6.867
  470    HG3  LYS  64           HG1      LYS  64   0.485   8.696  -8.384
  471    HD2  LYS  64           HD2      LYS  64   0.634  11.102  -8.591
  472    HD3  LYS  64           HD1      LYS  64  -1.052  10.589  -8.748
  473    HE2  LYS  64           HE2      LYS  64  -1.339  11.203  -6.339
  474    HE3  LYS  64           HE1      LYS  64   0.299  11.855  -6.369
  475    HZ1  LYS  64           HZ1      LYS  64  -0.413  13.385  -8.138
  476    HZ2  LYS  64           HZ2      LYS  64  -1.356  13.578  -6.734
  477    HZ3  LYS  64           HZ3      LYS  64  -1.975  12.744  -8.044
  478    H    ASN  65           HN       ASN  65   1.467   6.718  -7.465
  479    HA   ASN  65           HA       ASN  65   0.725   5.880 -10.125
  480    HB2  ASN  65           HB2      ASN  65   3.406   5.817  -8.710
  481    HB3  ASN  65           HB1      ASN  65   3.147   5.635 -10.440
  482   HD21  ASN  65          HD21      ASN  65   4.595   7.618  -8.670
  483   HD22  ASN  65          HD22      ASN  65   4.071   9.162  -9.212
  484    H    LEU  66           HN       LEU  66   0.583   4.430  -7.230
  485    HA   LEU  66           HA       LEU  66   1.270   1.745  -8.262
  486    HB2  LEU  66           HB2      LEU  66   1.284   2.688  -5.423
  487    HB3  LEU  66           HB1      LEU  66   1.664   1.093  -6.081
  488    HG   LEU  66           HG       LEU  66   3.218   3.630  -6.648
  489   HD11  LEU  66          HD11      LEU  66   3.894   1.450  -4.673
  490   HD12  LEU  66          HD12      LEU  66   3.405   3.099  -4.282
  491   HD13  LEU  66          HD13      LEU  66   4.934   2.804  -5.106
  492   HD21  LEU  66          HD21      LEU  66   3.489   1.928  -8.340
  493   HD22  LEU  66          HD22      LEU  66   3.932   0.757  -7.092
  494   HD23  LEU  66          HD23      LEU  66   4.981   2.137  -7.415
  495    H    LYS  67           HN       LYS  67  -1.144   3.125  -8.518
  496    HA   LYS  67           HA       LYS  67  -3.249   2.875  -6.918
  497    HB2  LYS  67           HB2      LYS  67  -4.648   2.395  -8.884
  498    HB3  LYS  67           HB1      LYS  67  -3.482   3.699  -9.092
  499    HG2  LYS  67           HG2      LYS  67  -2.043   2.338 -10.343
  500    HG3  LYS  67           HG1      LYS  67  -2.978   0.886 -10.022
  501    HD2  LYS  67           HD2      LYS  67  -3.472   1.688 -12.262
  502    HD3  LYS  67           HD1      LYS  67  -4.887   1.999 -11.250
  503    HE2  LYS  67           HE2      LYS  67  -4.132   4.318 -10.940
  504    HE3  LYS  67           HE1      LYS  67  -2.746   3.993 -11.982
  505    HZ1  LYS  67           HZ1      LYS  67  -5.613   4.072 -12.734
  506    HZ2  LYS  67           HZ2      LYS  67  -4.464   3.382 -13.709
  507    HZ3  LYS  67           HZ3      LYS  67  -4.342   5.022 -13.326
  508    H    THR  68           HN       THR  68  -1.623  -0.044  -8.061
  509    HA   THR  68           HA       THR  68  -3.814  -1.510  -6.868
  510    HB   THR  68           HB       THR  68  -2.980  -3.529  -8.048
  511    HG1  THR  68           HG1      THR  68  -1.388  -3.409  -9.453
  512   HG21  THR  68          HG21      THR  68  -3.718  -1.223  -9.833
  513   HG22  THR  68          HG22      THR  68  -4.829  -2.280  -8.954
  514   HG23  THR  68          HG23      THR  68  -3.839  -2.934 -10.261
  515    H    VAL  69           HN       VAL  69  -3.260  -3.457  -5.627
  516    HA   VAL  69           HA       VAL  69  -1.359  -2.862  -3.645
  517    HB   VAL  69           HB       VAL  69  -2.131  -5.680  -4.343
  518   HG11  VAL  69          HG11      VAL  69  -1.767  -6.014  -1.957
  519   HG12  VAL  69          HG12      VAL  69  -1.441  -4.267  -1.821
  520   HG13  VAL  69          HG13      VAL  69  -0.361  -5.279  -2.783
  521   HG21  VAL  69          HG21      VAL  69  -4.035  -5.473  -2.812
  522   HG22  VAL  69          HG22      VAL  69  -4.203  -4.378  -4.188
  523   HG23  VAL  69          HG23      VAL  69  -3.692  -3.752  -2.621
  524    H    GLY  70           HN       GLY  70  -1.141  -4.934  -6.438
  525    HA2  GLY  70           HA2      GLY  70   1.464  -5.931  -5.883
  526    HA3  GLY  70           HA1      GLY  70   0.588  -6.086  -7.399
  527    H    ASP  71           HN       ASP  71   0.309  -3.036  -7.325
  528    HA   ASP  71           HA       ASP  71   2.674  -2.477  -8.856
  529    HB2  ASP  71           HB2      ASP  71   0.190  -1.363  -8.844
  530    HB3  ASP  71           HB1      ASP  71   1.033  -0.322  -7.717
  531    H    ALA  72           HN       ALA  72   1.265  -1.522  -5.785
  532    HA   ALA  72           HA       ALA  72   3.390   0.050  -4.715
  533    HB1  ALA  72           HB1      ALA  72   2.379  -0.399  -2.569
  534    HB2  ALA  72           HB2      ALA  72   1.409  -1.694  -3.268
  535    HB3  ALA  72           HB3      ALA  72   1.134  -0.021  -3.757
  536    H    THR  73           HN       THR  73   2.545  -3.313  -4.218
  537    HA   THR  73           HA       THR  73   4.693  -4.024  -2.635
  538    HB   THR  73           HB       THR  73   3.125  -5.739  -4.581
  539    HG1  THR  73           HG1      THR  73   1.685  -4.862  -3.197
  540   HG21  THR  73          HG21      THR  73   3.679  -7.592  -3.063
  541   HG22  THR  73          HG22      THR  73   4.651  -6.497  -2.076
  542   HG23  THR  73          HG23      THR  73   5.150  -6.872  -3.726
  543    H    LYS  74           HN       LYS  74   4.508  -3.586  -6.070
  544    HA   LYS  74           HA       LYS  74   6.781  -5.105  -6.843
  545    HB2  LYS  74           HB2      LYS  74   4.851  -4.094  -8.250
  546    HB3  LYS  74           HB1      LYS  74   5.802  -2.623  -8.216
  547    HG2  LYS  74           HG2      LYS  74   6.267  -3.722 -10.252
  548    HG3  LYS  74           HG1      LYS  74   7.683  -3.936  -9.217
  549    HD2  LYS  74           HD2      LYS  74   7.031  -6.022 -10.405
  550    HD3  LYS  74           HD1      LYS  74   6.983  -6.173  -8.647
  551    HE2  LYS  74           HE2      LYS  74   5.015  -7.218  -9.751
  552    HE3  LYS  74           HE1      LYS  74   4.581  -5.937  -8.627
  553    HZ1  LYS  74           HZ1      LYS  74   4.698  -5.633 -11.599
  554    HZ2  LYS  74           HZ2      LYS  74   4.236  -4.439 -10.499
  555    HZ3  LYS  74           HZ3      LYS  74   3.322  -5.840 -10.665
  556    H    TYR  75           HN       TYR  75   6.162  -1.640  -6.347
  557    HA   TYR  75           HA       TYR  75   8.772  -0.736  -6.704
  558    HB2  TYR  75           HB2      TYR  75   6.839   0.676  -6.980
  559    HB3  TYR  75           HB1      TYR  75   6.349   0.400  -5.314
  560    HD1  TYR  75           HD1      TYR  75   9.301   1.683  -7.228
  561    HD2  TYR  75           HD2      TYR  75   6.805   2.046  -3.815
  562    HE1  TYR  75           HE1      TYR  75  10.518   3.675  -6.572
  563    HE2  TYR  75           HE2      TYR  75   8.008   4.045  -3.127
  564    HH   TYR  75           HH       TYR  75  10.330   4.931  -3.497
  565    H    ILE  76           HN       ILE  76   6.895  -1.612  -3.886
  566    HA   ILE  76           HA       ILE  76   8.747  -0.747  -1.997
  567    HB   ILE  76           HB       ILE  76   6.470  -2.736  -1.692
  568   HG12  ILE  76          HG12      ILE  76   6.660   0.217  -1.065
  569   HG13  ILE  76          HG11      ILE  76   5.816  -0.498  -2.427
  570   HG21  ILE  76          HG21      ILE  76   8.037  -1.303   0.472
  571   HG22  ILE  76          HG22      ILE  76   8.053  -3.034   0.139
  572   HG23  ILE  76          HG23      ILE  76   6.582  -2.262   0.713
  573   HD11  ILE  76          HD11      ILE  76   4.265  -1.587  -0.910
  574   HD12  ILE  76          HD12      ILE  76   4.307   0.164  -0.676
  575   HD13  ILE  76          HD13      ILE  76   5.138  -0.901   0.467
  576    H    LEU  77           HN       LEU  77   8.166  -3.960  -3.462
  577    HA   LEU  77           HA       LEU  77   9.969  -5.363  -1.770
  578    HB2  LEU  77           HB2      LEU  77   8.009  -6.247  -3.112
  579    HB3  LEU  77           HB1      LEU  77   9.061  -6.253  -4.514
  580    HG   LEU  77           HG       LEU  77   9.449  -7.870  -1.988
  581   HD11  LEU  77          HD11      LEU  77   8.435  -8.677  -4.712
  582   HD12  LEU  77          HD12      LEU  77   7.496  -8.583  -3.219
  583   HD13  LEU  77          HD13      LEU  77   8.775  -9.784  -3.381
  584   HD21  LEU  77          HD21      LEU  77  11.575  -7.450  -3.150
  585   HD22  LEU  77          HD22      LEU  77  10.882  -8.076  -4.647
  586   HD23  LEU  77          HD23      LEU  77  11.110  -9.147  -3.263
  587    H    ASP  78           HN       ASP  78  10.077  -4.053  -5.044
  588    HA   ASP  78           HA       ASP  78  12.584  -4.885  -5.926
  589    HB2  ASP  78           HB2      ASP  78  10.868  -3.816  -7.325
  590    HB3  ASP  78           HB1      ASP  78  11.114  -2.302  -6.477
  591    H    HIS  79           HN       HIS  79  11.618  -2.214  -3.920
  592    HA   HIS  79           HA       HIS  79  14.325  -1.210  -3.801
  593    HB2  HIS  79           HB2      HIS  79  11.673  -0.040  -3.233
  594    HB3  HIS  79           HB1      HIS  79  13.096   0.671  -2.487
  595    HD1  HIS  79           HD1      HIS  79  14.412   2.205  -3.892
  596    HD2  HIS  79           HD2      HIS  79  11.777  -0.072  -6.134
  597    HE1  HIS  79           HE1      HIS  79  14.587   3.088  -6.259
  598    HE2  HIS  79           HE2      HIS  79  13.284   1.400  -7.593
  599    H    GLN  80           HN       GLN  80  12.868  -3.503  -2.154
  600    HA   GLN  80           HA       GLN  80  13.054  -2.859   0.552
  601    HB2  GLN  80           HB2      GLN  80  13.512  -5.481  -0.853
  602    HB3  GLN  80           HB1      GLN  80  13.529  -5.302   0.895
  603    HG2  GLN  80           HG2      GLN  80  11.217  -4.456  -0.780
  604    HG3  GLN  80           HG1      GLN  80  11.401  -6.095  -0.165
  605   HE21  GLN  80          HE21      GLN  80   9.545  -3.862   0.342
  606   HE22  GLN  80          HE22      GLN  80   9.439  -3.785   2.064
  607    H    ALA  81           HN       ALA  81  14.666  -2.272   1.734
  608    HA   ALA  81           HA       ALA  81  16.640  -1.976   2.677
  609    HB1  ALA  81           HB1      ALA  81  17.166  -4.784   1.707
  610    HB2  ALA  81           HB2      ALA  81  16.315  -4.344   3.188
  611    HB3  ALA  81           HB3      ALA  81  18.025  -3.955   3.006
  612    H28  SXH 101          H28B      SXH 101  -4.949  10.015  -2.602
  613   H28A  SXH 101          H28A      SXH 101  -5.484  10.158  -0.951
  614    H30  SXH 101          H30C      SXH 101  -5.724  13.139  -0.774
  615   H30A  SXH 101          H30A      SXH 101  -4.087  13.445  -0.191
  616   H30B  SXH 101          H30B      SXH 101  -5.003  12.076   0.438
  617    H31  SXH 101          H31A      SXH 101  -2.649  10.489  -1.870
  618   H31A  SXH 101          H31C      SXH 101  -2.259  11.898  -0.889
  619   H31B  SXH 101          H31B      SXH 101  -3.182  10.557  -0.174
  620    H32  SXH 101          H32A      SXH 101  -4.776  13.118  -3.200
  621   HO33  SXH 101          H33A      SXH 101  -2.172  13.461  -2.983
  622   HN36  SXH 101          H36A      SXH 101  -4.914  11.033  -4.284
  623    H37  SXH 101          H37A      SXH 101  -3.556  10.714  -6.534
  624   H37A  SXH 101          H37B      SXH 101  -2.504   9.843  -5.415
  625    H38  SXH 101          H38A      SXH 101  -5.411   9.271  -5.854
  626   H38A  SXH 101          H38B      SXH 101  -4.038   8.419  -6.596
  627   HN41  SXH 101          H41A      SXH 101  -2.501   8.694  -4.017
  628    H42  SXH 101          H42A      SXH 101  -1.937   7.414  -2.344
  629   H42A  SXH 101          H42B      SXH 101  -3.624   7.556  -1.802
  630    H43  SXH 101          H43A      SXH 101  -4.169   5.537  -2.961
  631   H43A  SXH 101          H43B      SXH 101  -2.601   5.144  -2.199
  632    H2   SXH 101           H2A      SXH 101  -1.301   3.600  -2.832
  633    H2A  SXH 101           H2B      SXH 101  -0.817   2.996  -4.394
  634    H3   SXH 101           H3A      SXH 101  -2.103   1.109  -4.274
  635    H3A  SXH 101           H3B      SXH 101  -2.890   1.605  -2.764
  636    H4   SXH 101           H4B      SXH 101  -1.120  -0.090  -2.439
  637    H4A  SXH 101           H4A      SXH 101   0.050   1.033  -3.126
  638    H5   SXH 101           H5A      SXH 101  -1.563   1.460  -0.611
  639    H5A  SXH 101           H5B      SXH 101  -0.390   2.602  -1.296
  640    H6   SXH 101           H6C      SXH 101   1.361   0.921  -1.045
  641    H6A  SXH 101           H6A      SXH 101   0.186  -0.203  -0.363
  642    H6B  SXH 101           H6B      SXH 101   0.591   1.281   0.499
  Start of MODEL   18
    1    H1   ALA   1           HT1      ALA   1  14.531  -9.750   4.207
    2    H2   ALA   1           HT2      ALA   1  13.519 -10.681   3.213
    3    H3   ALA   1           HT3      ALA   1  12.932 -10.116   4.690
    4    HA   ALA   1           HA       ALA   1  13.068  -7.853   3.852
    5    HB1  ALA   1           HB1      ALA   1  14.848  -8.321   2.176
    6    HB2  ALA   1           HB2      ALA   1  13.449  -7.499   1.511
    7    HB3  ALA   1           HB3      ALA   1  13.666  -9.232   1.228
    8    H    ALA   2           HN       ALA   2  11.186  -7.018   2.903
    9    HA   ALA   2           HA       ALA   2   9.006  -8.785   3.210
   10    HB1  ALA   2           HB1      ALA   2   7.622  -6.903   2.694
   11    HB2  ALA   2           HB2      ALA   2   9.028  -5.954   2.194
   12    HB3  ALA   2           HB3      ALA   2   8.842  -6.450   3.884
   13    H    THR   3           HN       THR   3   7.826  -9.749   1.771
   14    HA   THR   3           HA       THR   3   8.673  -9.639  -1.006
   15    HB   THR   3           HB       THR   3   7.929 -12.062  -0.967
   16    HG1  THR   3           HG1      THR   3   7.039 -12.702   0.776
   17   HG21  THR   3          HG21      THR   3  10.120 -11.305   0.932
   18   HG22  THR   3          HG22      THR   3  10.317 -11.414  -0.827
   19   HG23  THR   3          HG23      THR   3   9.966 -12.870   0.132
   20    H    GLN   4           HN       GLN   4   6.513 -11.254  -1.923
   21    HA   GLN   4           HA       GLN   4   4.467  -9.401  -2.156
   22    HB2  GLN   4           HB2      GLN   4   4.763 -11.290  -3.723
   23    HB3  GLN   4           HB1      GLN   4   4.292 -12.418  -2.470
   24    HG2  GLN   4           HG2      GLN   4   2.379 -10.285  -3.332
   25    HG3  GLN   4           HG1      GLN   4   2.607 -11.699  -4.351
   26   HE21  GLN   4          HE21      GLN   4   1.255 -10.486  -1.391
   27   HE22  GLN   4          HE22      GLN   4   0.388 -11.890  -0.939
   28    H    GLU   5           HN       GLU   5   4.536 -12.277  -0.058
   29    HA   GLU   5           HA       GLU   5   2.036 -11.646   1.078
   30    HB2  GLU   5           HB2      GLU   5   4.203 -13.466   2.129
   31    HB3  GLU   5           HB1      GLU   5   2.542 -13.414   2.718
   32    HG2  GLU   5           HG2      GLU   5   1.759 -14.023   0.450
   33    HG3  GLU   5           HG1      GLU   5   3.439 -14.176  -0.054
   34    H    GLU   6           HN       GLU   6   5.281 -10.833   2.009
   35    HA   GLU   6           HA       GLU   6   4.579  -9.892   4.579
   36    HB2  GLU   6           HB2      GLU   6   7.013  -9.466   2.919
   37    HB3  GLU   6           HB1      GLU   6   6.824  -8.768   4.515
   38    HG2  GLU   6           HG2      GLU   6   6.390 -11.648   4.060
   39    HG3  GLU   6           HG1      GLU   6   8.036 -11.027   4.321
   40    H    ILE   7           HN       ILE   7   5.370  -8.077   1.532
   41    HA   ILE   7           HA       ILE   7   4.761  -5.543   2.499
   42    HB   ILE   7           HB       ILE   7   4.472  -6.702  -0.280
   43   HG12  ILE   7          HG12      ILE   7   6.711  -5.099   0.934
   44   HG13  ILE   7          HG11      ILE   7   6.711  -6.852   0.788
   45   HG21  ILE   7          HG21      ILE   7   3.203  -4.618  -0.043
   46   HG22  ILE   7          HG22      ILE   7   4.628  -4.377  -1.057
   47   HG23  ILE   7          HG23      ILE   7   4.630  -3.812   0.612
   48   HD11  ILE   7          HD11      ILE   7   6.574  -6.655  -1.615
   49   HD12  ILE   7          HD12      ILE   7   7.980  -5.805  -0.973
   50   HD13  ILE   7          HD13      ILE   7   6.551  -4.900  -1.472
   51    H    VAL   8           HN       VAL   8   2.805  -7.794   0.620
   52    HA   VAL   8           HA       VAL   8   0.494  -6.250   0.467
   53    HB   VAL   8           HB       VAL   8   0.788  -9.265   0.331
   54   HG11  VAL   8          HG11      VAL   8  -1.655  -7.609  -0.314
   55   HG12  VAL   8          HG12      VAL   8  -1.505  -8.735   1.036
   56   HG13  VAL   8          HG13      VAL   8  -1.466  -9.336  -0.621
   57   HG21  VAL   8          HG21      VAL   8   0.343  -7.146  -1.766
   58   HG22  VAL   8          HG22      VAL   8   0.443  -8.879  -2.061
   59   HG23  VAL   8          HG23      VAL   8   1.849  -8.006  -1.453
   60    H    ALA   9           HN       ALA   9   1.156  -8.827   2.915
   61    HA   ALA   9           HA       ALA   9  -1.313  -8.385   4.233
   62    HB1  ALA   9           HB1      ALA   9  -0.411  -9.747   6.027
   63    HB2  ALA   9           HB2      ALA   9   1.212  -9.596   5.350
   64    HB3  ALA   9           HB3      ALA   9  -0.036 -10.471   4.463
   65    H    GLY  10           HN       GLY  10   1.697  -6.714   4.342
   66    HA2  GLY  10           HA2      GLY  10   1.348  -5.567   6.937
   67    HA3  GLY  10           HA1      GLY  10   2.555  -5.122   5.730
   68    H    LEU  11           HN       LEU  11   0.962  -4.573   3.601
   69    HA   LEU  11           HA       LEU  11  -0.021  -1.938   4.150
   70    HB2  LEU  11           HB2      LEU  11  -0.721  -3.715   1.811
   71    HB3  LEU  11           HB1      LEU  11  -0.827  -1.971   1.876
   72    HG   LEU  11           HG       LEU  11   1.702  -3.602   1.847
   73   HD11  LEU  11          HD11      LEU  11   2.020  -2.625  -0.368
   74   HD12  LEU  11          HD12      LEU  11   0.441  -1.850  -0.246
   75   HD13  LEU  11          HD13      LEU  11   0.560  -3.609  -0.280
   76   HD21  LEU  11          HD21      LEU  11   2.851  -1.456   1.630
   77   HD22  LEU  11          HD22      LEU  11   1.975  -1.568   3.157
   78   HD23  LEU  11          HD23      LEU  11   1.314  -0.614   1.828
   79    H    ALA  12           HN       ALA  12  -1.532  -5.050   3.522
   80    HA   ALA  12           HA       ALA  12  -4.165  -4.287   3.523
   81    HB1  ALA  12           HB1      ALA  12  -3.383  -6.473   2.863
   82    HB2  ALA  12           HB2      ALA  12  -4.742  -6.501   3.997
   83    HB3  ALA  12           HB3      ALA  12  -3.106  -6.878   4.571
   84    H    GLU  13           HN       GLU  13  -2.250  -5.390   6.344
   85    HA   GLU  13           HA       GLU  13  -4.401  -5.246   8.116
   86    HB2  GLU  13           HB2      GLU  13  -2.724  -5.112   9.947
   87    HB3  GLU  13           HB1      GLU  13  -2.427  -6.423   8.814
   88    HG2  GLU  13           HG2      GLU  13  -0.676  -5.225   7.775
   89    HG3  GLU  13           HG1      GLU  13  -1.068  -3.766   8.675
   90    H    ILE  14           HN       ILE  14  -2.284  -2.785   6.996
   91    HA   ILE  14           HA       ILE  14  -3.199  -0.802   8.841
   92    HB   ILE  14           HB       ILE  14  -1.977  -0.350   6.086
   93   HG12  ILE  14          HG12      ILE  14  -0.521  -0.472   8.724
   94   HG13  ILE  14          HG11      ILE  14  -0.697  -1.882   7.681
   95   HG21  ILE  14          HG21      ILE  14  -1.258   1.769   7.128
   96   HG22  ILE  14          HG22      ILE  14  -2.045   1.301   8.638
   97   HG23  ILE  14          HG23      ILE  14  -3.015   1.616   7.198
   98   HD11  ILE  14          HD11      ILE  14   0.429  -0.730   5.908
   99   HD12  ILE  14          HD12      ILE  14   1.440  -0.795   7.350
  100   HD13  ILE  14          HD13      ILE  14   0.619   0.714   6.908
  101    H    VAL  15           HN       VAL  15  -3.959  -1.498   5.426
  102    HA   VAL  15           HA       VAL  15  -5.979   0.312   4.948
  103    HB   VAL  15           HB       VAL  15  -5.892  -2.527   3.893
  104   HG11  VAL  15          HG11      VAL  15  -7.038  -1.594   1.943
  105   HG12  VAL  15          HG12      VAL  15  -7.093  -0.015   2.728
  106   HG13  VAL  15          HG13      VAL  15  -7.987  -1.373   3.408
  107   HG21  VAL  15          HG21      VAL  15  -3.772  -1.381   3.609
  108   HG22  VAL  15          HG22      VAL  15  -4.598  -0.053   2.774
  109   HG23  VAL  15          HG23      VAL  15  -4.595  -1.690   2.089
  110    H    ASN  16           HN       ASN  16  -6.153  -2.869   6.402
  111    HA   ASN  16           HA       ASN  16  -8.894  -3.250   6.783
  112    HB2  ASN  16           HB2      ASN  16  -6.451  -4.216   8.199
  113    HB3  ASN  16           HB1      ASN  16  -7.989  -4.472   8.991
  114   HD21  ASN  16          HD21      ASN  16  -6.169  -5.137   6.057
  115   HD22  ASN  16          HD22      ASN  16  -7.019  -6.579   5.694
  116    H    GLU  17           HN       GLU  17  -6.643  -1.321   8.649
  117    HA   GLU  17           HA       GLU  17  -8.414  -0.901  10.836
  118    HB2  GLU  17           HB2      GLU  17  -5.966   0.660  10.014
  119    HB3  GLU  17           HB1      GLU  17  -6.791   0.783  11.559
  120    HG2  GLU  17           HG2      GLU  17  -5.411  -1.668  10.498
  121    HG3  GLU  17           HG1      GLU  17  -4.752  -0.547  11.684
  122    H    ILE  18           HN       ILE  18  -7.450   1.047   8.042
  123    HA   ILE  18           HA       ILE  18  -9.191   3.213   8.982
  124    HB   ILE  18           HB       ILE  18  -7.582   3.207   6.448
  125   HG12  ILE  18          HG12      ILE  18  -6.637   4.145   9.162
  126   HG13  ILE  18          HG11      ILE  18  -6.120   2.635   8.402
  127   HG21  ILE  18          HG21      ILE  18  -7.549   5.655   6.942
  128   HG22  ILE  18          HG22      ILE  18  -8.656   5.353   8.282
  129   HG23  ILE  18          HG23      ILE  18  -9.159   5.010   6.621
  130   HD11  ILE  18          HD11      ILE  18  -5.730   5.403   7.313
  131   HD12  ILE  18          HD12      ILE  18  -5.198   3.922   6.551
  132   HD13  ILE  18          HD13      ILE  18  -4.489   4.422   8.098
  133    H    ALA  19           HN       ALA  19  -8.747   1.421   5.867
  134    HA   ALA  19           HA       ALA  19 -11.273   2.444   4.905
  135    HB1  ALA  19           HB1      ALA  19  -9.387   2.158   3.356
  136    HB2  ALA  19           HB2      ALA  19 -10.787   1.214   2.853
  137    HB3  ALA  19           HB3      ALA  19  -9.426   0.417   3.636
  138    H    GLY  20           HN       GLY  20  -9.981  -0.701   5.795
  139    HA2  GLY  20           HA2      GLY  20 -11.346  -2.328   6.892
  140    HA3  GLY  20           HA1      GLY  20 -12.755  -1.611   6.119
  141    H    ILE  21           HN       ILE  21  -9.878  -2.146   4.262
  142    HA   ILE  21           HA       ILE  21 -11.237  -4.159   2.696
  143    HB   ILE  21           HB       ILE  21  -8.443  -3.022   2.386
  144   HG12  ILE  21          HG12      ILE  21 -10.129  -1.346   2.027
  145   HG13  ILE  21          HG11      ILE  21  -9.485  -1.850   0.463
  146   HG21  ILE  21          HG21      ILE  21 -10.095  -4.755   0.530
  147   HG22  ILE  21          HG22      ILE  21  -8.696  -5.288   1.459
  148   HG23  ILE  21          HG23      ILE  21  -8.496  -4.090   0.185
  149   HD11  ILE  21          HD11      ILE  21 -12.037  -2.766   1.718
  150   HD12  ILE  21          HD12      ILE  21 -11.369  -3.362   0.207
  151   HD13  ILE  21          HD13      ILE  21 -11.885  -1.662   0.335
  152    HA   PRO  22           HA       PRO  22  -9.527  -7.018   5.697
  153    HB2  PRO  22           HB2      PRO  22 -10.468  -9.098   3.827
  154    HB3  PRO  22           HB1      PRO  22 -10.885  -8.836   5.523
  155    HG2  PRO  22           HG2      PRO  22 -12.609  -8.297   3.572
  156    HG3  PRO  22           HG1      PRO  22 -12.510  -7.280   5.023
  157    HD2  PRO  22           HD2      PRO  22 -11.406  -6.786   2.283
  158    HD3  PRO  22           HD1      PRO  22 -12.199  -5.652   3.400
  159    H    VAL  23           HN       VAL  23  -8.005  -8.703   5.889
  160    HA   VAL  23           HA       VAL  23  -5.694  -7.916   4.589
  161    HB   VAL  23           HB       VAL  23  -4.495  -9.742   5.745
  162   HG11  VAL  23          HG11      VAL  23  -4.963  -9.020   8.031
  163   HG12  VAL  23          HG12      VAL  23  -6.451  -8.250   7.475
  164   HG13  VAL  23          HG13      VAL  23  -4.887  -7.662   6.908
  165   HG21  VAL  23          HG21      VAL  23  -6.162 -11.497   5.613
  166   HG22  VAL  23          HG22      VAL  23  -7.247 -10.575   6.646
  167   HG23  VAL  23          HG23      VAL  23  -5.733 -11.207   7.302
  168    H    GLU  24           HN       GLU  24  -7.918 -10.391   3.681
  169    HA   GLU  24           HA       GLU  24  -5.895 -11.456   1.885
  170    HB2  GLU  24           HB2      GLU  24  -7.268 -13.445   1.598
  171    HB3  GLU  24           HB1      GLU  24  -6.895 -13.168   3.286
  172    HG2  GLU  24           HG2      GLU  24  -9.512 -12.388   2.029
  173    HG3  GLU  24           HG1      GLU  24  -9.221 -13.968   2.742
  174    H    ASP  25           HN       ASP  25  -8.340  -9.181   1.748
  175    HA   ASP  25           HA       ASP  25  -9.115 -10.001  -0.922
  176    HB2  ASP  25           HB2      ASP  25 -10.769  -8.891   0.661
  177    HB3  ASP  25           HB1      ASP  25  -9.834  -7.408   0.485
  178    H    VAL  26           HN       VAL  26  -7.119  -7.696   0.764
  179    HA   VAL  26           HA       VAL  26  -6.024  -6.296  -1.393
  180    HB   VAL  26           HB       VAL  26  -4.784  -7.163   1.250
  181   HG11  VAL  26          HG11      VAL  26  -3.289  -5.251   0.993
  182   HG12  VAL  26          HG12      VAL  26  -3.950  -4.956  -0.619
  183   HG13  VAL  26          HG13      VAL  26  -3.064  -6.444  -0.287
  184   HG21  VAL  26          HG21      VAL  26  -5.402  -4.953   2.069
  185   HG22  VAL  26          HG22      VAL  26  -6.814  -5.895   1.592
  186   HG23  VAL  26          HG23      VAL  26  -6.210  -4.615   0.539
  187    H    LYS  27           HN       LYS  27  -5.388  -7.543  -3.086
  188    HA   LYS  27           HA       LYS  27  -3.430  -9.654  -2.564
  189    HB2  LYS  27           HB2      LYS  27  -5.488  -9.473  -4.747
  190    HB3  LYS  27           HB1      LYS  27  -4.105 -10.552  -4.877
  191    HG2  LYS  27           HG2      LYS  27  -6.144 -10.616  -2.663
  192    HG3  LYS  27           HG1      LYS  27  -6.169 -11.655  -4.095
  193    HD2  LYS  27           HD2      LYS  27  -4.111 -12.638  -3.523
  194    HD3  LYS  27           HD1      LYS  27  -3.819 -11.495  -2.226
  195    HE2  LYS  27           HE2      LYS  27  -5.882 -12.420  -1.117
  196    HE3  LYS  27           HE1      LYS  27  -5.920 -13.658  -2.376
  197    HZ1  LYS  27           HZ1      LYS  27  -3.686 -14.362  -1.635
  198    HZ2  LYS  27           HZ2      LYS  27  -4.838 -14.462  -0.395
  199    HZ3  LYS  27           HZ3      LYS  27  -3.749 -13.171  -0.431
  200    H    LEU  28           HN       LEU  28  -3.766  -8.791  -5.783
  201    HA   LEU  28           HA       LEU  28  -1.490  -6.915  -5.665
  202    HB2  LEU  28           HB2      LEU  28  -1.735  -9.246  -7.570
  203    HB3  LEU  28           HB1      LEU  28  -0.491  -8.021  -7.627
  204    HG   LEU  28           HG       LEU  28  -0.888  -9.970  -5.392
  205   HD11  LEU  28          HD11      LEU  28   1.141  -9.931  -7.639
  206   HD12  LEU  28          HD12      LEU  28  -0.187 -11.080  -7.462
  207   HD13  LEU  28          HD13      LEU  28   1.134 -11.070  -6.293
  208   HD21  LEU  28          HD21      LEU  28   1.360  -9.235  -4.688
  209   HD22  LEU  28          HD22      LEU  28   0.180  -7.927  -4.649
  210   HD23  LEU  28          HD23      LEU  28   1.347  -8.023  -5.969
  211    H    ASP  29           HN       ASP  29  -3.908  -8.533  -7.577
  212    HA   ASP  29           HA       ASP  29  -4.088  -6.447  -9.606
  213    HB2  ASP  29           HB2      ASP  29  -4.166  -8.837 -10.204
  214    HB3  ASP  29           HB1      ASP  29  -5.551  -9.060  -9.150
  215    H    LYS  30           HN       LYS  30  -4.602  -5.557  -7.113
  216    HA   LYS  30           HA       LYS  30  -7.461  -5.198  -7.005
  217    HB2  LYS  30           HB2      LYS  30  -5.582  -5.759  -4.712
  218    HB3  LYS  30           HB1      LYS  30  -7.239  -5.228  -4.546
  219    HG2  LYS  30           HG2      LYS  30  -6.535  -7.714  -6.025
  220    HG3  LYS  30           HG1      LYS  30  -6.843  -7.722  -4.267
  221    HD2  LYS  30           HD2      LYS  30  -9.043  -6.742  -4.770
  222    HD3  LYS  30           HD1      LYS  30  -8.654  -6.826  -6.481
  223    HE2  LYS  30           HE2      LYS  30  -8.476  -9.249  -6.336
  224    HE3  LYS  30           HE1      LYS  30  -8.854  -9.177  -4.612
  225    HZ1  LYS  30           HZ1      LYS  30 -10.995  -8.318  -5.088
  226    HZ2  LYS  30           HZ2      LYS  30 -10.827  -9.653  -6.126
  227    HZ3  LYS  30           HZ3      LYS  30 -10.615  -8.067  -6.685
  228    H    SER  31           HN       SER  31  -7.109  -3.345  -7.999
  229    HA   SER  31           HA       SER  31  -5.409  -1.275  -7.099
  230    HB2  SER  31           HB2      SER  31  -8.140  -0.898  -8.376
  231    HB3  SER  31           HB1      SER  31  -6.778   0.219  -8.412
  232    HG   SER  31           HG       SER  31  -7.258  -2.113  -9.853
  233    H    PHE  32           HN       PHE  32  -5.516  -0.485  -5.148
  234    HA   PHE  32           HA       PHE  32  -7.419  -1.064  -3.270
  235    HB2  PHE  32           HB2      PHE  32  -5.501   1.167  -3.403
  236    HB3  PHE  32           HB1      PHE  32  -6.645   1.085  -2.059
  237    HD1  PHE  32           HD1      PHE  32  -6.498  -0.763  -0.457
  238    HD2  PHE  32           HD2      PHE  32  -3.637  -0.327  -3.586
  239    HE1  PHE  32           HE1      PHE  32  -4.977  -2.300   0.709
  240    HE2  PHE  32           HE2      PHE  32  -2.148  -1.797  -2.461
  241    HZ   PHE  32           HZ       PHE  32  -2.772  -2.822  -0.291
  242    H    THR  33           HN       THR  33  -7.408   2.127  -5.032
  243    HA   THR  33           HA       THR  33 -10.066   2.645  -4.084
  244    HB   THR  33           HB       THR  33  -9.735   4.558  -5.865
  245    HG1  THR  33           HG1      THR  33  -7.571   5.046  -6.121
  246   HG21  THR  33          HG21      THR  33  -8.559   5.918  -4.181
  247   HG22  THR  33          HG22      THR  33  -8.128   4.456  -3.303
  248   HG23  THR  33          HG23      THR  33  -9.821   4.937  -3.437
  249    H    ASP  34           HN       ASP  34 -10.053   0.224  -5.575
  250    HA   ASP  34           HA       ASP  34 -12.007   0.860  -7.617
  251    HB2  ASP  34           HB2      ASP  34  -9.991   1.210  -8.923
  252    HB3  ASP  34           HB1      ASP  34  -9.355  -0.348  -8.421
  253    H    ASP  35           HN       ASP  35  -9.807  -1.807  -6.844
  254    HA   ASP  35           HA       ASP  35 -11.898  -3.809  -7.296
  255    HB2  ASP  35           HB2      ASP  35  -9.197  -3.726  -7.621
  256    HB3  ASP  35           HB1      ASP  35  -9.347  -4.707  -6.184
  257    H    LEU  36           HN       LEU  36 -10.134  -2.370  -4.763
  258    HA   LEU  36           HA       LEU  36 -11.195  -4.207  -2.766
  259    HB2  LEU  36           HB2      LEU  36  -9.201  -1.966  -2.572
  260    HB3  LEU  36           HB1      LEU  36  -9.624  -3.060  -1.270
  261    HG   LEU  36           HG       LEU  36  -8.319  -3.839  -3.864
  262   HD11  LEU  36          HD11      LEU  36  -7.248  -3.761  -1.057
  263   HD12  LEU  36          HD12      LEU  36  -6.815  -2.662  -2.367
  264   HD13  LEU  36          HD13      LEU  36  -6.398  -4.370  -2.477
  265   HD21  LEU  36          HD21      LEU  36  -8.124  -6.034  -2.850
  266   HD22  LEU  36          HD22      LEU  36  -9.812  -5.541  -3.046
  267   HD23  LEU  36          HD23      LEU  36  -9.047  -5.467  -1.460
  268    H    ASP  37           HN       ASP  37 -10.525  -0.867  -2.453
  269    HA   ASP  37           HA       ASP  37 -12.053   0.920  -2.674
  270    HB2  ASP  37           HB2      ASP  37 -14.193  -0.236  -2.603
  271    HB3  ASP  37           HB1      ASP  37 -13.929  -0.709  -0.935
  272    H    VAL  38           HN       VAL  38 -10.083   1.429  -1.837
  273    HA   VAL  38           HA       VAL  38 -10.077   1.867   1.029
  274    HB   VAL  38           HB       VAL  38  -8.006   1.209  -0.376
  275   HG11  VAL  38          HG11      VAL  38  -8.227   2.739  -2.192
  276   HG12  VAL  38          HG12      VAL  38  -6.701   3.022  -1.349
  277   HG13  VAL  38          HG13      VAL  38  -8.064   4.114  -1.098
  278   HG21  VAL  38          HG21      VAL  38  -7.808   3.564   1.465
  279   HG22  VAL  38          HG22      VAL  38  -6.459   2.542   0.965
  280   HG23  VAL  38          HG23      VAL  38  -7.783   1.858   1.910
  281    H    ASP  39           HN       ASP  39 -10.167   4.127   1.879
  282    HA   ASP  39           HA       ASP  39 -12.004   5.597   0.225
  283    HB2  ASP  39           HB2      ASP  39 -11.109   5.968   3.071
  284    HB3  ASP  39           HB1      ASP  39 -12.400   6.845   2.265
  285    H    SER  40           HN       SER  40  -9.051   5.639  -0.379
  286    HA   SER  40           HA       SER  40  -7.426   7.090  -0.975
  287    HB2  SER  40           HB2      SER  40  -9.772   8.885  -0.732
  288    HB3  SER  40           HB1      SER  40  -8.243   9.644  -1.088
  289    H    LEU  41           HN       LEU  41  -9.110   8.274   1.855
  290    HA   LEU  41           HA       LEU  41  -6.937   9.853   2.822
  291    HB2  LEU  41           HB2      LEU  41  -9.489   8.931   4.114
  292    HB3  LEU  41           HB1      LEU  41  -8.458  10.249   4.662
  293    HG   LEU  41           HG       LEU  41  -9.697  10.217   1.949
  294   HD11  LEU  41          HD11      LEU  41 -11.518  10.173   3.652
  295   HD12  LEU  41          HD12      LEU  41 -11.429  11.766   2.902
  296   HD13  LEU  41          HD13      LEU  41 -10.748  11.509   4.508
  297   HD21  LEU  41          HD21      LEU  41  -9.295  12.642   2.080
  298   HD22  LEU  41          HD22      LEU  41  -7.820  11.689   2.228
  299   HD23  LEU  41          HD23      LEU  41  -8.550  12.412   3.662
  300    H    SER  42           HN       SER  42  -7.919   6.613   2.951
  301    HA   SER  42           HA       SER  42  -6.750   5.820   5.369
  302    HB2  SER  42           HB2      SER  42  -7.061   4.202   2.887
  303    HB3  SER  42           HB1      SER  42  -7.225   3.641   4.539
  304    HG   SER  42           HG       SER  42  -9.225   4.997   4.604
  305    H    MET  43           HN       MET  43  -5.747   6.328   2.002
  306    HA   MET  43           HA       MET  43  -3.586   4.545   2.017
  307    HB2  MET  43           HB2      MET  43  -4.869   5.411   0.041
  308    HB3  MET  43           HB1      MET  43  -3.960   6.909   0.212
  309    HG2  MET  43           HG2      MET  43  -2.966   5.442  -1.441
  310    HG3  MET  43           HG1      MET  43  -1.882   5.705  -0.070
  311    HE1  MET  43           HE1      MET  43  -4.360   3.262  -1.791
  312    HE2  MET  43           HE2      MET  43  -5.088   3.477  -0.203
  313    HE3  MET  43           HE3      MET  43  -4.414   1.910  -0.656
  314    H    VAL  44           HN       VAL  44  -3.986   7.856   2.727
  315    HA   VAL  44           HA       VAL  44  -1.403   8.813   2.776
  316    HB   VAL  44           HB       VAL  44  -3.566   9.432   4.793
  317   HG11  VAL  44          HG11      VAL  44  -1.339  11.139   3.692
  318   HG12  VAL  44          HG12      VAL  44  -1.425  10.449   5.314
  319   HG13  VAL  44          HG13      VAL  44  -2.587  11.678   4.816
  320   HG21  VAL  44          HG21      VAL  44  -3.213  10.571   2.026
  321   HG22  VAL  44          HG22      VAL  44  -4.441  11.075   3.189
  322   HG23  VAL  44          HG23      VAL  44  -4.457   9.449   2.504
  323    H    GLU  45           HN       GLU  45  -3.300   7.559   5.485
  324    HA   GLU  45           HA       GLU  45  -1.099   7.431   7.261
  325    HB2  GLU  45           HB2      GLU  45  -3.843   6.204   7.454
  326    HB3  GLU  45           HB1      GLU  45  -2.724   6.461   8.793
  327    HG2  GLU  45           HG2      GLU  45  -3.982   8.620   7.110
  328    HG3  GLU  45           HG1      GLU  45  -4.530   8.134   8.709
  329    H    VAL  46           HN       VAL  46  -2.663   5.195   5.057
  330    HA   VAL  46           HA       VAL  46  -1.600   2.840   6.087
  331    HB   VAL  46           HB       VAL  46  -2.555   3.463   3.253
  332   HG11  VAL  46          HG11      VAL  46  -0.903   1.636   3.121
  333   HG12  VAL  46          HG12      VAL  46  -2.558   1.051   2.850
  334   HG13  VAL  46          HG13      VAL  46  -1.781   0.785   4.403
  335   HG21  VAL  46          HG21      VAL  46  -4.305   3.410   4.938
  336   HG22  VAL  46          HG22      VAL  46  -3.741   1.835   5.495
  337   HG23  VAL  46          HG23      VAL  46  -4.432   1.999   3.882
  338    H    VAL  47           HN       VAL  47  -0.321   5.033   3.472
  339    HA   VAL  47           HA       VAL  47   1.865   3.225   3.175
  340    HB   VAL  47           HB       VAL  47   1.626   5.955   1.912
  341   HG11  VAL  47          HG11      VAL  47   3.801   4.872   1.777
  342   HG12  VAL  47          HG12      VAL  47   3.032   4.935   0.191
  343   HG13  VAL  47          HG13      VAL  47   3.049   3.426   1.105
  344   HG21  VAL  47          HG21      VAL  47   0.610   4.848   0.000
  345   HG22  VAL  47          HG22      VAL  47  -0.401   4.710   1.439
  346   HG23  VAL  47          HG23      VAL  47   0.560   3.334   0.900
  347    H    VAL  48           HN       VAL  48   1.275   6.251   4.842
  348    HA   VAL  48           HA       VAL  48   4.006   6.661   5.392
  349    HB   VAL  48           HB       VAL  48   1.553   7.662   6.895
  350   HG11  VAL  48          HG11      VAL  48   3.491   7.638   8.426
  351   HG12  VAL  48          HG12      VAL  48   3.022   9.284   7.996
  352   HG13  VAL  48          HG13      VAL  48   4.428   8.542   7.235
  353   HG21  VAL  48          HG21      VAL  48   1.777   8.479   4.643
  354   HG22  VAL  48          HG22      VAL  48   3.446   8.941   4.958
  355   HG23  VAL  48          HG23      VAL  48   2.128   9.782   5.788
  356    H    ALA  49           HN       ALA  49   1.751   4.481   6.650
  357    HA   ALA  49           HA       ALA  49   3.380   3.740   8.954
  358    HB1  ALA  49           HB1      ALA  49   0.935   3.435   9.025
  359    HB2  ALA  49           HB2      ALA  49   1.750   1.876   9.186
  360    HB3  ALA  49           HB3      ALA  49   1.021   2.346   7.650
  361    H    ALA  50           HN       ALA  50   2.674   2.575   5.743
  362    HA   ALA  50           HA       ALA  50   4.227   0.270   5.742
  363    HB1  ALA  50           HB1      ALA  50   3.576   2.073   3.413
  364    HB2  ALA  50           HB2      ALA  50   2.565   0.763   4.024
  365    HB3  ALA  50           HB3      ALA  50   4.133   0.405   3.301
  366    H    GLU  51           HN       GLU  51   5.052   3.604   4.926
  367    HA   GLU  51           HA       GLU  51   7.618   3.346   3.880
  368    HB2  GLU  51           HB2      GLU  51   6.674   5.466   5.750
  369    HB3  GLU  51           HB1      GLU  51   8.083   5.577   4.735
  370    HG2  GLU  51           HG2      GLU  51   6.761   5.609   2.753
  371    HG3  GLU  51           HG1      GLU  51   5.278   5.343   3.667
  372    H    GLU  52           HN       GLU  52   6.445   3.399   7.122
  373    HA   GLU  52           HA       GLU  52   9.032   3.669   8.306
  374    HB2  GLU  52           HB2      GLU  52   6.286   3.250   9.426
  375    HB3  GLU  52           HB1      GLU  52   7.687   3.475  10.444
  376    HG2  GLU  52           HG2      GLU  52   6.558   5.433   8.451
  377    HG3  GLU  52           HG1      GLU  52   6.467   5.544  10.207
  378    H    ARG  53           HN       ARG  53   6.573   1.133   8.042
  379    HA   ARG  53           HA       ARG  53   8.043  -0.714   9.654
  380    HB2  ARG  53           HB2      ARG  53   6.264  -2.276   9.152
  381    HB3  ARG  53           HB1      ARG  53   5.587  -0.680   9.483
  382    HG2  ARG  53           HG2      ARG  53   5.309  -0.302   7.110
  383    HG3  ARG  53           HG1      ARG  53   5.967  -1.899   6.776
  384    HD2  ARG  53           HD2      ARG  53   3.461  -1.299   8.341
  385    HD3  ARG  53           HD1      ARG  53   3.585  -1.865   6.669
  386    HE   ARG  53           HE       ARG  53   4.804  -3.841   7.785
  387   HH11  ARG  53          HH11      ARG  53   2.186  -2.067   9.410
  388   HH12  ARG  53          HH12      ARG  53   1.415  -3.479   9.985
  389   HH21  ARG  53          HH21      ARG  53   3.673  -5.791   8.574
  390   HH22  ARG  53          HH22      ARG  53   2.245  -5.592   9.505
  391    H    PHE  54           HN       PHE  54   7.778  -0.063   6.251
  392    HA   PHE  54           HA       PHE  54   9.359  -2.429   5.630
  393    HB2  PHE  54           HB2      PHE  54   7.896  -0.490   3.844
  394    HB3  PHE  54           HB1      PHE  54   8.859  -1.828   3.259
  395    HD1  PHE  54           HD1      PHE  54   8.169  -4.145   4.548
  396    HD2  PHE  54           HD2      PHE  54   5.647  -0.812   3.793
  397    HE1  PHE  54           HE1      PHE  54   6.197  -5.609   4.671
  398    HE2  PHE  54           HE2      PHE  54   3.676  -2.266   3.926
  399    HZ   PHE  54           HZ       PHE  54   3.949  -4.668   4.365
  400    H    ASP  55           HN       ASP  55   9.776   0.778   6.341
  401    HA   ASP  55           HA       ASP  55  11.497   2.226   6.359
  402    HB2  ASP  55           HB2      ASP  55  12.813   0.336   7.196
  403    HB3  ASP  55           HB1      ASP  55  13.171  -0.168   5.549
  404    H    VAL  56           HN       VAL  56  10.349   1.065   3.633
  405    HA   VAL  56           HA       VAL  56  12.441   1.848   1.808
  406    HB   VAL  56           HB       VAL  56  11.122  -0.139   1.291
  407   HG11  VAL  56          HG11      VAL  56   8.773   1.715   1.130
  408   HG12  VAL  56          HG12      VAL  56   9.000   0.343   2.227
  409   HG13  VAL  56          HG13      VAL  56   8.799   0.080   0.489
  410   HG21  VAL  56          HG21      VAL  56  10.567   0.326  -1.034
  411   HG22  VAL  56          HG22      VAL  56  12.094   1.073  -0.544
  412   HG23  VAL  56          HG23      VAL  56  10.639   2.060  -0.698
  413    H    LYS  57           HN       LYS  57   9.486   3.029   2.961
  414    HA   LYS  57           HA       LYS  57   8.331   4.914   2.783
  415    HB2  LYS  57           HB2      LYS  57  10.197   6.001   3.771
  416    HB3  LYS  57           HB1      LYS  57  11.053   6.087   2.238
  417    HG2  LYS  57           HG2      LYS  57   9.588   7.736   1.399
  418    HG3  LYS  57           HG1      LYS  57   8.434   7.476   2.700
  419    HD2  LYS  57           HD2      LYS  57  11.218   8.569   3.073
  420    HD3  LYS  57           HD1      LYS  57   9.765   9.560   2.918
  421    HE2  LYS  57           HE2      LYS  57   8.829   8.361   4.903
  422    HE3  LYS  57           HE1      LYS  57  10.386   7.561   5.091
  423    HZ1  LYS  57           HZ1      LYS  57  10.262   9.448   6.528
  424    HZ2  LYS  57           HZ2      LYS  57   9.850  10.466   5.245
  425    HZ3  LYS  57           HZ3      LYS  57  11.401   9.782   5.315
  426    H    ILE  58           HN       ILE  58   6.819   4.874   1.364
  427    HA   ILE  58           HA       ILE  58   7.456   5.804  -1.336
  428    HB   ILE  58           HB       ILE  58   4.752   4.527  -0.658
  429   HG12  ILE  58          HG12      ILE  58   5.632   2.423  -1.803
  430   HG13  ILE  58          HG11      ILE  58   7.248   3.033  -1.469
  431   HG21  ILE  58          HG21      ILE  58   4.628   4.131  -3.013
  432   HG22  ILE  58          HG22      ILE  58   6.204   4.881  -3.241
  433   HG23  ILE  58          HG23      ILE  58   4.849   5.824  -2.625
  434   HD11  ILE  58          HD11      ILE  58   6.770   2.998   0.917
  435   HD12  ILE  58          HD12      ILE  58   6.558   1.400   0.193
  436   HD13  ILE  58          HD13      ILE  58   5.147   2.385   0.589
  437    HA   PRO  59           HA       PRO  59   5.438   9.327   0.638
  438    HB2  PRO  59           HB2      PRO  59   5.626  10.332  -2.150
  439    HB3  PRO  59           HB1      PRO  59   6.183  11.095  -0.655
  440    HG2  PRO  59           HG2      PRO  59   7.915  10.051  -2.412
  441    HG3  PRO  59           HG1      PRO  59   8.186   9.941  -0.663
  442    HD2  PRO  59           HD2      PRO  59   7.249   7.836  -2.560
  443    HD3  PRO  59           HD1      PRO  59   8.300   7.707  -1.139
  444    H    ASP  60           HN       ASP  60   3.170   9.500   0.736
  445    HA   ASP  60           HA       ASP  60   1.445   8.089  -0.824
  446    HB2  ASP  60           HB2      ASP  60  -0.423   9.467  -0.085
  447    HB3  ASP  60           HB1      ASP  60   0.710   9.380   1.229
  448    H    ASP  61           HN       ASP  61   2.800  11.169  -1.609
  449    HA   ASP  61           HA       ASP  61   1.415  11.795  -4.002
  450    HB2  ASP  61           HB2      ASP  61   2.847  13.449  -2.994
  451    HB3  ASP  61           HB1      ASP  61   4.244  12.394  -3.118
  452    H    ASP  62           HN       ASP  62   3.953   9.552  -3.447
  453    HA   ASP  62           HA       ASP  62   4.245   9.092  -6.325
  454    HB2  ASP  62           HB2      ASP  62   6.346   9.083  -4.909
  455    HB3  ASP  62           HB1      ASP  62   5.733   7.609  -4.150
  456    H    VAL  63           HN       VAL  63   3.066   7.587  -3.453
  457    HA   VAL  63           HA       VAL  63   2.664   5.030  -4.451
  458    HB   VAL  63           HB       VAL  63   2.571   5.785  -1.982
  459   HG11  VAL  63          HG11      VAL  63   0.396   6.058  -1.006
  460   HG12  VAL  63          HG12      VAL  63  -0.338   5.981  -2.602
  461   HG13  VAL  63          HG13      VAL  63   0.714   7.332  -2.193
  462   HG21  VAL  63          HG21      VAL  63   1.266   3.834  -1.339
  463   HG22  VAL  63          HG22      VAL  63   2.397   3.495  -2.651
  464   HG23  VAL  63          HG23      VAL  63   0.680   3.697  -2.996
  465    H    LYS  64           HN       LYS  64   0.852   7.821  -5.082
  466    HA   LYS  64           HA       LYS  64  -1.565   6.702  -5.802
  467    HB2  LYS  64           HB2      LYS  64  -1.920   8.644  -7.305
  468    HB3  LYS  64           HB1      LYS  64  -1.248   9.158  -5.769
  469    HG2  LYS  64           HG2      LYS  64   0.950   9.343  -6.766
  470    HG3  LYS  64           HG1      LYS  64   0.295   8.797  -8.310
  471    HD2  LYS  64           HD2      LYS  64   0.534  11.208  -8.273
  472    HD3  LYS  64           HD1      LYS  64  -1.167  10.746  -8.379
  473    HE2  LYS  64           HE2      LYS  64  -1.470  11.214  -6.010
  474    HE3  LYS  64           HE1      LYS  64   0.252  11.551  -5.831
  475    HZ1  LYS  64           HZ1      LYS  64   0.006  13.436  -7.304
  476    HZ2  LYS  64           HZ2      LYS  64  -1.063  13.594  -6.008
  477    HZ3  LYS  64           HZ3      LYS  64  -1.637  13.110  -7.515
  478    H    ASN  65           HN       ASN  65   1.514   6.636  -7.304
  479    HA   ASN  65           HA       ASN  65   0.633   5.774  -9.916
  480    HB2  ASN  65           HB2      ASN  65   3.378   5.591  -8.636
  481    HB3  ASN  65           HB1      ASN  65   3.026   5.158 -10.297
  482   HD21  ASN  65          HD21      ASN  65   3.583   7.695  -8.070
  483   HD22  ASN  65          HD22      ASN  65   3.667   8.985  -9.207
  484    H    LEU  66           HN       LEU  66   0.909   4.382  -6.863
  485    HA   LEU  66           HA       LEU  66   1.415   1.681  -7.881
  486    HB2  LEU  66           HB2      LEU  66   1.148   2.660  -5.061
  487    HB3  LEU  66           HB1      LEU  66   1.606   1.056  -5.618
  488    HG   LEU  66           HG       LEU  66   3.221   3.593  -6.050
  489   HD11  LEU  66          HD11      LEU  66   3.111   3.053  -3.749
  490   HD12  LEU  66          HD12      LEU  66   4.729   2.725  -4.366
  491   HD13  LEU  66          HD13      LEU  66   3.601   1.386  -4.052
  492   HD21  LEU  66          HD21      LEU  66   5.021   2.094  -6.673
  493   HD22  LEU  66          HD22      LEU  66   3.625   1.898  -7.733
  494   HD23  LEU  66          HD23      LEU  66   3.948   0.712  -6.465
  495    H    LYS  67           HN       LYS  67  -0.952   3.066  -8.401
  496    HA   LYS  67           HA       LYS  67  -3.271   2.852  -7.134
  497    HB2  LYS  67           HB2      LYS  67  -4.346   2.120  -9.256
  498    HB3  LYS  67           HB1      LYS  67  -3.225   3.473  -9.409
  499    HG2  LYS  67           HG2      LYS  67  -1.506   2.020 -10.246
  500    HG3  LYS  67           HG1      LYS  67  -2.519   0.606 -10.005
  501    HD2  LYS  67           HD2      LYS  67  -2.489   1.264 -12.347
  502    HD3  LYS  67           HD1      LYS  67  -4.098   1.509 -11.667
  503    HE2  LYS  67           HE2      LYS  67  -3.721   3.874 -11.479
  504    HE3  LYS  67           HE1      LYS  67  -2.029   3.686 -11.946
  505    HZ1  LYS  67           HZ1      LYS  67  -3.439   4.453 -13.798
  506    HZ2  LYS  67           HZ2      LYS  67  -4.329   3.003 -13.705
  507    HZ3  LYS  67           HZ3      LYS  67  -2.671   2.986 -14.075
  508    H    THR  68           HN       THR  68  -1.525  -0.119  -8.067
  509    HA   THR  68           HA       THR  68  -3.714  -1.618  -6.875
  510    HB   THR  68           HB       THR  68  -2.756  -3.634  -7.987
  511    HG1  THR  68           HG1      THR  68  -1.386  -2.065  -9.843
  512   HG21  THR  68          HG21      THR  68  -3.601  -3.119 -10.227
  513   HG22  THR  68          HG22      THR  68  -3.564  -1.395  -9.825
  514   HG23  THR  68          HG23      THR  68  -4.648  -2.483  -8.955
  515    H    VAL  69           HN       VAL  69  -3.157  -3.452  -5.559
  516    HA   VAL  69           HA       VAL  69  -1.150  -2.914  -3.635
  517    HB   VAL  69           HB       VAL  69  -2.021  -5.689  -4.265
  518   HG11  VAL  69          HG11      VAL  69  -1.771  -5.932  -1.820
  519   HG12  VAL  69          HG12      VAL  69  -1.441  -4.192  -1.736
  520   HG13  VAL  69          HG13      VAL  69  -0.316  -5.245  -2.587
  521   HG21  VAL  69          HG21      VAL  69  -4.097  -4.412  -4.269
  522   HG22  VAL  69          HG22      VAL  69  -3.677  -3.695  -2.713
  523   HG23  VAL  69          HG23      VAL  69  -3.998  -5.425  -2.831
  524    H    GLY  70           HN       GLY  70  -1.174  -4.775  -6.531
  525    HA2  GLY  70           HA2      GLY  70   1.333  -6.065  -6.151
  526    HA3  GLY  70           HA1      GLY  70   0.459  -5.933  -7.670
  527    H    ASP  71           HN       ASP  71   0.384  -2.953  -7.294
  528    HA   ASP  71           HA       ASP  71   2.825  -2.402  -8.714
  529    HB2  ASP  71           HB2      ASP  71   0.371  -1.270  -8.734
  530    HB3  ASP  71           HB1      ASP  71   1.218  -0.245  -7.566
  531    H    ALA  72           HN       ALA  72   1.335  -1.524  -5.604
  532    HA   ALA  72           HA       ALA  72   3.441  -0.122  -4.397
  533    HB1  ALA  72           HB1      ALA  72   1.541  -2.084  -3.135
  534    HB2  ALA  72           HB2      ALA  72   1.230  -0.371  -3.413
  535    HB3  ALA  72           HB3      ALA  72   2.497  -0.867  -2.293
  536    H    THR  73           HN       THR  73   2.676  -3.549  -4.322
  537    HA   THR  73           HA       THR  73   4.907  -4.374  -2.860
  538    HB   THR  73           HB       THR  73   3.225  -6.017  -4.790
  539    HG1  THR  73           HG1      THR  73   1.823  -5.121  -3.347
  540   HG21  THR  73          HG21      THR  73   3.768  -7.890  -3.319
  541   HG22  THR  73          HG22      THR  73   4.707  -6.822  -2.286
  542   HG23  THR  73          HG23      THR  73   5.267  -7.172  -3.930
  543    H    LYS  74           HN       LYS  74   4.575  -3.514  -6.177
  544    HA   LYS  74           HA       LYS  74   6.812  -4.960  -7.221
  545    HB2  LYS  74           HB2      LYS  74   4.771  -3.698  -8.398
  546    HB3  LYS  74           HB1      LYS  74   5.893  -2.352  -8.361
  547    HG2  LYS  74           HG2      LYS  74   6.163  -3.306 -10.465
  548    HG3  LYS  74           HG1      LYS  74   7.534  -3.913  -9.528
  549    HD2  LYS  74           HD2      LYS  74   6.522  -5.717 -10.825
  550    HD3  LYS  74           HD1      LYS  74   6.294  -5.989  -9.092
  551    HE2  LYS  74           HE2      LYS  74   4.018  -5.134  -9.223
  552    HE3  LYS  74           HE1      LYS  74   4.233  -4.756 -10.928
  553    HZ1  LYS  74           HZ1      LYS  74   3.008  -6.804 -10.563
  554    HZ2  LYS  74           HZ2      LYS  74   4.320  -7.493  -9.761
  555    HZ3  LYS  74           HZ3      LYS  74   4.438  -7.061 -11.421
  556    H    TYR  75           HN       TYR  75   6.145  -1.597  -6.257
  557    HA   TYR  75           HA       TYR  75   8.689  -0.526  -6.488
  558    HB2  TYR  75           HB2      TYR  75   6.611   0.774  -6.334
  559    HB3  TYR  75           HB1      TYR  75   6.352   0.195  -4.699
  560    HD1  TYR  75           HD2      TYR  75   8.121   0.895  -2.921
  561    HD2  TYR  75           HD1      TYR  75   7.809   2.735  -6.737
  562    HE1  TYR  75           HE2      TYR  75   9.287   2.813  -2.080
  563    HE2  TYR  75           HE1      TYR  75   8.997   4.673  -5.905
  564    HH   TYR  75           HH       TYR  75   9.490   5.768  -3.831
  565    H    ILE  76           HN       ILE  76   6.908  -1.672  -3.661
  566    HA   ILE  76           HA       ILE  76   8.846  -1.043  -1.814
  567    HB   ILE  76           HB       ILE  76   6.516  -2.959  -1.566
  568   HG12  ILE  76          HG12      ILE  76   6.876  -0.091  -0.666
  569   HG13  ILE  76          HG11      ILE  76   6.005  -0.601  -2.103
  570   HG21  ILE  76          HG21      ILE  76   8.269  -1.824   0.640
  571   HG22  ILE  76          HG22      ILE  76   8.136  -3.511   0.166
  572   HG23  ILE  76          HG23      ILE  76   6.751  -2.688   0.875
  573   HD11  ILE  76          HD11      ILE  76   5.262  -1.268   0.740
  574   HD12  ILE  76          HD12      ILE  76   4.383  -1.771  -0.709
  575   HD13  ILE  76          HD13      ILE  76   4.494  -0.062  -0.294
  576    H    LEU  77           HN       LEU  77   8.250  -4.168  -3.447
  577    HA   LEU  77           HA       LEU  77  10.036  -5.570  -1.766
  578    HB2  LEU  77           HB2      LEU  77   8.137  -6.510  -3.042
  579    HB3  LEU  77           HB1      LEU  77   9.081  -6.402  -4.518
  580    HG   LEU  77           HG       LEU  77   9.854  -8.064  -2.114
  581   HD11  LEU  77          HD11      LEU  77   8.370  -8.873  -4.625
  582   HD12  LEU  77          HD12      LEU  77   7.722  -8.833  -2.983
  583   HD13  LEU  77          HD13      LEU  77   8.981  -9.992  -3.405
  584   HD21  LEU  77          HD21      LEU  77  10.773  -8.193  -5.000
  585   HD22  LEU  77          HD22      LEU  77  11.281  -9.287  -3.713
  586   HD23  LEU  77          HD23      LEU  77  11.717  -7.579  -3.644
  587    H    ASP  78           HN       ASP  78  10.234  -4.065  -4.972
  588    HA   ASP  78           HA       ASP  78  12.833  -5.029  -5.636
  589    HB2  ASP  78           HB2      ASP  78  11.180  -4.266  -7.316
  590    HB3  ASP  78           HB1      ASP  78  11.373  -2.619  -6.731
  591    H    HIS  79           HN       HIS  79  11.628  -2.215  -4.028
  592    HA   HIS  79           HA       HIS  79  14.253  -0.968  -3.872
  593    HB2  HIS  79           HB2      HIS  79  11.502  -0.021  -3.622
  594    HB3  HIS  79           HB1      HIS  79  12.584   0.603  -2.384
  595    HD1  HIS  79           HD1      HIS  79  13.979   2.526  -2.999
  596    HD2  HIS  79           HD2      HIS  79  12.430   0.587  -6.320
  597    HE1  HIS  79           HE1      HIS  79  14.571   3.983  -4.973
  598    HE2  HIS  79           HE2      HIS  79  13.995   2.505  -6.941
  599    H    GLN  80           HN       GLN  80  12.982  -3.377  -2.279
  600    HA   GLN  80           HA       GLN  80  12.611  -3.032   0.335
  601    HB2  GLN  80           HB2      GLN  80  13.916  -5.163  -1.174
  602    HB3  GLN  80           HB1      GLN  80  14.226  -5.153   0.553
  603    HG2  GLN  80           HG2      GLN  80  11.585  -5.303  -0.838
  604    HG3  GLN  80           HG1      GLN  80  12.361  -6.591   0.073
  605   HE21  GLN  80          HE21      GLN  80  10.445  -3.847   0.168
  606   HE22  GLN  80          HE22      GLN  80  10.096  -3.851   1.861
  607    H    ALA  81           HN       ALA  81  13.514  -2.469   2.079
  608    HA   ALA  81           HA       ALA  81  15.993  -1.202   2.268
  609    HB1  ALA  81           HB1      ALA  81  14.121  -0.712   3.742
  610    HB2  ALA  81           HB2      ALA  81  15.536  -1.213   4.671
  611    HB3  ALA  81           HB3      ALA  81  14.205  -2.341   4.412
  612    H28  SXH 101          H28B      SXH 101  -5.540   9.275  -2.438
  613   H28A  SXH 101          H28A      SXH 101  -6.396  10.047  -1.134
  614    H30  SXH 101          H30C      SXH 101  -3.894  12.363  -3.595
  615   H30A  SXH 101          H30A      SXH 101  -5.346  11.642  -4.297
  616   H30B  SXH 101          H30B      SXH 101  -4.037  10.604  -3.758
  617    H31  SXH 101          H31A      SXH 101  -6.568  12.496  -1.033
  618   H31A  SXH 101          H31C      SXH 101  -5.512  13.514  -2.062
  619   H31B  SXH 101          H31B      SXH 101  -6.820  12.527  -2.785
  620    H32  SXH 101          H32A      SXH 101  -3.403  12.216  -1.187
  621   HO33  SXH 101          H33A      SXH 101  -4.675  10.678   0.584
  622   HN36  SXH 101          H36A      SXH 101  -2.367  10.611  -2.541
  623    H37  SXH 101          H37A      SXH 101  -0.785   8.928  -2.159
  624   H37A  SXH 101          H37B      SXH 101  -2.043   7.956  -1.307
  625    H38  SXH 101          H38A      SXH 101  -2.203   8.968  -4.062
  626   H38A  SXH 101          H38B      SXH 101  -1.474   7.433  -3.628
  627   HN41  SXH 101          H41A      SXH 101  -3.184   7.127  -5.149
  628    H42  SXH 101          H42A      SXH 101  -5.815   6.719  -4.056
  629   H42A  SXH 101          H42B      SXH 101  -5.276   6.292  -5.697
  630    H43  SXH 101          H43A      SXH 101  -5.537   4.216  -4.377
  631   H43A  SXH 101          H43B      SXH 101  -4.594   5.080  -3.132
  632    H2   SXH 101           H2A      SXH 101  -1.875   3.184  -2.415
  633    H2A  SXH 101           H2B      SXH 101  -1.001   3.120  -3.939
  634    H3   SXH 101           H3A      SXH 101  -1.378   0.749  -4.115
  635    H3A  SXH 101           H3B      SXH 101  -2.343   0.768  -2.645
  636    H4   SXH 101           H4B      SXH 101   0.012  -0.051  -2.405
  637    H4A  SXH 101           H4A      SXH 101   0.525   1.606  -2.708
  638    H5   SXH 101           H5A      SXH 101  -1.241   0.669  -0.451
  639    H5A  SXH 101           H5B      SXH 101  -0.749   2.345  -0.755
  640    H6   SXH 101           H6C      SXH 101   0.661   1.283   0.933
  641    H6A  SXH 101           H6A      SXH 101   1.592   1.676  -0.510
  642    H6B  SXH 101           H6B      SXH 101   1.084   0.013  -0.213
  Start of MODEL   19
    1    H1   ALA   1           HT1      ALA   1  13.347  -6.567   5.520
    2    H2   ALA   1           HT2      ALA   1  14.763  -6.116   4.738
    3    H3   ALA   1           HT3      ALA   1  14.487  -7.747   5.096
    4    HA   ALA   1           HA       ALA   1  13.014  -6.028   3.204
    5    HB1  ALA   1           HB1      ALA   1  14.735  -8.449   2.699
    6    HB2  ALA   1           HB2      ALA   1  15.208  -6.770   2.417
    7    HB3  ALA   1           HB3      ALA   1  13.894  -7.483   1.483
    8    H    ALA   2           HN       ALA   2  10.975  -6.498   3.035
    9    HA   ALA   2           HA       ALA   2   9.846  -9.007   3.945
   10    HB1  ALA   2           HB1      ALA   2   7.688  -7.949   3.450
   11    HB2  ALA   2           HB2      ALA   2   8.524  -6.585   2.713
   12    HB3  ALA   2           HB3      ALA   2   8.697  -6.894   4.441
   13    H    THR   3           HN       THR   3   7.797  -9.629   2.189
   14    HA   THR   3           HA       THR   3   9.178 -10.013  -0.334
   15    HB   THR   3           HB       THR   3   8.067 -12.276  -0.399
   16    HG1  THR   3           HG1      THR   3   7.290 -13.108   1.543
   17   HG21  THR   3          HG21      THR   3  10.009 -11.862   1.890
   18   HG22  THR   3          HG22      THR   3  10.451 -12.090   0.197
   19   HG23  THR   3          HG23      THR   3   9.678 -13.401   1.092
   20    H    GLN   4           HN       GLN   4   7.120 -11.228  -1.674
   21    HA   GLN   4           HA       GLN   4   5.469  -9.052  -2.254
   22    HB2  GLN   4           HB2      GLN   4   6.029 -10.795  -3.898
   23    HB3  GLN   4           HB1      GLN   4   5.144 -11.983  -2.970
   24    HG2  GLN   4           HG2      GLN   4   3.717  -9.594  -4.112
   25    HG3  GLN   4           HG1      GLN   4   4.122 -10.963  -5.138
   26   HE21  GLN   4          HE21      GLN   4   2.124  -9.811  -2.566
   27   HE22  GLN   4          HE22      GLN   4   1.058 -11.156  -2.472
   28    H    GLU   5           HN       GLU   5   4.695 -12.097  -0.589
   29    HA   GLU   5           HA       GLU   5   2.070 -11.366   0.035
   30    HB2  GLU   5           HB2      GLU   5   2.916 -13.670   0.038
   31    HB3  GLU   5           HB1      GLU   5   3.894 -13.298   1.451
   32    HG2  GLU   5           HG2      GLU   5   1.874 -12.833   2.725
   33    HG3  GLU   5           HG1      GLU   5   0.923 -13.195   1.278
   34    H    GLU   6           HN       GLU   6   5.106 -10.894   1.718
   35    HA   GLU   6           HA       GLU   6   3.924 -10.110   4.181
   36    HB2  GLU   6           HB2      GLU   6   6.692  -9.556   3.156
   37    HB3  GLU   6           HB1      GLU   6   6.144  -9.205   4.785
   38    HG2  GLU   6           HG2      GLU   6   6.240 -11.901   3.498
   39    HG3  GLU   6           HG1      GLU   6   7.378 -11.292   4.711
   40    H    ILE   7           HN       ILE   7   5.236  -8.146   1.473
   41    HA   ILE   7           HA       ILE   7   4.622  -5.673   2.597
   42    HB   ILE   7           HB       ILE   7   4.649  -6.579  -0.290
   43   HG12  ILE   7          HG12      ILE   7   6.735  -5.127   1.318
   44   HG13  ILE   7          HG11      ILE   7   6.707  -6.872   1.097
   45   HG21  ILE   7          HG21      ILE   7   4.931  -4.199  -0.842
   46   HG22  ILE   7          HG22      ILE   7   4.740  -3.779   0.860
   47   HG23  ILE   7          HG23      ILE   7   3.390  -4.480  -0.032
   48   HD11  ILE   7          HD11      ILE   7   6.880  -6.560  -1.299
   49   HD12  ILE   7          HD12      ILE   7   8.233  -5.845  -0.429
   50   HD13  ILE   7          HD13      ILE   7   6.942  -4.817  -1.060
   51    H    VAL   8           HN       VAL   8   2.792  -7.850   0.586
   52    HA   VAL   8           HA       VAL   8   0.458  -6.282   0.287
   53    HB   VAL   8           HB       VAL   8   0.792  -9.303   0.225
   54   HG11  VAL   8          HG11      VAL   8  -1.677  -7.704  -0.496
   55   HG12  VAL   8          HG12      VAL   8  -1.534  -8.793   0.881
   56   HG13  VAL   8          HG13      VAL   8  -1.451  -9.432  -0.762
   57   HG21  VAL   8          HG21      VAL   8   0.487  -8.981  -2.164
   58   HG22  VAL   8          HG22      VAL   8   1.847  -8.041  -1.553
   59   HG23  VAL   8          HG23      VAL   8   0.319  -7.247  -1.918
   60    H    ALA   9           HN       ALA   9   1.126  -8.820   2.688
   61    HA   ALA   9           HA       ALA   9  -1.245  -8.544   4.144
   62    HB1  ALA   9           HB1      ALA   9  -0.097  -9.751   5.904
   63    HB2  ALA   9           HB2      ALA   9   1.454  -9.443   5.123
   64    HB3  ALA   9           HB3      ALA   9   0.252 -10.462   4.328
   65    H    GLY  10           HN       GLY  10   1.814  -6.792   4.355
   66    HA2  GLY  10           HA2      GLY  10   1.281  -5.565   6.852
   67    HA3  GLY  10           HA1      GLY  10   2.509  -5.087   5.682
   68    H    LEU  11           HN       LEU  11   0.955  -4.592   3.476
   69    HA   LEU  11           HA       LEU  11  -0.099  -2.001   3.968
   70    HB2  LEU  11           HB2      LEU  11  -0.588  -3.880   1.652
   71    HB3  LEU  11           HB1      LEU  11  -1.000  -2.182   1.681
   72    HG   LEU  11           HG       LEU  11   1.788  -3.322   1.753
   73   HD11  LEU  11          HD11      LEU  11   0.717  -3.577  -0.413
   74   HD12  LEU  11          HD12      LEU  11   1.981  -2.348  -0.478
   75   HD13  LEU  11          HD13      LEU  11   0.286  -1.867  -0.415
   76   HD21  LEU  11          HD21      LEU  11   1.617  -1.246   3.012
   77   HD22  LEU  11          HD22      LEU  11   0.836  -0.469   1.635
   78   HD23  LEU  11          HD23      LEU  11   2.512  -1.005   1.513
   79    H    ALA  12           HN       ALA  12  -1.561  -5.157   3.522
   80    HA   ALA  12           HA       ALA  12  -4.237  -4.359   3.510
   81    HB1  ALA  12           HB1      ALA  12  -4.774  -6.611   4.099
   82    HB2  ALA  12           HB2      ALA  12  -3.083  -6.936   4.523
   83    HB3  ALA  12           HB3      ALA  12  -3.534  -6.567   2.843
   84    H    GLU  13           HN       GLU  13  -2.127  -5.395   6.126
   85    HA   GLU  13           HA       GLU  13  -3.768  -5.394   8.290
   86    HB2  GLU  13           HB2      GLU  13  -1.747  -6.133   8.873
   87    HB3  GLU  13           HB1      GLU  13  -0.989  -5.300   7.542
   88    HG2  GLU  13           HG2      GLU  13   0.092  -4.469   9.311
   89    HG3  GLU  13           HG1      GLU  13  -1.167  -3.281   8.995
   90    H    ILE  14           HN       ILE  14  -2.140  -2.722   6.779
   91    HA   ILE  14           HA       ILE  14  -3.050  -0.762   8.663
   92    HB   ILE  14           HB       ILE  14  -2.019  -0.317   5.835
   93   HG12  ILE  14          HG12      ILE  14  -0.397  -0.313   8.378
   94   HG13  ILE  14          HG11      ILE  14  -0.581  -1.760   7.392
   95   HG21  ILE  14          HG21      ILE  14  -1.301   1.835   6.851
   96   HG22  ILE  14          HG22      ILE  14  -2.090   1.357   8.360
   97   HG23  ILE  14          HG23      ILE  14  -3.056   1.630   6.907
   98   HD11  ILE  14          HD11      ILE  14   0.412  -0.612   5.514
   99   HD12  ILE  14          HD12      ILE  14   1.487  -0.608   6.912
  100   HD13  ILE  14          HD13      ILE  14   0.592   0.857   6.480
  101    H    VAL  15           HN       VAL  15  -3.936  -1.514   5.291
  102    HA   VAL  15           HA       VAL  15  -6.091   0.180   4.871
  103    HB   VAL  15           HB       VAL  15  -5.686  -2.614   3.769
  104   HG11  VAL  15          HG11      VAL  15  -7.286  -0.302   2.649
  105   HG12  VAL  15          HG12      VAL  15  -7.955  -1.778   3.336
  106   HG13  VAL  15          HG13      VAL  15  -7.016  -1.852   1.855
  107   HG21  VAL  15          HG21      VAL  15  -3.776  -1.204   3.448
  108   HG22  VAL  15          HG22      VAL  15  -4.788   0.047   2.703
  109   HG23  VAL  15          HG23      VAL  15  -4.614  -1.556   1.948
  110    H    ASN  16           HN       ASN  16  -5.992  -2.922   6.509
  111    HA   ASN  16           HA       ASN  16  -8.743  -3.450   6.780
  112    HB2  ASN  16           HB2      ASN  16  -6.412  -4.146   8.542
  113    HB3  ASN  16           HB1      ASN  16  -8.036  -4.468   9.109
  114   HD21  ASN  16          HD21      ASN  16  -6.626  -4.861   5.908
  115   HD22  ASN  16          HD22      ASN  16  -6.836  -6.565   5.836
  116    H    GLU  17           HN       GLU  17  -6.586  -1.524   8.759
  117    HA   GLU  17           HA       GLU  17  -8.567  -1.013  10.731
  118    HB2  GLU  17           HB2      GLU  17  -5.881   0.269  10.296
  119    HB3  GLU  17           HB1      GLU  17  -6.901   0.504  11.706
  120    HG2  GLU  17           HG2      GLU  17  -5.595  -2.062  10.825
  121    HG3  GLU  17           HG1      GLU  17  -5.176  -1.074  12.222
  122    H    ILE  18           HN       ILE  18  -7.310   0.853   7.988
  123    HA   ILE  18           HA       ILE  18  -8.922   3.149   8.921
  124    HB   ILE  18           HB       ILE  18  -7.389   3.270   6.374
  125   HG12  ILE  18          HG12      ILE  18  -6.066   3.678   9.056
  126   HG13  ILE  18          HG11      ILE  18  -5.848   2.208   8.092
  127   HG21  ILE  18          HG21      ILE  18  -7.037   5.568   7.163
  128   HG22  ILE  18          HG22      ILE  18  -7.895   5.182   8.656
  129   HG23  ILE  18          HG23      ILE  18  -8.749   5.145   7.110
  130   HD11  ILE  18          HD11      ILE  18  -4.022   3.805   7.746
  131   HD12  ILE  18          HD12      ILE  18  -5.220   5.005   7.216
  132   HD13  ILE  18          HD13      ILE  18  -4.973   3.567   6.273
  133    H    ALA  19           HN       ALA  19  -8.391   1.423   5.775
  134    HA   ALA  19           HA       ALA  19 -10.750   2.576   4.629
  135    HB1  ALA  19           HB1      ALA  19  -9.147   0.203   3.655
  136    HB2  ALA  19           HB2      ALA  19  -8.895   1.886   3.177
  137    HB3  ALA  19           HB3      ALA  19 -10.384   1.053   2.740
  138    H    GLY  20           HN       GLY  20  -9.932  -0.603   5.836
  139    HA2  GLY  20           HA2      GLY  20 -11.553  -1.876   7.040
  140    HA3  GLY  20           HA1      GLY  20 -12.802  -1.154   6.033
  141    H    ILE  21           HN       ILE  21  -9.983  -1.953   4.227
  142    HA   ILE  21           HA       ILE  21 -11.415  -4.147   3.042
  143    HB   ILE  21           HB       ILE  21  -8.686  -3.009   2.382
  144   HG12  ILE  21          HG12      ILE  21 -10.426  -1.403   1.973
  145   HG13  ILE  21          HG11      ILE  21  -9.869  -2.053   0.431
  146   HG21  ILE  21          HG21      ILE  21 -10.406  -4.976   0.866
  147   HG22  ILE  21          HG22      ILE  21  -8.894  -5.345   1.693
  148   HG23  ILE  21          HG23      ILE  21  -8.893  -4.277   0.289
  149   HD11  ILE  21          HD11      ILE  21 -12.338  -2.879   1.909
  150   HD12  ILE  21          HD12      ILE  21 -11.785  -3.528   0.353
  151   HD13  ILE  21          HD13      ILE  21 -12.242  -1.817   0.499
  152    HA   PRO  22           HA       PRO  22  -9.474  -6.793   6.066
  153    HB2  PRO  22           HB2      PRO  22 -10.616  -8.915   4.386
  154    HB3  PRO  22           HB1      PRO  22 -10.896  -8.578   6.097
  155    HG2  PRO  22           HG2      PRO  22 -12.752  -8.112   4.272
  156    HG3  PRO  22           HG1      PRO  22 -12.521  -6.993   5.635
  157    HD2  PRO  22           HD2      PRO  22 -11.605  -6.736   2.794
  158    HD3  PRO  22           HD1      PRO  22 -12.310  -5.505   3.866
  159    H    VAL  23           HN       VAL  23  -8.030  -8.716   6.063
  160    HA   VAL  23           HA       VAL  23  -5.973  -8.252   4.154
  161    HB   VAL  23           HB       VAL  23  -4.652 -10.045   5.333
  162   HG11  VAL  23          HG11      VAL  23  -5.824  -7.913   7.107
  163   HG12  VAL  23          HG12      VAL  23  -4.443  -7.729   6.025
  164   HG13  VAL  23          HG13      VAL  23  -4.334  -8.804   7.419
  165   HG21  VAL  23          HG21      VAL  23  -7.077 -10.154   7.118
  166   HG22  VAL  23          HG22      VAL  23  -5.524 -10.921   7.461
  167   HG23  VAL  23          HG23      VAL  23  -6.486 -11.444   6.076
  168    H    GLU  24           HN       GLU  24  -8.628 -10.197   4.077
  169    HA   GLU  24           HA       GLU  24  -7.506 -12.269   2.409
  170    HB2  GLU  24           HB2      GLU  24  -9.876 -12.940   2.073
  171    HB3  GLU  24           HB1      GLU  24  -9.390 -12.885   3.759
  172    HG2  GLU  24           HG2      GLU  24 -10.614 -10.968   4.178
  173    HG3  GLU  24           HG1      GLU  24 -10.777 -10.568   2.463
  174    H    ASP  25           HN       ASP  25  -8.915  -9.153   2.012
  175    HA   ASP  25           HA       ASP  25  -9.715  -9.728  -0.710
  176    HB2  ASP  25           HB2      ASP  25 -11.164  -8.435   0.932
  177    HB3  ASP  25           HB1      ASP  25 -10.023  -7.111   0.766
  178    H    VAL  26           HN       VAL  26  -7.378  -7.623   1.035
  179    HA   VAL  26           HA       VAL  26  -6.238  -6.417  -1.180
  180    HB   VAL  26           HB       VAL  26  -5.004  -7.171   1.485
  181   HG11  VAL  26          HG11      VAL  26  -3.244  -6.724  -0.145
  182   HG12  VAL  26          HG12      VAL  26  -3.344  -5.418   1.032
  183   HG13  VAL  26          HG13      VAL  26  -4.013  -5.200  -0.587
  184   HG21  VAL  26          HG21      VAL  26  -6.940  -5.718   1.715
  185   HG22  VAL  26          HG22      VAL  26  -6.250  -4.589   0.547
  186   HG23  VAL  26          HG23      VAL  26  -5.458  -4.846   2.103
  187    H    LYS  27           HN       LYS  27  -5.899  -7.805  -2.773
  188    HA   LYS  27           HA       LYS  27  -3.665  -9.691  -2.503
  189    HB2  LYS  27           HB2      LYS  27  -5.943  -9.596  -4.492
  190    HB3  LYS  27           HB1      LYS  27  -4.591 -10.730  -4.619
  191    HG2  LYS  27           HG2      LYS  27  -6.700 -10.603  -2.459
  192    HG3  LYS  27           HG1      LYS  27  -6.551 -11.828  -3.721
  193    HD2  LYS  27           HD2      LYS  27  -4.414 -12.541  -2.798
  194    HD3  LYS  27           HD1      LYS  27  -4.516 -11.282  -1.566
  195    HE2  LYS  27           HE2      LYS  27  -6.555 -12.328  -0.697
  196    HE3  LYS  27           HE1      LYS  27  -6.405 -13.614  -1.900
  197    HZ1  LYS  27           HZ1      LYS  27  -5.504 -14.337   0.198
  198    HZ2  LYS  27           HZ2      LYS  27  -4.515 -12.954   0.266
  199    HZ3  LYS  27           HZ3      LYS  27  -4.213 -14.131  -0.900
  200    H    LEU  28           HN       LEU  28  -2.212  -9.552  -4.489
  201    HA   LEU  28           HA       LEU  28  -1.528  -6.832  -4.707
  202    HB2  LEU  28           HB2      LEU  28   0.368  -7.386  -5.824
  203    HB3  LEU  28           HB1      LEU  28  -0.015  -8.827  -4.911
  204    HG   LEU  28           HG       LEU  28  -0.735  -8.594  -7.805
  205   HD11  LEU  28          HD11      LEU  28   1.837  -9.529  -6.567
  206   HD12  LEU  28          HD12      LEU  28   1.569  -8.019  -7.421
  207   HD13  LEU  28          HD13      LEU  28   1.434  -9.557  -8.306
  208   HD21  LEU  28          HD21      LEU  28  -0.096 -10.929  -5.990
  209   HD22  LEU  28          HD22      LEU  28  -0.552 -11.033  -7.691
  210   HD23  LEU  28          HD23      LEU  28  -1.715 -10.444  -6.500
  211    H    ASP  29           HN       ASP  29  -3.450  -8.723  -6.866
  212    HA   ASP  29           HA       ASP  29  -3.212  -6.894  -9.073
  213    HB2  ASP  29           HB2      ASP  29  -3.454  -9.226  -9.531
  214    HB3  ASP  29           HB1      ASP  29  -4.860  -9.346  -8.495
  215    H    LYS  30           HN       LYS  30  -4.639  -6.550  -6.182
  216    HA   LYS  30           HA       LYS  30  -7.221  -5.666  -7.080
  217    HB2  LYS  30           HB2      LYS  30  -5.996  -5.953  -4.351
  218    HB3  LYS  30           HB1      LYS  30  -7.625  -5.415  -4.683
  219    HG2  LYS  30           HG2      LYS  30  -6.624  -8.100  -5.539
  220    HG3  LYS  30           HG1      LYS  30  -7.376  -7.810  -3.959
  221    HD2  LYS  30           HD2      LYS  30  -9.345  -6.942  -5.153
  222    HD3  LYS  30           HD1      LYS  30  -8.568  -7.362  -6.676
  223    HE2  LYS  30           HE2      LYS  30  -8.558  -9.703  -6.058
  224    HE3  LYS  30           HE1      LYS  30  -9.244  -9.310  -4.479
  225    HZ1  LYS  30           HZ1      LYS  30 -11.162  -8.399  -5.599
  226    HZ2  LYS  30           HZ2      LYS  30 -10.997 -10.035  -5.934
  227    HZ3  LYS  30           HZ3      LYS  30 -10.566  -8.872  -7.109
  228    H    SER  31           HN       SER  31  -6.952  -3.807  -7.897
  229    HA   SER  31           HA       SER  31  -5.273  -1.753  -6.919
  230    HB2  SER  31           HB2      SER  31  -6.313  -1.701  -9.208
  231    HB3  SER  31           HB1      SER  31  -7.874  -1.426  -8.447
  232    HG   SER  31           HG       SER  31  -5.810   0.313  -7.721
  233    H    PHE  32           HN       PHE  32  -5.447  -1.199  -4.924
  234    HA   PHE  32           HA       PHE  32  -7.387  -1.300  -3.072
  235    HB2  PHE  32           HB2      PHE  32  -5.448   0.906  -3.579
  236    HB3  PHE  32           HB1      PHE  32  -6.538   0.963  -2.190
  237    HD1  PHE  32           HD1      PHE  32  -6.497  -0.996  -0.629
  238    HD2  PHE  32           HD2      PHE  32  -3.390  -0.254  -3.451
  239    HE1  PHE  32           HE1      PHE  32  -5.011  -2.361   0.674
  240    HE2  PHE  32           HE2      PHE  32  -1.877  -1.607  -2.143
  241    HZ   PHE  32           HZ       PHE  32  -2.653  -2.689  -0.054
  242    H    THR  33           HN       THR  33  -7.048   1.756  -4.938
  243    HA   THR  33           HA       THR  33  -9.621   2.733  -4.392
  244    HB   THR  33           HB       THR  33  -7.998   3.728  -6.652
  245    HG1  THR  33           HG1      THR  33  -6.189   3.940  -5.506
  246   HG21  THR  33          HG21      THR  33  -8.984   4.953  -4.066
  247   HG22  THR  33          HG22      THR  33  -9.828   5.044  -5.616
  248   HG23  THR  33          HG23      THR  33  -8.262   5.835  -5.408
  249    H    ASP  34           HN       ASP  34 -10.127   0.193  -5.594
  250    HA   ASP  34           HA       ASP  34 -11.762   0.812  -7.827
  251    HB2  ASP  34           HB2      ASP  34  -9.685   1.081  -9.052
  252    HB3  ASP  34           HB1      ASP  34  -9.124  -0.498  -8.533
  253    H    ASP  35           HN       ASP  35  -9.702  -1.827  -6.782
  254    HA   ASP  35           HA       ASP  35 -11.689  -3.871  -7.470
  255    HB2  ASP  35           HB2      ASP  35  -8.982  -3.665  -7.486
  256    HB3  ASP  35           HB1      ASP  35  -9.240  -4.729  -6.145
  257    H    LEU  36           HN       LEU  36 -10.076  -2.507  -4.752
  258    HA   LEU  36           HA       LEU  36 -11.297  -4.406  -2.936
  259    HB2  LEU  36           HB2      LEU  36  -9.426  -2.092  -2.432
  260    HB3  LEU  36           HB1      LEU  36  -9.952  -3.267  -1.232
  261    HG   LEU  36           HG       LEU  36  -8.305  -3.851  -3.682
  262   HD11  LEU  36          HD11      LEU  36  -7.603  -3.864  -0.764
  263   HD12  LEU  36          HD12      LEU  36  -7.066  -2.679  -1.960
  264   HD13  LEU  36          HD13      LEU  36  -6.554  -4.362  -2.089
  265   HD21  LEU  36          HD21      LEU  36  -8.132  -6.071  -2.754
  266   HD22  LEU  36          HD22      LEU  36  -9.803  -5.642  -3.133
  267   HD23  LEU  36          HD23      LEU  36  -9.240  -5.616  -1.460
  268    H    ASP  37           HN       ASP  37 -10.798  -1.158  -2.210
  269    HA   ASP  37           HA       ASP  37 -12.783   0.415  -2.667
  270    HB2  ASP  37           HB2      ASP  37 -14.514  -1.247  -1.931
  271    HB3  ASP  37           HB1      ASP  37 -13.898  -1.167  -0.303
  272    H    VAL  38           HN       VAL  38 -10.682   1.259  -2.137
  273    HA   VAL  38           HA       VAL  38 -10.560   1.900   0.694
  274    HB   VAL  38           HB       VAL  38  -8.505   1.243  -0.688
  275   HG11  VAL  38          HG11      VAL  38  -8.750   4.069  -1.686
  276   HG12  VAL  38          HG12      VAL  38  -8.840   2.588  -2.641
  277   HG13  VAL  38          HG13      VAL  38  -7.324   3.048  -1.872
  278   HG21  VAL  38          HG21      VAL  38  -7.002   2.794   0.478
  279   HG22  VAL  38          HG22      VAL  38  -8.259   2.118   1.514
  280   HG23  VAL  38          HG23      VAL  38  -8.402   3.772   0.918
  281    H    ASP  39           HN       ASP  39 -10.546   4.243   1.287
  282    HA   ASP  39           HA       ASP  39 -12.154   5.755  -0.644
  283    HB2  ASP  39           HB2      ASP  39 -12.997   5.373   1.731
  284    HB3  ASP  39           HB1      ASP  39 -11.652   6.348   2.296
  285    H    SER  40           HN       SER  40  -9.246   5.154  -0.405
  286    HA   SER  40           HA       SER  40  -7.222   5.898  -0.737
  287    HB2  SER  40           HB2      SER  40  -6.900   7.729  -2.250
  288    HB3  SER  40           HB1      SER  40  -8.334   6.818  -2.736
  289    H    LEU  41           HN       LEU  41  -9.047   7.764   1.373
  290    HA   LEU  41           HA       LEU  41  -7.044   9.736   1.961
  291    HB2  LEU  41           HB2      LEU  41  -9.555   8.995   3.468
  292    HB3  LEU  41           HB1      LEU  41  -8.560  10.401   3.786
  293    HG   LEU  41           HG       LEU  41 -10.140   9.894   1.263
  294   HD11  LEU  41          HD11      LEU  41 -11.571  10.440   3.153
  295   HD12  LEU  41          HD12      LEU  41 -11.504  11.797   2.027
  296   HD13  LEU  41          HD13      LEU  41 -10.572  11.845   3.523
  297   HD21  LEU  41          HD21      LEU  41  -8.102  11.148   0.803
  298   HD22  LEU  41          HD22      LEU  41  -8.503  12.295   2.083
  299   HD23  LEU  41          HD23      LEU  41  -9.521  12.182   0.647
  300    H    SER  42           HN       SER  42  -7.822   6.541   2.896
  301    HA   SER  42           HA       SER  42  -6.589   6.459   5.396
  302    HB2  SER  42           HB2      SER  42  -6.695   3.959   4.496
  303    HB3  SER  42           HB1      SER  42  -8.142   4.827   5.040
  304    HG   SER  42           HG       SER  42  -8.857   4.522   3.166
  305    H    MET  43           HN       MET  43  -5.683   6.418   2.063
  306    HA   MET  43           HA       MET  43  -3.482   4.704   2.280
  307    HB2  MET  43           HB2      MET  43  -4.760   5.415   0.164
  308    HB3  MET  43           HB1      MET  43  -3.681   6.808   0.161
  309    HG2  MET  43           HG2      MET  43  -2.808   5.060  -1.247
  310    HG3  MET  43           HG1      MET  43  -1.759   5.305   0.157
  311    HE1  MET  43           HE1      MET  43  -4.743   1.810  -0.262
  312    HE2  MET  43           HE2      MET  43  -4.473   3.041  -1.499
  313    HE3  MET  43           HE3      MET  43  -5.245   3.478   0.022
  314    H    VAL  44           HN       VAL  44  -3.874   8.121   2.813
  315    HA   VAL  44           HA       VAL  44  -1.192   8.830   2.787
  316    HB   VAL  44           HB       VAL  44  -3.372   9.957   4.592
  317   HG11  VAL  44          HG11      VAL  44  -0.712  11.165   3.813
  318   HG12  VAL  44          HG12      VAL  44  -1.145  10.563   5.412
  319   HG13  VAL  44          HG13      VAL  44  -1.975  11.969   4.745
  320   HG21  VAL  44          HG21      VAL  44  -3.912  10.127   2.210
  321   HG22  VAL  44          HG22      VAL  44  -2.372  10.871   1.893
  322   HG23  VAL  44          HG23      VAL  44  -3.567  11.719   2.879
  323    H    GLU  45           HN       GLU  45  -3.204   7.521   5.402
  324    HA   GLU  45           HA       GLU  45  -1.055   7.449   7.259
  325    HB2  GLU  45           HB2      GLU  45  -3.727   6.068   7.313
  326    HB3  GLU  45           HB1      GLU  45  -2.584   6.111   8.644
  327    HG2  GLU  45           HG2      GLU  45  -2.793   8.592   8.632
  328    HG3  GLU  45           HG1      GLU  45  -4.096   8.411   7.455
  329    H    VAL  46           HN       VAL  46  -2.494   5.227   4.939
  330    HA   VAL  46           HA       VAL  46  -1.167   2.907   5.810
  331    HB   VAL  46           HB       VAL  46  -2.015   3.539   2.931
  332   HG11  VAL  46          HG11      VAL  46  -0.457   1.644   3.023
  333   HG12  VAL  46          HG12      VAL  46  -2.110   1.127   2.625
  334   HG13  VAL  46          HG13      VAL  46  -1.493   0.890   4.250
  335   HG21  VAL  46          HG21      VAL  46  -3.509   2.093   5.113
  336   HG22  VAL  46          HG22      VAL  46  -4.008   2.162   3.432
  337   HG23  VAL  46          HG23      VAL  46  -3.941   3.648   4.393
  338    H    VAL  47           HN       VAL  47  -0.245   5.528   3.756
  339    HA   VAL  47           HA       VAL  47   2.264   4.663   2.790
  340    HB   VAL  47           HB       VAL  47   0.903   7.330   3.215
  341   HG11  VAL  47          HG11      VAL  47   3.260   7.768   3.734
  342   HG12  VAL  47          HG12      VAL  47   2.795   8.496   2.195
  343   HG13  VAL  47          HG13      VAL  47   3.734   7.005   2.216
  344   HG21  VAL  47          HG21      VAL  47   0.272   6.012   1.300
  345   HG22  VAL  47          HG22      VAL  47   1.955   5.911   0.784
  346   HG23  VAL  47          HG23      VAL  47   1.126   7.469   0.791
  347    H    VAL  48           HN       VAL  48   1.634   6.889   5.476
  348    HA   VAL  48           HA       VAL  48   4.326   6.844   6.216
  349    HB   VAL  48           HB       VAL  48   1.920   7.754   7.829
  350   HG11  VAL  48          HG11      VAL  48   3.809   7.294   9.351
  351   HG12  VAL  48          HG12      VAL  48   3.497   9.025   9.208
  352   HG13  VAL  48          HG13      VAL  48   4.853   8.299   8.345
  353   HG21  VAL  48          HG21      VAL  48   3.960   9.170   6.169
  354   HG22  VAL  48          HG22      VAL  48   2.675   9.971   7.091
  355   HG23  VAL  48          HG23      VAL  48   2.278   8.901   5.738
  356    H    ALA  49           HN       ALA  49   1.875   4.654   6.887
  357    HA   ALA  49           HA       ALA  49   3.271   3.400   9.088
  358    HB1  ALA  49           HB1      ALA  49   1.530   1.665   8.926
  359    HB2  ALA  49           HB2      ALA  49   0.934   2.410   7.443
  360    HB3  ALA  49           HB3      ALA  49   0.819   3.278   8.969
  361    H    ALA  50           HN       ALA  50   2.642   2.696   5.655
  362    HA   ALA  50           HA       ALA  50   4.140   0.325   5.485
  363    HB1  ALA  50           HB1      ALA  50   2.463   0.976   3.823
  364    HB2  ALA  50           HB2      ALA  50   4.023   0.616   3.078
  365    HB3  ALA  50           HB3      ALA  50   3.510   2.290   3.289
  366    H    GLU  51           HN       GLU  51   5.027   3.666   5.081
  367    HA   GLU  51           HA       GLU  51   7.586   3.355   3.937
  368    HB2  GLU  51           HB2      GLU  51   6.779   5.366   5.984
  369    HB3  GLU  51           HB1      GLU  51   8.169   5.491   4.949
  370    HG2  GLU  51           HG2      GLU  51   6.781   5.755   3.011
  371    HG3  GLU  51           HG1      GLU  51   5.327   5.520   3.987
  372    H    GLU  52           HN       GLU  52   6.335   3.278   7.121
  373    HA   GLU  52           HA       GLU  52   8.859   3.397   8.471
  374    HB2  GLU  52           HB2      GLU  52   6.631   4.320   9.275
  375    HB3  GLU  52           HB1      GLU  52   6.180   2.660   9.622
  376    HG2  GLU  52           HG2      GLU  52   6.902   3.613  11.626
  377    HG3  GLU  52           HG1      GLU  52   8.199   2.534  11.099
  378    H    ARG  53           HN       ARG  53   6.373   0.950   7.837
  379    HA   ARG  53           HA       ARG  53   7.854  -1.022   9.311
  380    HB2  ARG  53           HB2      ARG  53   6.010  -2.519   8.870
  381    HB3  ARG  53           HB1      ARG  53   5.456  -0.932   9.420
  382    HG2  ARG  53           HG2      ARG  53   4.556  -0.377   7.391
  383    HG3  ARG  53           HG1      ARG  53   5.506  -1.582   6.521
  384    HD2  ARG  53           HD2      ARG  53   3.115  -2.181   6.771
  385    HD3  ARG  53           HD1      ARG  53   4.242  -3.358   7.434
  386    HE   ARG  53           HE       ARG  53   2.983  -1.370   9.208
  387   HH11  ARG  53          HH11      ARG  53   3.572  -4.761   8.415
  388   HH12  ARG  53          HH12      ARG  53   2.564  -5.395   9.629
  389   HH21  ARG  53          HH21      ARG  53   1.676  -2.216  10.951
  390   HH22  ARG  53          HH22      ARG  53   1.501  -3.897  11.162
  391    H    PHE  54           HN       PHE  54   7.689  -0.047   6.037
  392    HA   PHE  54           HA       PHE  54   8.887  -2.590   5.276
  393    HB2  PHE  54           HB2      PHE  54   7.538  -0.532   3.516
  394    HB3  PHE  54           HB1      PHE  54   8.370  -1.970   2.936
  395    HD1  PHE  54           HD1      PHE  54   7.604  -4.149   4.443
  396    HD2  PHE  54           HD2      PHE  54   5.256  -0.759   3.440
  397    HE1  PHE  54           HE1      PHE  54   5.571  -5.487   4.713
  398    HE2  PHE  54           HE2      PHE  54   3.213  -2.094   3.715
  399    HZ   PHE  54           HZ       PHE  54   3.371  -4.456   4.354
  400    H    ASP  55           HN       ASP  55   9.648   0.513   6.023
  401    HA   ASP  55           HA       ASP  55  11.576   1.655   6.117
  402    HB2  ASP  55           HB2      ASP  55  12.886  -0.914   5.182
  403    HB3  ASP  55           HB1      ASP  55  13.705   0.490   5.841
  404    H    VAL  56           HN       VAL  56  10.167   1.018   3.376
  405    HA   VAL  56           HA       VAL  56  12.400   1.755   1.634
  406    HB   VAL  56           HB       VAL  56  11.038  -0.184   0.941
  407   HG11  VAL  56          HG11      VAL  56   8.784   1.775   0.692
  408   HG12  VAL  56          HG12      VAL  56   8.874   0.376   1.764
  409   HG13  VAL  56          HG13      VAL  56   8.782   0.154   0.010
  410   HG21  VAL  56          HG21      VAL  56  10.838   2.152  -0.954
  411   HG22  VAL  56          HG22      VAL  56  10.668   0.453  -1.401
  412   HG23  VAL  56          HG23      VAL  56  12.204   1.049  -0.778
  413    H    LYS  57           HN       LYS  57   9.343   2.856   2.706
  414    HA   LYS  57           HA       LYS  57   8.250   4.786   2.706
  415    HB2  LYS  57           HB2      LYS  57  10.194   5.843   3.586
  416    HB3  LYS  57           HB1      LYS  57  10.919   5.993   1.992
  417    HG2  LYS  57           HG2      LYS  57   9.279   7.614   1.318
  418    HG3  LYS  57           HG1      LYS  57   8.352   7.352   2.791
  419    HD2  LYS  57           HD2      LYS  57  11.145   8.487   2.673
  420    HD3  LYS  57           HD1      LYS  57   9.667   9.440   2.827
  421    HE2  LYS  57           HE2      LYS  57   9.163   8.241   4.937
  422    HE3  LYS  57           HE1      LYS  57  10.695   7.385   4.792
  423    HZ1  LYS  57           HZ1      LYS  57  10.310  10.296   5.126
  424    HZ2  LYS  57           HZ2      LYS  57  11.808   9.542   4.810
  425    HZ3  LYS  57           HZ3      LYS  57  10.974   9.192   6.247
  426    H    ILE  58           HN       ILE  58   6.662   5.086   1.430
  427    HA   ILE  58           HA       ILE  58   7.175   6.118  -1.281
  428    HB   ILE  58           HB       ILE  58   4.525   4.800  -0.826
  429   HG12  ILE  58          HG12      ILE  58   5.449   2.602  -1.791
  430   HG13  ILE  58          HG11      ILE  58   7.034   3.163  -1.271
  431   HG21  ILE  58          HG21      ILE  58   4.667   4.310  -3.170
  432   HG22  ILE  58          HG22      ILE  58   6.253   5.074  -3.227
  433   HG23  ILE  58          HG23      ILE  58   4.827   6.005  -2.775
  434   HD11  ILE  58          HD11      ILE  58   6.264   3.232   1.036
  435   HD12  ILE  58          HD12      ILE  58   6.068   1.618   0.341
  436   HD13  ILE  58          HD13      ILE  58   4.668   2.680   0.525
  437    HA   PRO  59           HA       PRO  59   4.778   9.186   1.167
  438    HB2  PRO  59           HB2      PRO  59   5.088  11.089  -0.835
  439    HB3  PRO  59           HB1      PRO  59   6.175  10.911   0.548
  440    HG2  PRO  59           HG2      PRO  59   6.458   9.862  -2.237
  441    HG3  PRO  59           HG1      PRO  59   7.697  10.578  -1.181
  442    HD2  PRO  59           HD2      PRO  59   7.553   7.947  -1.546
  443    HD3  PRO  59           HD1      PRO  59   7.910   8.619   0.062
  444    H    ASP  60           HN       ASP  60   2.657  10.011   0.695
  445    HA   ASP  60           HA       ASP  60   1.116   8.368  -0.923
  446    HB2  ASP  60           HB2      ASP  60  -0.797   9.853  -0.521
  447    HB3  ASP  60           HB1      ASP  60   0.105   9.582   0.954
  448    H    ASP  61           HN       ASP  61   2.725  11.292  -1.850
  449    HA   ASP  61           HA       ASP  61   1.354  11.690  -4.334
  450    HB2  ASP  61           HB2      ASP  61   2.734  13.488  -3.539
  451    HB3  ASP  61           HB1      ASP  61   4.156  12.450  -3.490
  452    H    ASP  62           HN       ASP  62   3.862   9.677  -3.302
  453    HA   ASP  62           HA       ASP  62   4.636   8.975  -6.046
  454    HB2  ASP  62           HB2      ASP  62   6.325   9.273  -4.090
  455    HB3  ASP  62           HB1      ASP  62   5.767   7.679  -3.571
  456    H    VAL  63           HN       VAL  63   2.819   7.963  -3.435
  457    HA   VAL  63           HA       VAL  63   2.445   5.278  -4.109
  458    HB   VAL  63           HB       VAL  63   1.764   6.906  -1.954
  459   HG11  VAL  63          HG11      VAL  63  -0.792   5.791  -3.091
  460   HG12  VAL  63          HG12      VAL  63  -0.394   7.487  -2.818
  461   HG13  VAL  63          HG13      VAL  63  -0.585   6.404  -1.450
  462   HG21  VAL  63          HG21      VAL  63   2.624   4.691  -1.815
  463   HG22  VAL  63          HG22      VAL  63   1.129   4.031  -2.474
  464   HG23  VAL  63          HG23      VAL  63   1.131   4.807  -0.890
  465    H    LYS  64           HN       LYS  64   1.088   8.148  -5.374
  466    HA   LYS  64           HA       LYS  64  -1.286   7.261  -6.394
  467    HB2  LYS  64           HB2      LYS  64  -1.245   9.053  -8.054
  468    HB3  LYS  64           HB1      LYS  64  -0.453   9.652  -6.595
  469    HG2  LYS  64           HG2      LYS  64   1.710   9.290  -7.648
  470    HG3  LYS  64           HG1      LYS  64   0.909   8.674  -9.090
  471    HD2  LYS  64           HD2      LYS  64   1.556  10.970  -9.440
  472    HD3  LYS  64           HD1      LYS  64  -0.212  10.879  -9.352
  473    HE2  LYS  64           HE2      LYS  64  -0.159  11.724  -7.093
  474    HE3  LYS  64           HE1      LYS  64   1.599  11.649  -7.067
  475    HZ1  LYS  64           HZ1      LYS  64   1.493  13.295  -8.982
  476    HZ2  LYS  64           HZ2      LYS  64   1.170  13.820  -7.447
  477    HZ3  LYS  64           HZ3      LYS  64  -0.131  13.572  -8.527
  478    H    ASN  65           HN       ASN  65   1.883   6.514  -7.389
  479    HA   ASN  65           HA       ASN  65   1.264   5.555 -10.015
  480    HB2  ASN  65           HB2      ASN  65   3.660   4.958  -8.249
  481    HB3  ASN  65           HB1      ASN  65   3.528   4.557  -9.955
  482   HD21  ASN  65          HD21      ASN  65   4.128   7.014  -7.639
  483   HD22  ASN  65          HD22      ASN  65   4.578   8.264  -8.736
  484    H    LEU  66           HN       LEU  66   1.175   4.388  -6.781
  485    HA   LEU  66           HA       LEU  66   1.353   1.591  -7.558
  486    HB2  LEU  66           HB2      LEU  66   1.088   2.705  -4.814
  487    HB3  LEU  66           HB1      LEU  66   1.642   1.129  -5.363
  488    HG   LEU  66           HG       LEU  66   3.091   3.751  -5.708
  489   HD11  LEU  66          HD11      LEU  66   3.002   3.098  -3.413
  490   HD12  LEU  66          HD12      LEU  66   4.641   2.895  -4.034
  491   HD13  LEU  66          HD13      LEU  66   3.599   1.483  -3.805
  492   HD21  LEU  66          HD21      LEU  66   5.040   2.411  -6.341
  493   HD22  LEU  66          HD22      LEU  66   3.692   2.184  -7.456
  494   HD23  LEU  66          HD23      LEU  66   4.053   0.951  -6.247
  495    H    LYS  67           HN       LYS  67  -0.915   3.176  -8.142
  496    HA   LYS  67           HA       LYS  67  -3.261   3.046  -6.869
  497    HB2  LYS  67           HB2      LYS  67  -4.297   2.368  -9.028
  498    HB3  LYS  67           HB1      LYS  67  -3.138   3.694  -9.129
  499    HG2  LYS  67           HG2      LYS  67  -1.420   2.177  -9.872
  500    HG3  LYS  67           HG1      LYS  67  -2.511   0.808  -9.786
  501    HD2  LYS  67           HD2      LYS  67  -2.333   1.555 -12.082
  502    HD3  LYS  67           HD1      LYS  67  -3.938   1.997 -11.490
  503    HE2  LYS  67           HE2      LYS  67  -2.905   3.826 -12.764
  504    HE3  LYS  67           HE1      LYS  67  -3.188   4.274 -11.083
  505    HZ1  LYS  67           HZ1      LYS  67  -0.557   3.414 -12.214
  506    HZ2  LYS  67           HZ2      LYS  67  -0.813   3.847 -10.631
  507    HZ3  LYS  67           HZ3      LYS  67  -1.017   4.992 -11.861
  508    H    THR  68           HN       THR  68  -1.476   0.069  -7.637
  509    HA   THR  68           HA       THR  68  -3.701  -1.445  -6.542
  510    HB   THR  68           HB       THR  68  -2.719  -3.389  -7.569
  511    HG1  THR  68           HG1      THR  68  -1.344  -2.689  -9.535
  512   HG21  THR  68          HG21      THR  68  -3.493  -2.929  -9.885
  513   HG22  THR  68          HG22      THR  68  -3.520  -1.206  -9.477
  514   HG23  THR  68          HG23      THR  68  -4.584  -2.334  -8.631
  515    H    VAL  69           HN       VAL  69  -2.902  -3.539  -5.507
  516    HA   VAL  69           HA       VAL  69  -1.032  -2.804  -3.457
  517    HB   VAL  69           HB       VAL  69  -1.950  -5.580  -4.115
  518   HG11  VAL  69          HG11      VAL  69  -0.172  -5.255  -2.566
  519   HG12  VAL  69          HG12      VAL  69  -1.637  -5.882  -1.713
  520   HG13  VAL  69          HG13      VAL  69  -1.172  -4.165  -1.617
  521   HG21  VAL  69          HG21      VAL  69  -3.833  -5.270  -2.582
  522   HG22  VAL  69          HG22      VAL  69  -3.955  -4.212  -3.988
  523   HG23  VAL  69          HG23      VAL  69  -3.428  -3.559  -2.435
  524    H    GLY  70           HN       GLY  70  -0.988  -4.818  -6.297
  525    HA2  GLY  70           HA2      GLY  70   1.573  -5.907  -5.953
  526    HA3  GLY  70           HA1      GLY  70   0.673  -5.814  -7.459
  527    H    ASP  71           HN       ASP  71   0.459  -2.899  -7.366
  528    HA   ASP  71           HA       ASP  71   2.908  -2.310  -8.697
  529    HB2  ASP  71           HB2      ASP  71   0.526  -1.195  -8.884
  530    HB3  ASP  71           HB1      ASP  71   1.185  -0.239  -7.545
  531    H    ALA  72           HN       ALA  72   1.484  -1.581  -5.590
  532    HA   ALA  72           HA       ALA  72   3.567   0.053  -4.529
  533    HB1  ALA  72           HB1      ALA  72   1.669  -1.813  -3.113
  534    HB2  ALA  72           HB2      ALA  72   1.344  -0.124  -3.507
  535    HB3  ALA  72           HB3      ALA  72   2.621  -0.533  -2.362
  536    H    THR  73           HN       THR  73   2.835  -3.344  -4.276
  537    HA   THR  73           HA       THR  73   5.068  -4.089  -2.801
  538    HB   THR  73           HB       THR  73   3.451  -5.781  -4.741
  539    HG1  THR  73           HG1      THR  73   2.062  -4.900  -3.233
  540   HG21  THR  73          HG21      THR  73   4.072  -7.639  -3.303
  541   HG22  THR  73          HG22      THR  73   5.021  -6.557  -2.289
  542   HG23  THR  73          HG23      THR  73   5.528  -6.877  -3.958
  543    H    LYS  74           HN       LYS  74   4.783  -3.275  -6.145
  544    HA   LYS  74           HA       LYS  74   7.025  -4.729  -7.129
  545    HB2  LYS  74           HB2      LYS  74   5.008  -3.362  -8.295
  546    HB3  LYS  74           HB1      LYS  74   6.261  -2.136  -8.353
  547    HG2  LYS  74           HG2      LYS  74   6.292  -3.295 -10.416
  548    HG3  LYS  74           HG1      LYS  74   7.717  -3.812  -9.509
  549    HD2  LYS  74           HD2      LYS  74   6.629  -5.738 -10.538
  550    HD3  LYS  74           HD1      LYS  74   6.504  -5.816  -8.775
  551    HE2  LYS  74           HE2      LYS  74   4.222  -4.900  -8.907
  552    HE3  LYS  74           HE1      LYS  74   4.343  -4.875 -10.662
  553    HZ1  LYS  74           HZ1      LYS  74   3.149  -6.793  -9.811
  554    HZ2  LYS  74           HZ2      LYS  74   4.518  -7.317  -8.976
  555    HZ3  LYS  74           HZ3      LYS  74   4.516  -7.253 -10.674
  556    H    TYR  75           HN       TYR  75   6.450  -1.312  -6.277
  557    HA   TYR  75           HA       TYR  75   9.123  -0.514  -6.477
  558    HB2  TYR  75           HB2      TYR  75   7.392   1.105  -6.725
  559    HB3  TYR  75           HB1      TYR  75   6.659   0.649  -5.194
  560    HD1  TYR  75           HD1      TYR  75  10.004   1.788  -6.372
  561    HD2  TYR  75           HD2      TYR  75   6.899   2.232  -3.515
  562    HE1  TYR  75           HE1      TYR  75  11.242   3.578  -5.334
  563    HE2  TYR  75           HE2      TYR  75   8.144   4.046  -2.441
  564    HH   TYR  75           HH       TYR  75  10.932   5.470  -3.944
  565    H    ILE  76           HN       ILE  76   7.090  -1.465  -3.787
  566    HA   ILE  76           HA       ILE  76   8.902  -0.841  -1.786
  567    HB   ILE  76           HB       ILE  76   6.508  -2.703  -1.736
  568   HG12  ILE  76          HG12      ILE  76   6.866   0.125  -0.717
  569   HG13  ILE  76          HG11      ILE  76   6.068  -0.318  -2.220
  570   HG21  ILE  76          HG21      ILE  76   6.579  -2.436   0.724
  571   HG22  ILE  76          HG22      ILE  76   8.194  -1.726   0.582
  572   HG23  ILE  76          HG23      ILE  76   7.892  -3.383   0.058
  573   HD11  ILE  76          HD11      ILE  76   4.466   0.175  -0.481
  574   HD12  ILE  76          HD12      ILE  76   5.161  -1.085   0.547
  575   HD13  ILE  76          HD13      ILE  76   4.358  -1.517  -0.966
  576    H    LEU  77           HN       LEU  77   8.215  -4.020  -3.351
  577    HA   LEU  77           HA       LEU  77   9.929  -5.492  -1.641
  578    HB2  LEU  77           HB2      LEU  77   8.018  -6.370  -3.026
  579    HB3  LEU  77           HB1      LEU  77   9.084  -6.355  -4.415
  580    HG   LEU  77           HG       LEU  77   9.462  -8.020  -1.909
  581   HD11  LEU  77          HD11      LEU  77   7.513  -8.707  -3.170
  582   HD12  LEU  77          HD12      LEU  77   8.797  -9.909  -3.330
  583   HD13  LEU  77          HD13      LEU  77   8.469  -8.783  -4.650
  584   HD21  LEU  77          HD21      LEU  77  10.903  -8.190  -4.570
  585   HD22  LEU  77          HD22      LEU  77  11.130  -9.280  -3.201
  586   HD23  LEU  77          HD23      LEU  77  11.596  -7.586  -3.067
  587    H    ASP  78           HN       ASP  78  10.278  -4.272  -4.981
  588    HA   ASP  78           HA       ASP  78  12.822  -5.360  -5.474
  589    HB2  ASP  78           HB2      ASP  78  11.434  -4.577  -7.291
  590    HB3  ASP  78           HB1      ASP  78  11.475  -2.935  -6.666
  591    H    HIS  79           HN       HIS  79  11.831  -2.515  -3.856
  592    HA   HIS  79           HA       HIS  79  14.571  -1.558  -3.687
  593    HB2  HIS  79           HB2      HIS  79  11.945  -0.178  -3.383
  594    HB3  HIS  79           HB1      HIS  79  13.417   0.597  -2.838
  595    HD1  HIS  79           HD1      HIS  79  15.125   1.289  -4.740
  596    HD2  HIS  79           HD2      HIS  79  11.541  -0.287  -6.131
  597    HE1  HIS  79           HE1      HIS  79  15.049   1.821  -7.193
  598    HE2  HIS  79           HE2      HIS  79  12.801   1.033  -7.964
  599    H    GLN  80           HN       GLN  80  12.916  -3.589  -2.002
  600    HA   GLN  80           HA       GLN  80  12.552  -2.913   0.595
  601    HB2  GLN  80           HB2      GLN  80  13.456  -5.417  -0.691
  602    HB3  GLN  80           HB1      GLN  80  13.480  -5.310   1.063
  603    HG2  GLN  80           HG2      GLN  80  11.085  -4.707  -0.623
  604    HG3  GLN  80           HG1      GLN  80  11.428  -6.282   0.097
  605   HE21  GLN  80          HE21      GLN  80   9.315  -4.287   0.542
  606   HE22  GLN  80          HE22      GLN  80   9.306  -4.085   2.254
  607    H    ALA  81           HN       ALA  81  13.609  -2.920   2.466
  608    HA   ALA  81           HA       ALA  81  16.523  -2.939   2.427
  609    HB1  ALA  81           HB1      ALA  81  16.419  -1.271   4.258
  610    HB2  ALA  81           HB2      ALA  81  14.665  -1.214   4.096
  611    HB3  ALA  81           HB3      ALA  81  15.693  -0.647   2.779
  612    H28  SXH 101          H28B      SXH 101  -5.619   9.589  -2.697
  613   H28A  SXH 101          H28A      SXH 101  -6.160   9.406  -1.044
  614    H30  SXH 101          H30C      SXH 101  -3.966  12.872  -2.076
  615   H30A  SXH 101          H30A      SXH 101  -5.663  12.699  -2.539
  616   H30B  SXH 101          H30B      SXH 101  -4.449  11.689  -3.307
  617    H31  SXH 101          H31A      SXH 101  -4.728  12.503   0.315
  618   H31A  SXH 101          H31C      SXH 101  -6.383  12.315  -0.268
  619   H31B  SXH 101          H31B      SXH 101  -5.642  11.047   0.709
  620    H32  SXH 101          H32A      SXH 101  -2.790  11.059  -0.740
  621   HO33  SXH 101          H33A      SXH 101  -3.810   8.598  -0.382
  622   HN36  SXH 101          H36A      SXH 101  -2.512  11.023  -3.101
  623    H37  SXH 101          H37A      SXH 101  -1.258   9.880  -4.649
  624   H37A  SXH 101          H37B      SXH 101  -1.833   8.321  -4.028
  625    H38  SXH 101          H38A      SXH 101  -3.567  10.317  -5.530
  626   H38A  SXH 101          H38B      SXH 101  -2.544   9.155  -6.323
  627   HN41  SXH 101          H41A      SXH 101  -3.340   7.415  -3.778
  628    H42  SXH 101          H42A      SXH 101  -5.811   6.578  -3.627
  629   H42A  SXH 101          H42B      SXH 101  -5.340   5.937  -5.196
  630    H43  SXH 101          H43A      SXH 101  -4.943   4.223  -3.536
  631   H43A  SXH 101          H43B      SXH 101  -4.064   5.420  -2.559
  632    H2   SXH 101           H2A      SXH 101  -0.972   3.583  -2.375
  633    H2A  SXH 101           H2B      SXH 101  -0.609   2.810  -3.894
  634    H3   SXH 101           H3A      SXH 101  -1.338   0.693  -3.203
  635    H3A  SXH 101           H3B      SXH 101  -2.059   1.342  -1.724
  636    H4   SXH 101           H4B      SXH 101   0.111   0.163  -1.369
  637    H4A  SXH 101           H4A      SXH 101   0.889   1.416  -2.334
  638    H5   SXH 101           H5A      SXH 101  -0.583   1.797   0.280
  639    H5A  SXH 101           H5B      SXH 101   0.093   3.106  -0.703
  640    H6   SXH 101           H6C      SXH 101   1.632   0.809   0.500
  641    H6A  SXH 101           H6A      SXH 101   1.607   2.463   1.110
  642    H6B  SXH 101           H6B      SXH 101   2.316   2.115  -0.467
  Start of MODEL   20
    1    H1   ALA   1           HT1      ALA   1  13.888  -9.600   4.511
    2    H2   ALA   1           HT2      ALA   1  13.421  -8.868   5.969
    3    H3   ALA   1           HT3      ALA   1  14.833  -8.336   5.148
    4    HA   ALA   1           HA       ALA   1  12.971  -6.836   4.816
    5    HB1  ALA   1           HB1      ALA   1  14.659  -7.060   3.066
    6    HB2  ALA   1           HB2      ALA   1  13.051  -6.819   2.375
    7    HB3  ALA   1           HB3      ALA   1  13.776  -8.427   2.381
    8    H    ALA   2           HN       ALA   2  11.043  -6.704   3.194
    9    HA   ALA   2           HA       ALA   2   9.234  -8.858   3.925
   10    HB1  ALA   2           HB1      ALA   2   8.466  -6.552   4.251
   11    HB2  ALA   2           HB2      ALA   2   7.458  -7.410   3.084
   12    HB3  ALA   2           HB3      ALA   2   8.660  -6.248   2.524
   13    H    THR   3           HN       THR   3   7.635  -9.490   2.070
   14    HA   THR   3           HA       THR   3   9.196  -9.952  -0.365
   15    HB   THR   3           HB       THR   3   8.026 -12.111  -0.552
   16    HG1  THR   3           HG1      THR   3   6.969 -12.423   1.899
   17   HG21  THR   3          HG21      THR   3   9.054 -13.335   1.323
   18   HG22  THR   3          HG22      THR   3   9.302 -11.816   2.182
   19   HG23  THR   3          HG23      THR   3  10.166 -12.131   0.676
   20    H    GLN   4           HN       GLN   4   7.131 -10.920  -1.891
   21    HA   GLN   4           HA       GLN   4   5.531  -8.668  -2.403
   22    HB2  GLN   4           HB2      GLN   4   6.103 -10.705  -3.935
   23    HB3  GLN   4           HB1      GLN   4   4.779 -11.516  -3.125
   24    HG2  GLN   4           HG2      GLN   4   4.510  -8.953  -4.698
   25    HG3  GLN   4           HG1      GLN   4   4.197 -10.560  -5.337
   26   HE21  GLN   4          HE21      GLN   4   2.812 -11.533  -2.981
   27   HE22  GLN   4          HE22      GLN   4   1.314 -10.675  -2.883
   28    H    GLU   5           HN       GLU   5   4.823 -11.762  -0.906
   29    HA   GLU   5           HA       GLU   5   2.131 -11.253  -0.228
   30    HB2  GLU   5           HB2      GLU   5   4.077 -13.226   0.942
   31    HB3  GLU   5           HB1      GLU   5   2.324 -13.282   1.108
   32    HG2  GLU   5           HG2      GLU   5   2.035 -13.681  -1.209
   33    HG3  GLU   5           HG1      GLU   5   3.739 -13.358  -1.534
   34    H    GLU   6           HN       GLU   6   5.141 -10.837   1.499
   35    HA   GLU   6           HA       GLU   6   3.916 -10.240   3.987
   36    HB2  GLU   6           HB2      GLU   6   6.661 -10.135   2.926
   37    HB3  GLU   6           HB1      GLU   6   6.325  -9.120   4.326
   38    HG2  GLU   6           HG2      GLU   6   7.299 -11.299   4.839
   39    HG3  GLU   6           HG1      GLU   6   5.744 -11.042   5.623
   40    H    ILE   7           HN       ILE   7   5.228  -8.104   1.361
   41    HA   ILE   7           HA       ILE   7   4.605  -5.696   2.616
   42    HB   ILE   7           HB       ILE   7   4.494  -6.419  -0.326
   43   HG12  ILE   7          HG12      ILE   7   6.662  -5.022   1.218
   44   HG13  ILE   7          HG11      ILE   7   6.650  -6.756   0.910
   45   HG21  ILE   7          HG21      ILE   7   3.242  -4.355   0.137
   46   HG22  ILE   7          HG22      ILE   7   4.732  -4.006  -0.740
   47   HG23  ILE   7          HG23      ILE   7   4.637  -3.697   0.994
   48   HD11  ILE   7          HD11      ILE   7   6.587  -6.280  -1.498
   49   HD12  ILE   7          HD12      ILE   7   8.034  -5.695  -0.718
   50   HD13  ILE   7          HD13      ILE   7   6.739  -4.562  -1.141
   51    H    VAL   8           HN       VAL   8   2.711  -7.699   0.438
   52    HA   VAL   8           HA       VAL   8   0.344  -6.262   0.267
   53    HB   VAL   8           HB       VAL   8   0.719  -9.277   0.358
   54   HG11  VAL   8          HG11      VAL   8  -1.516  -9.468  -0.633
   55   HG12  VAL   8          HG12      VAL   8  -1.744  -7.725  -0.466
   56   HG13  VAL   8          HG13      VAL   8  -1.602  -8.737   0.971
   57   HG21  VAL   8          HG21      VAL   8   0.364  -9.068  -2.063
   58   HG22  VAL   8          HG22      VAL   8   1.788  -8.199  -1.494
   59   HG23  VAL   8          HG23      VAL   8   0.314  -7.316  -1.881
   60    H    ALA   9           HN       ALA   9   1.021  -8.808   2.663
   61    HA   ALA   9           HA       ALA   9  -1.355  -8.447   4.119
   62    HB1  ALA   9           HB1      ALA   9  -0.017 -10.489   4.130
   63    HB2  ALA   9           HB2      ALA   9  -0.332  -9.901   5.768
   64    HB3  ALA   9           HB3      ALA   9   1.251  -9.654   5.021
   65    H    GLY  10           HN       GLY  10   1.697  -6.786   4.247
   66    HA2  GLY  10           HA2      GLY  10   1.364  -5.707   6.869
   67    HA3  GLY  10           HA1      GLY  10   2.576  -5.245   5.672
   68    H    LEU  11           HN       LEU  11   0.911  -4.634   3.548
   69    HA   LEU  11           HA       LEU  11  -0.018  -2.008   4.189
   70    HB2  LEU  11           HB2      LEU  11  -0.808  -3.728   1.827
   71    HB3  LEU  11           HB1      LEU  11  -0.943  -1.988   1.943
   72    HG   LEU  11           HG       LEU  11   1.607  -3.576   1.755
   73   HD11  LEU  11          HD11      LEU  11   0.251  -1.744  -0.212
   74   HD12  LEU  11          HD12      LEU  11   0.373  -3.498  -0.328
   75   HD13  LEU  11          HD13      LEU  11   1.827  -2.505  -0.430
   76   HD21  LEU  11          HD21      LEU  11   1.181  -0.595   1.887
   77   HD22  LEU  11          HD22      LEU  11   2.718  -1.405   1.581
   78   HD23  LEU  11          HD23      LEU  11   1.916  -1.598   3.138
   79    H    ALA  12           HN       ALA  12  -1.555  -5.088   3.567
   80    HA   ALA  12           HA       ALA  12  -4.190  -4.320   3.733
   81    HB1  ALA  12           HB1      ALA  12  -3.452  -6.480   2.921
   82    HB2  ALA  12           HB2      ALA  12  -4.736  -6.588   4.130
   83    HB3  ALA  12           HB3      ALA  12  -3.065  -6.963   4.582
   84    H    GLU  13           HN       GLU  13  -2.098  -5.489   6.410
   85    HA   GLU  13           HA       GLU  13  -4.140  -5.397   8.323
   86    HB2  GLU  13           HB2      GLU  13  -2.382  -5.406  10.057
   87    HB3  GLU  13           HB1      GLU  13  -2.078  -6.602   8.806
   88    HG2  GLU  13           HG2      GLU  13  -0.410  -5.240   7.815
   89    HG3  GLU  13           HG1      GLU  13  -0.797  -3.891   8.881
   90    H    ILE  14           HN       ILE  14  -2.306  -2.898   6.963
   91    HA   ILE  14           HA       ILE  14  -3.107  -0.914   8.916
   92    HB   ILE  14           HB       ILE  14  -2.018  -0.488   6.101
   93   HG12  ILE  14          HG12      ILE  14  -0.463  -0.488   8.689
   94   HG13  ILE  14          HG11      ILE  14  -0.608  -1.916   7.671
   95   HG21  ILE  14          HG21      ILE  14  -2.056   1.277   8.573
   96   HG22  ILE  14          HG22      ILE  14  -3.101   1.474   7.171
   97   HG23  ILE  14          HG23      ILE  14  -1.358   1.708   7.008
   98   HD11  ILE  14          HD11      ILE  14   1.474  -0.740   7.278
   99   HD12  ILE  14          HD12      ILE  14   0.574   0.719   6.824
  100   HD13  ILE  14          HD13      ILE  14   0.434  -0.759   5.858
  101    H    VAL  15           HN       VAL  15  -3.935  -1.599   5.512
  102    HA   VAL  15           HA       VAL  15  -5.975   0.178   5.041
  103    HB   VAL  15           HB       VAL  15  -5.902  -2.669   4.011
  104   HG11  VAL  15          HG11      VAL  15  -7.087  -0.163   2.831
  105   HG12  VAL  15          HG12      VAL  15  -7.985  -1.514   3.522
  106   HG13  VAL  15          HG13      VAL  15  -7.043  -1.744   2.053
  107   HG21  VAL  15          HG21      VAL  15  -4.593  -0.223   2.850
  108   HG22  VAL  15          HG22      VAL  15  -4.604  -1.884   2.192
  109   HG23  VAL  15          HG23      VAL  15  -3.773  -1.540   3.697
  110    H    ASN  16           HN       ASN  16  -6.131  -3.013   6.508
  111    HA   ASN  16           HA       ASN  16  -8.863  -3.453   6.785
  112    HB2  ASN  16           HB2      ASN  16  -6.566  -4.224   8.528
  113    HB3  ASN  16           HB1      ASN  16  -8.194  -4.551   9.067
  114   HD21  ASN  16          HD21      ASN  16  -6.735  -4.848   5.838
  115   HD22  ASN  16          HD22      ASN  16  -6.991  -6.542   5.740
  116    H    GLU  17           HN       GLU  17  -6.810  -1.344   8.657
  117    HA   GLU  17           HA       GLU  17  -8.679  -1.012  10.811
  118    HB2  GLU  17           HB2      GLU  17  -6.220   0.587  10.110
  119    HB3  GLU  17           HB1      GLU  17  -7.063   0.586  11.649
  120    HG2  GLU  17           HG2      GLU  17  -5.763  -1.864  10.496
  121    HG3  GLU  17           HG1      GLU  17  -4.909  -0.720  11.519
  122    H    ILE  18           HN       ILE  18  -7.603   0.881   7.996
  123    HA   ILE  18           HA       ILE  18  -9.285   3.119   8.888
  124    HB   ILE  18           HB       ILE  18  -7.594   3.177   6.423
  125   HG12  ILE  18          HG12      ILE  18  -6.562   3.802   9.193
  126   HG13  ILE  18          HG11      ILE  18  -6.188   2.300   8.330
  127   HG21  ILE  18          HG21      ILE  18  -7.347   5.538   7.152
  128   HG22  ILE  18          HG22      ILE  18  -8.453   5.208   8.489
  129   HG23  ILE  18          HG23      ILE  18  -9.018   5.083   6.814
  130   HD11  ILE  18          HD11      ILE  18  -4.398   3.954   8.123
  131   HD12  ILE  18          HD12      ILE  18  -5.564   5.085   7.407
  132   HD13  ILE  18          HD13      ILE  18  -5.155   3.616   6.562
  133    H    ALA  19           HN       ALA  19  -8.687   1.363   5.755
  134    HA   ALA  19           HA       ALA  19 -11.152   2.459   4.659
  135    HB1  ALA  19           HB1      ALA  19  -9.260   0.435   3.456
  136    HB2  ALA  19           HB2      ALA  19  -9.233   2.177   3.159
  137    HB3  ALA  19           HB3      ALA  19 -10.606   1.207   2.627
  138    H    GLY  20           HN       GLY  20 -10.018  -0.471   6.050
  139    HA2  GLY  20           HA2      GLY  20 -11.343  -2.086   7.029
  140    HA3  GLY  20           HA1      GLY  20 -12.742  -1.398   6.220
  141    H    ILE  21           HN       ILE  21  -9.974  -1.994   4.212
  142    HA   ILE  21           HA       ILE  21 -11.410  -4.031   2.810
  143    HB   ILE  21           HB       ILE  21  -8.588  -3.021   2.458
  144   HG12  ILE  21          HG12      ILE  21 -10.113  -1.229   2.077
  145   HG13  ILE  21          HG11      ILE  21  -9.651  -1.842   0.491
  146   HG21  ILE  21          HG21      ILE  21  -8.984  -5.290   1.590
  147   HG22  ILE  21          HG22      ILE  21  -8.632  -4.143   0.323
  148   HG23  ILE  21          HG23      ILE  21 -10.309  -4.676   0.598
  149   HD11  ILE  21          HD11      ILE  21 -11.708  -3.127   0.404
  150   HD12  ILE  21          HD12      ILE  21 -12.025  -1.393   0.577
  151   HD13  ILE  21          HD13      ILE  21 -12.179  -2.476   1.970
  152    HA   PRO  22           HA       PRO  22  -9.612  -6.949   5.825
  153    HB2  PRO  22           HB2      PRO  22 -10.658  -8.974   3.938
  154    HB3  PRO  22           HB1      PRO  22 -10.966  -8.782   5.667
  155    HG2  PRO  22           HG2      PRO  22 -12.803  -8.189   3.872
  156    HG3  PRO  22           HG1      PRO  22 -12.610  -7.194   5.331
  157    HD2  PRO  22           HD2      PRO  22 -11.699  -6.649   2.526
  158    HD3  PRO  22           HD1      PRO  22 -12.401  -5.533   3.718
  159    H    VAL  23           HN       VAL  23  -8.017  -8.624   5.846
  160    HA   VAL  23           HA       VAL  23  -5.927  -8.115   3.975
  161    HB   VAL  23           HB       VAL  23  -4.620  -9.878   5.144
  162   HG11  VAL  23          HG11      VAL  23  -6.040  -7.993   7.016
  163   HG12  VAL  23          HG12      VAL  23  -4.600  -7.634   6.062
  164   HG13  VAL  23          HG13      VAL  23  -4.526  -8.832   7.353
  165   HG21  VAL  23          HG21      VAL  23  -5.589 -11.006   7.115
  166   HG22  VAL  23          HG22      VAL  23  -6.404 -11.444   5.609
  167   HG23  VAL  23          HG23      VAL  23  -7.157 -10.299   6.710
  168    H    GLU  24           HN       GLU  24  -8.558 -10.035   3.834
  169    HA   GLU  24           HA       GLU  24  -7.529 -12.271   2.341
  170    HB2  GLU  24           HB2      GLU  24 -10.362 -11.330   2.696
  171    HB3  GLU  24           HB1      GLU  24  -9.824 -12.926   2.193
  172    HG2  GLU  24           HG2      GLU  24  -8.885 -13.321   4.382
  173    HG3  GLU  24           HG1      GLU  24  -9.342 -11.694   4.887
  174    H    ASP  25           HN       ASP  25  -9.048  -9.140   1.746
  175    HA   ASP  25           HA       ASP  25  -9.600  -9.895  -0.980
  176    HB2  ASP  25           HB2      ASP  25 -11.254  -8.649   0.469
  177    HB3  ASP  25           HB1      ASP  25 -10.187  -7.253   0.338
  178    H    VAL  26           HN       VAL  26  -7.464  -7.737   0.857
  179    HA   VAL  26           HA       VAL  26  -6.258  -6.396  -1.262
  180    HB   VAL  26           HB       VAL  26  -5.035  -7.304   1.371
  181   HG11  VAL  26          HG11      VAL  26  -3.405  -5.493   1.053
  182   HG12  VAL  26          HG12      VAL  26  -4.056  -5.192  -0.563
  183   HG13  VAL  26          HG13      VAL  26  -3.269  -6.724  -0.201
  184   HG21  VAL  26          HG21      VAL  26  -6.985  -5.897   1.698
  185   HG22  VAL  26          HG22      VAL  26  -6.315  -4.687   0.605
  186   HG23  VAL  26          HG23      VAL  26  -5.517  -5.027   2.142
  187    H    LYS  27           HN       LYS  27  -5.851  -7.695  -2.934
  188    HA   LYS  27           HA       LYS  27  -3.603  -9.555  -2.676
  189    HB2  LYS  27           HB2      LYS  27  -5.947  -9.680  -4.614
  190    HB3  LYS  27           HB1      LYS  27  -4.527 -10.714  -4.711
  191    HG2  LYS  27           HG2      LYS  27  -6.475 -10.628  -2.405
  192    HG3  LYS  27           HG1      LYS  27  -6.433 -11.860  -3.672
  193    HD2  LYS  27           HD2      LYS  27  -4.227 -12.562  -2.975
  194    HD3  LYS  27           HD1      LYS  27  -4.127 -11.246  -1.813
  195    HE2  LYS  27           HE2      LYS  27  -4.623 -13.334  -0.699
  196    HE3  LYS  27           HE1      LYS  27  -5.968 -12.211  -0.547
  197    HZ1  LYS  27           HZ1      LYS  27  -6.592 -14.518  -1.028
  198    HZ2  LYS  27           HZ2      LYS  27  -5.880 -14.380  -2.578
  199    HZ3  LYS  27           HZ3      LYS  27  -7.199 -13.435  -2.164
  200    H    LEU  28           HN       LEU  28  -2.383  -9.578  -4.887
  201    HA   LEU  28           HA       LEU  28  -1.448  -6.900  -4.995
  202    HB2  LEU  28           HB2      LEU  28   0.389  -7.723  -6.129
  203    HB3  LEU  28           HB1      LEU  28  -0.175  -9.089  -5.198
  204    HG   LEU  28           HG       LEU  28  -1.374  -9.729  -7.433
  205   HD11  LEU  28          HD11      LEU  28  -0.782  -7.718  -8.647
  206   HD12  LEU  28          HD12      LEU  28  -0.015  -9.115  -9.412
  207   HD13  LEU  28          HD13      LEU  28   0.928  -8.027  -8.383
  208   HD21  LEU  28          HD21      LEU  28   1.588 -10.088  -6.963
  209   HD22  LEU  28          HD22      LEU  28   0.595 -11.081  -8.030
  210   HD23  LEU  28          HD23      LEU  28   0.299 -11.085  -6.291
  211    H    ASP  29           HN       ASP  29  -3.692  -8.604  -6.868
  212    HA   ASP  29           HA       ASP  29  -3.431  -7.104  -9.322
  213    HB2  ASP  29           HB2      ASP  29  -5.366  -9.141  -8.288
  214    HB3  ASP  29           HB1      ASP  29  -5.524  -8.408  -9.884
  215    H    LYS  30           HN       LYS  30  -4.592  -6.336  -6.348
  216    HA   LYS  30           HA       LYS  30  -7.154  -5.454  -7.292
  217    HB2  LYS  30           HB2      LYS  30  -6.109  -5.451  -4.482
  218    HB3  LYS  30           HB1      LYS  30  -7.752  -5.196  -5.001
  219    HG2  LYS  30           HG2      LYS  30  -6.189  -7.675  -4.935
  220    HG3  LYS  30           HG1      LYS  30  -7.687  -7.311  -4.092
  221    HD2  LYS  30           HD2      LYS  30  -8.659  -7.101  -6.499
  222    HD3  LYS  30           HD1      LYS  30  -7.243  -8.050  -6.954
  223    HE2  LYS  30           HE2      LYS  30  -9.091  -9.532  -6.558
  224    HE3  LYS  30           HE1      LYS  30  -7.896  -9.742  -5.276
  225    HZ1  LYS  30           HZ1      LYS  30  -9.261  -8.527  -3.760
  226    HZ2  LYS  30           HZ2      LYS  30 -10.341  -9.551  -4.596
  227    HZ3  LYS  30           HZ3      LYS  30 -10.198  -7.936  -5.021
  228    H    SER  31           HN       SER  31  -7.110  -3.641  -8.055
  229    HA   SER  31           HA       SER  31  -5.462  -1.453  -7.303
  230    HB2  SER  31           HB2      SER  31  -8.223  -1.339  -8.555
  231    HB3  SER  31           HB1      SER  31  -6.951  -0.121  -8.658
  232    HG   SER  31           HG       SER  31  -6.284  -1.113 -10.343
  233    H    PHE  32           HN       PHE  32  -5.541  -1.032  -5.174
  234    HA   PHE  32           HA       PHE  32  -7.368  -1.284  -3.239
  235    HB2  PHE  32           HB2      PHE  32  -5.473   0.956  -3.677
  236    HB3  PHE  32           HB1      PHE  32  -6.571   1.019  -2.303
  237    HD1  PHE  32           HD1      PHE  32  -6.482  -0.814  -0.616
  238    HD2  PHE  32           HD2      PHE  32  -3.498  -0.338  -3.629
  239    HE1  PHE  32           HE1      PHE  32  -4.972  -2.154   0.697
  240    HE2  PHE  32           HE2      PHE  32  -1.956  -1.668  -2.327
  241    HZ   PHE  32           HZ       PHE  32  -2.663  -2.608  -0.130
  242    H    THR  33           HN       THR  33  -7.292   1.900  -4.950
  243    HA   THR  33           HA       THR  33  -9.801   2.755  -3.983
  244    HB   THR  33           HB       THR  33  -8.292   3.965  -6.278
  245    HG1  THR  33           HG1      THR  33  -6.567   3.557  -5.051
  246   HG21  THR  33          HG21      THR  33  -9.424   5.032  -3.708
  247   HG22  THR  33          HG22      THR  33 -10.203   5.175  -5.304
  248   HG23  THR  33          HG23      THR  33  -8.656   5.990  -4.969
  249    H    ASP  34           HN       ASP  34 -10.170   0.296  -5.427
  250    HA   ASP  34           HA       ASP  34 -12.069   1.035  -7.473
  251    HB2  ASP  34           HB2      ASP  34 -10.016   1.140  -8.799
  252    HB3  ASP  34           HB1      ASP  34  -9.537  -0.454  -8.253
  253    H    ASP  35           HN       ASP  35 -10.049  -1.769  -6.784
  254    HA   ASP  35           HA       ASP  35 -12.158  -3.707  -7.134
  255    HB2  ASP  35           HB2      ASP  35  -9.707  -4.003  -7.615
  256    HB3  ASP  35           HB1      ASP  35  -9.408  -4.138  -5.908
  257    H    LEU  36           HN       LEU  36 -10.225  -2.558  -4.549
  258    HA   LEU  36           HA       LEU  36 -11.388  -4.247  -2.545
  259    HB2  LEU  36           HB2      LEU  36  -9.467  -1.948  -2.364
  260    HB3  LEU  36           HB1      LEU  36  -9.812  -3.090  -1.086
  261    HG   LEU  36           HG       LEU  36  -8.456  -3.672  -3.722
  262   HD11  LEU  36          HD11      LEU  36  -6.538  -4.232  -2.354
  263   HD12  LEU  36          HD12      LEU  36  -7.431  -3.766  -0.906
  264   HD13  LEU  36          HD13      LEU  36  -7.026  -2.555  -2.122
  265   HD21  LEU  36          HD21      LEU  36  -9.862  -5.514  -3.080
  266   HD22  LEU  36          HD22      LEU  36  -9.132  -5.525  -1.472
  267   HD23  LEU  36          HD23      LEU  36  -8.159  -5.923  -2.890
  268    H    ASP  37           HN       ASP  37 -10.794  -0.903  -2.507
  269    HA   ASP  37           HA       ASP  37 -12.309   0.872  -2.670
  270    HB2  ASP  37           HB2      ASP  37 -14.419  -0.293  -2.567
  271    HB3  ASP  37           HB1      ASP  37 -14.174  -0.699  -0.880
  272    H    VAL  38           HN       VAL  38 -10.368   1.402  -1.908
  273    HA   VAL  38           HA       VAL  38 -10.265   1.946   0.935
  274    HB   VAL  38           HB       VAL  38  -8.214   1.237  -0.457
  275   HG11  VAL  38          HG11      VAL  38  -6.973   2.976  -1.620
  276   HG12  VAL  38          HG12      VAL  38  -8.344   4.067  -1.417
  277   HG13  VAL  38          HG13      VAL  38  -8.516   2.604  -2.386
  278   HG21  VAL  38          HG21      VAL  38  -7.989   3.761   1.155
  279   HG22  VAL  38          HG22      VAL  38  -6.648   2.698   0.726
  280   HG23  VAL  38          HG23      VAL  38  -7.942   2.111   1.772
  281    H    ASP  39           HN       ASP  39 -10.257   4.174   1.718
  282    HA   ASP  39           HA       ASP  39 -11.929   5.906   0.109
  283    HB2  ASP  39           HB2      ASP  39 -10.791   6.145   2.893
  284    HB3  ASP  39           HB1      ASP  39 -11.827   7.343   2.135
  285    H    SER  40           HN       SER  40  -8.940   5.289  -0.181
  286    HA   SER  40           HA       SER  40  -6.952   6.100  -0.299
  287    HB2  SER  40           HB2      SER  40  -6.623   8.088  -1.789
  288    HB3  SER  40           HB1      SER  40  -7.529   6.736  -2.458
  289    H    LEU  41           HN       LEU  41  -8.812   8.066   1.634
  290    HA   LEU  41           HA       LEU  41  -6.661   9.675   2.616
  291    HB2  LEU  41           HB2      LEU  41  -9.321   8.947   3.837
  292    HB3  LEU  41           HB1      LEU  41  -8.227  10.170   4.463
  293    HG   LEU  41           HG       LEU  41  -9.573  10.238   1.784
  294   HD11  LEU  41          HD11      LEU  41 -11.153  10.601   3.622
  295   HD12  LEU  41          HD12      LEU  41 -10.869  12.100   2.739
  296   HD13  LEU  41          HD13      LEU  41 -10.093  11.835   4.299
  297   HD21  LEU  41          HD21      LEU  41  -7.432  11.307   1.723
  298   HD22  LEU  41          HD22      LEU  41  -7.802  12.250   3.171
  299   HD23  LEU  41          HD23      LEU  41  -8.696  12.536   1.673
  300    H    SER  42           HN       SER  42  -7.976   6.579   3.073
  301    HA   SER  42           HA       SER  42  -6.825   5.726   5.447
  302    HB2  SER  42           HB2      SER  42  -7.042   4.180   2.896
  303    HB3  SER  42           HB1      SER  42  -7.212   3.529   4.511
  304    HG   SER  42           HG       SER  42  -9.160   5.155   4.497
  305    H    MET  43           HN       MET  43  -5.770   6.112   2.127
  306    HA   MET  43           HA       MET  43  -3.437   4.551   2.281
  307    HB2  MET  43           HB2      MET  43  -4.843   5.176   0.233
  308    HB3  MET  43           HB1      MET  43  -3.982   6.709   0.263
  309    HG2  MET  43           HG2      MET  43  -2.953   5.189  -1.281
  310    HG3  MET  43           HG1      MET  43  -1.870   5.505   0.083
  311    HE1  MET  43           HE1      MET  43  -4.336   1.644  -0.435
  312    HE2  MET  43           HE2      MET  43  -4.280   2.957  -1.617
  313    HE3  MET  43           HE3      MET  43  -5.070   3.205  -0.060
  314    H    VAL  44           HN       VAL  44  -4.236   7.827   3.034
  315    HA   VAL  44           HA       VAL  44  -1.715   8.957   2.788
  316    HB   VAL  44           HB       VAL  44  -3.888   9.718   4.777
  317   HG11  VAL  44          HG11      VAL  44  -1.659  11.383   3.620
  318   HG12  VAL  44          HG12      VAL  44  -1.779  10.799   5.279
  319   HG13  VAL  44          HG13      VAL  44  -2.945  11.976   4.671
  320   HG21  VAL  44          HG21      VAL  44  -3.514  10.634   1.912
  321   HG22  VAL  44          HG22      VAL  44  -4.674  11.321   3.034
  322   HG23  VAL  44          HG23      VAL  44  -4.814   9.641   2.523
  323    H    GLU  45           HN       GLU  45  -3.375   7.263   5.415
  324    HA   GLU  45           HA       GLU  45  -1.100   7.400   7.186
  325    HB2  GLU  45           HB2      GLU  45  -3.702   5.900   7.338
  326    HB3  GLU  45           HB1      GLU  45  -2.483   5.908   8.606
  327    HG2  GLU  45           HG2      GLU  45  -3.965   8.289   7.565
  328    HG3  GLU  45           HG1      GLU  45  -4.328   7.430   9.058
  329    H    VAL  46           HN       VAL  46  -2.671   5.081   5.060
  330    HA   VAL  46           HA       VAL  46  -1.446   2.784   5.929
  331    HB   VAL  46           HB       VAL  46  -2.484   3.393   3.123
  332   HG11  VAL  46          HG11      VAL  46  -2.500   0.989   2.726
  333   HG12  VAL  46          HG12      VAL  46  -1.701   0.717   4.268
  334   HG13  VAL  46          HG13      VAL  46  -0.841   1.564   2.965
  335   HG21  VAL  46          HG21      VAL  46  -3.627   1.796   5.409
  336   HG22  VAL  46          HG22      VAL  46  -4.328   1.909   3.803
  337   HG23  VAL  46          HG23      VAL  46  -4.218   3.353   4.817
  338    H    VAL  47           HN       VAL  47  -0.261   5.121   3.473
  339    HA   VAL  47           HA       VAL  47   1.968   3.370   2.910
  340    HB   VAL  47           HB       VAL  47   1.774   6.202   1.945
  341   HG11  VAL  47          HG11      VAL  47   2.974   5.271   0.037
  342   HG12  VAL  47          HG12      VAL  47   2.909   3.675   0.782
  343   HG13  VAL  47          HG13      VAL  47   3.822   4.969   1.554
  344   HG21  VAL  47          HG21      VAL  47  -0.384   5.211   1.467
  345   HG22  VAL  47          HG22      VAL  47   0.413   3.825   0.717
  346   HG23  VAL  47          HG23      VAL  47   0.555   5.425  -0.009
  347    H    VAL  48           HN       VAL  48   1.426   6.274   4.795
  348    HA   VAL  48           HA       VAL  48   4.182   6.671   5.275
  349    HB   VAL  48           HB       VAL  48   1.793   7.501   6.979
  350   HG11  VAL  48          HG11      VAL  48   4.668   8.420   7.146
  351   HG12  VAL  48          HG12      VAL  48   3.845   7.409   8.333
  352   HG13  VAL  48          HG13      VAL  48   3.316   9.072   8.073
  353   HG21  VAL  48          HG21      VAL  48   1.834   8.492   4.768
  354   HG22  VAL  48          HG22      VAL  48   3.501   9.003   5.013
  355   HG23  VAL  48          HG23      VAL  48   2.211   9.707   5.994
  356    H    ALA  49           HN       ALA  49   1.806   4.636   6.685
  357    HA   ALA  49           HA       ALA  49   3.411   3.682   8.849
  358    HB1  ALA  49           HB1      ALA  49   1.041   2.404   7.455
  359    HB2  ALA  49           HB2      ALA  49   0.957   3.458   8.860
  360    HB3  ALA  49           HB3      ALA  49   1.722   1.874   8.993
  361    H    ALA  50           HN       ALA  50   2.639   2.570   5.593
  362    HA   ALA  50           HA       ALA  50   4.168   0.268   5.498
  363    HB1  ALA  50           HB1      ALA  50   3.587   2.176   3.231
  364    HB2  ALA  50           HB2      ALA  50   2.538   0.869   3.778
  365    HB3  ALA  50           HB3      ALA  50   4.106   0.500   3.061
  366    H    GLU  51           HN       GLU  51   5.083   3.634   4.849
  367    HA   GLU  51           HA       GLU  51   7.631   3.408   3.832
  368    HB2  GLU  51           HB2      GLU  51   6.582   5.353   5.846
  369    HB3  GLU  51           HB1      GLU  51   8.080   5.547   4.986
  370    HG2  GLU  51           HG2      GLU  51   6.899   5.774   2.899
  371    HG3  GLU  51           HG1      GLU  51   5.366   5.475   3.724
  372    H    GLU  52           HN       GLU  52   6.426   3.473   7.067
  373    HA   GLU  52           HA       GLU  52   8.958   3.697   8.350
  374    HB2  GLU  52           HB2      GLU  52   6.520   4.394   9.071
  375    HB3  GLU  52           HB1      GLU  52   6.464   2.767   9.717
  376    HG2  GLU  52           HG2      GLU  52   8.382   4.955  10.494
  377    HG3  GLU  52           HG1      GLU  52   7.019   4.358  11.427
  378    H    ARG  53           HN       ARG  53   6.584   1.131   7.863
  379    HA   ARG  53           HA       ARG  53   8.082  -0.699   9.450
  380    HB2  ARG  53           HB2      ARG  53   6.374  -2.316   8.894
  381    HB3  ARG  53           HB1      ARG  53   5.687  -0.767   9.374
  382    HG2  ARG  53           HG2      ARG  53   4.978  -0.262   7.241
  383    HG3  ARG  53           HG1      ARG  53   6.000  -1.497   6.506
  384    HD2  ARG  53           HD2      ARG  53   3.637  -2.128   6.583
  385    HD3  ARG  53           HD1      ARG  53   4.691  -3.234   7.460
  386    HE   ARG  53           HE       ARG  53   3.357  -1.130   8.987
  387   HH11  ARG  53          HH11      ARG  53   3.693  -4.604   8.242
  388   HH12  ARG  53          HH12      ARG  53   2.463  -5.078   9.304
  389   HH21  ARG  53          HH21      ARG  53   1.661  -1.827  10.504
  390   HH22  ARG  53          HH22      ARG  53   1.331  -3.496  10.627
  391    H    PHE  54           HN       PHE  54   7.730  -0.075   6.026
  392    HA   PHE  54           HA       PHE  54   9.296  -2.430   5.465
  393    HB2  PHE  54           HB2      PHE  54   7.942  -0.471   3.612
  394    HB3  PHE  54           HB1      PHE  54   8.905  -1.843   3.085
  395    HD1  PHE  54           HD1      PHE  54   8.157  -4.135   4.310
  396    HD2  PHE  54           HD2      PHE  54   5.677  -0.762   3.606
  397    HE1  PHE  54           HE1      PHE  54   6.177  -5.582   4.400
  398    HE2  PHE  54           HE2      PHE  54   3.687  -2.208   3.690
  399    HZ   PHE  54           HZ       PHE  54   3.939  -4.607   4.223
  400    H    ASP  55           HN       ASP  55   9.858   0.740   6.237
  401    HA   ASP  55           HA       ASP  55  11.792   1.872   6.568
  402    HB2  ASP  55           HB2      ASP  55  12.812  -0.317   7.082
  403    HB3  ASP  55           HB1      ASP  55  13.122  -0.583   5.377
  404    H    VAL  56           HN       VAL  56  10.506   1.254   3.707
  405    HA   VAL  56           HA       VAL  56  12.753   2.183   2.104
  406    HB   VAL  56           HB       VAL  56  11.662   0.101   1.422
  407   HG11  VAL  56          HG11      VAL  56   9.250   1.786   0.878
  408   HG12  VAL  56          HG12      VAL  56   9.399   0.442   2.020
  409   HG13  VAL  56          HG13      VAL  56   9.501   0.151   0.276
  410   HG21  VAL  56          HG21      VAL  56  11.391   2.294  -0.620
  411   HG22  VAL  56          HG22      VAL  56  11.478   0.549  -0.942
  412   HG23  VAL  56          HG23      VAL  56  12.851   1.376  -0.225
  413    H    LYS  57           HN       LYS  57   9.591   3.090   3.011
  414    HA   LYS  57           HA       LYS  57   8.398   4.976   2.904
  415    HB2  LYS  57           HB2      LYS  57  10.250   6.106   3.886
  416    HB3  LYS  57           HB1      LYS  57  11.069   6.252   2.337
  417    HG2  LYS  57           HG2      LYS  57   9.412   7.804   1.551
  418    HG3  LYS  57           HG1      LYS  57   8.445   7.566   2.998
  419    HD2  LYS  57           HD2      LYS  57  11.237   8.713   2.998
  420    HD3  LYS  57           HD1      LYS  57   9.775   9.689   2.923
  421    HE2  LYS  57           HE2      LYS  57  10.357   9.701   5.216
  422    HE3  LYS  57           HE1      LYS  57   9.077   8.500   5.054
  423    HZ1  LYS  57           HZ1      LYS  57  11.931   7.651   5.051
  424    HZ2  LYS  57           HZ2      LYS  57  10.552   6.751   5.468
  425    HZ3  LYS  57           HZ3      LYS  57  11.081   7.965   6.456
  426    H    ILE  58           HN       ILE  58   6.858   5.031   1.456
  427    HA   ILE  58           HA       ILE  58   7.499   6.043  -1.221
  428    HB   ILE  58           HB       ILE  58   4.858   4.582  -0.571
  429   HG12  ILE  58          HG12      ILE  58   5.899   2.628  -1.889
  430   HG13  ILE  58          HG11      ILE  58   7.448   3.382  -1.502
  431   HG21  ILE  58          HG21      ILE  58   4.768   6.012  -2.468
  432   HG22  ILE  58          HG22      ILE  58   4.621   4.345  -2.927
  433   HG23  ILE  58          HG23      ILE  58   6.143   5.188  -3.194
  434   HD11  ILE  58          HD11      ILE  58   6.925   1.563   0.031
  435   HD12  ILE  58          HD12      ILE  58   5.448   2.403   0.516
  436   HD13  ILE  58          HD13      ILE  58   7.025   3.122   0.857
  437    HA   PRO  59           HA       PRO  59   5.179   9.388   0.734
  438    HB2  PRO  59           HB2      PRO  59   5.457  10.573  -1.966
  439    HB3  PRO  59           HB1      PRO  59   5.946  11.250  -0.406
  440    HG2  PRO  59           HG2      PRO  59   7.765  10.384  -2.169
  441    HG3  PRO  59           HG1      PRO  59   7.984  10.146  -0.424
  442    HD2  PRO  59           HD2      PRO  59   7.083   8.193  -2.501
  443    HD3  PRO  59           HD1      PRO  59   8.192   7.956  -1.132
  444    H    ASP  60           HN       ASP  60   2.919   9.648   0.610
  445    HA   ASP  60           HA       ASP  60   1.364   8.057  -1.038
  446    HB2  ASP  60           HB2      ASP  60  -0.604   9.338  -0.357
  447    HB3  ASP  60           HB1      ASP  60   0.451   9.165   1.017
  448    H    ASP  61           HN       ASP  61   2.763  11.109  -1.797
  449    HA   ASP  61           HA       ASP  61   1.221  11.571  -4.174
  450    HB2  ASP  61           HB2      ASP  61   3.863  12.731  -3.273
  451    HB3  ASP  61           HB1      ASP  61   3.121  13.149  -4.808
  452    H    ASP  62           HN       ASP  62   3.901   9.629  -3.424
  453    HA   ASP  62           HA       ASP  62   4.474   9.114  -6.260
  454    HB2  ASP  62           HB2      ASP  62   6.465   9.099  -4.707
  455    HB3  ASP  62           HB1      ASP  62   5.736   7.715  -3.885
  456    H    VAL  63           HN       VAL  63   3.006   7.727  -3.489
  457    HA   VAL  63           HA       VAL  63   2.575   5.147  -4.404
  458    HB   VAL  63           HB       VAL  63   2.115   6.324  -2.044
  459   HG11  VAL  63          HG11      VAL  63  -0.687   5.915  -3.088
  460   HG12  VAL  63          HG12      VAL  63   0.058   7.451  -2.648
  461   HG13  VAL  63          HG13      VAL  63  -0.240   6.248  -1.412
  462   HG21  VAL  63          HG21      VAL  63   2.540   4.019  -2.404
  463   HG22  VAL  63          HG22      VAL  63   0.913   3.780  -3.044
  464   HG23  VAL  63          HG23      VAL  63   1.142   4.200  -1.346
  465    H    LYS  64           HN       LYS  64   1.018   7.959  -5.365
  466    HA   LYS  64           HA       LYS  64  -1.258   6.991  -6.480
  467    HB2  LYS  64           HB2      LYS  64  -1.164   8.814  -8.161
  468    HB3  LYS  64           HB1      LYS  64  -0.662   9.361  -6.552
  469    HG2  LYS  64           HG2      LYS  64   1.622   9.357  -7.209
  470    HG3  LYS  64           HG1      LYS  64   1.212   8.658  -8.776
  471    HD2  LYS  64           HD2      LYS  64   1.613  11.065  -8.903
  472    HD3  LYS  64           HD1      LYS  64  -0.048  10.645  -9.363
  473    HE2  LYS  64           HE2      LYS  64  -0.808  11.346  -7.121
  474    HE3  LYS  64           HE1      LYS  64   0.856  11.740  -6.686
  475    HZ1  LYS  64           HZ1      LYS  64  -0.766  13.030  -8.807
  476    HZ2  LYS  64           HZ2      LYS  64   0.832  13.428  -8.436
  477    HZ3  LYS  64           HZ3      LYS  64  -0.400  13.685  -7.289
  478    H    ASN  65           HN       ASN  65   2.015   6.599  -7.506
  479    HA   ASN  65           HA       ASN  65   1.478   5.589 -10.134
  480    HB2  ASN  65           HB2      ASN  65   3.976   5.449  -8.428
  481    HB3  ASN  65           HB1      ASN  65   3.876   4.938 -10.101
  482   HD21  ASN  65          HD21      ASN  65   4.198   7.542  -7.948
  483   HD22  ASN  65          HD22      ASN  65   4.410   8.814  -9.085
  484    H    LEU  66           HN       LEU  66   0.976   4.394  -7.094
  485    HA   LEU  66           HA       LEU  66   1.558   1.632  -7.874
  486    HB2  LEU  66           HB2      LEU  66   1.309   2.754  -5.105
  487    HB3  LEU  66           HB1      LEU  66   1.770   1.129  -5.608
  488    HG   LEU  66           HG       LEU  66   3.354   3.631  -6.143
  489   HD11  LEU  66          HD11      LEU  66   3.329   3.156  -3.772
  490   HD12  LEU  66          HD12      LEU  66   4.924   2.802  -4.436
  491   HD13  LEU  66          HD13      LEU  66   3.806   1.486  -4.073
  492   HD21  LEU  66          HD21      LEU  66   4.080   0.739  -6.507
  493   HD22  LEU  66          HD22      LEU  66   5.169   2.109  -6.738
  494   HD23  LEU  66          HD23      LEU  66   3.758   1.913  -7.784
  495    H    LYS  67           HN       LYS  67  -0.735   3.148  -8.514
  496    HA   LYS  67           HA       LYS  67  -3.092   2.945  -7.359
  497    HB2  LYS  67           HB2      LYS  67  -4.056   2.178  -9.544
  498    HB3  LYS  67           HB1      LYS  67  -2.975   3.568  -9.618
  499    HG2  LYS  67           HG2      LYS  67  -1.174   2.192 -10.377
  500    HG3  LYS  67           HG1      LYS  67  -2.137   0.733 -10.219
  501    HD2  LYS  67           HD2      LYS  67  -2.006   1.452 -12.561
  502    HD3  LYS  67           HD1      LYS  67  -3.661   1.625 -11.976
  503    HE2  LYS  67           HE2      LYS  67  -3.395   3.982 -11.708
  504    HE3  LYS  67           HE1      LYS  67  -1.668   3.878 -12.034
  505    HZ1  LYS  67           HZ1      LYS  67  -2.137   3.253 -14.290
  506    HZ2  LYS  67           HZ2      LYS  67  -2.978   4.683 -13.924
  507    HZ3  LYS  67           HZ3      LYS  67  -3.805   3.234 -14.009
  508    H    THR  68           HN       THR  68  -1.270  -0.062  -7.951
  509    HA   THR  68           HA       THR  68  -3.572  -1.420  -6.798
  510    HB   THR  68           HB       THR  68  -2.774  -3.527  -7.735
  511    HG1  THR  68           HG1      THR  68  -1.262  -2.119  -9.651
  512   HG21  THR  68          HG21      THR  68  -3.570  -3.136 -10.033
  513   HG22  THR  68          HG22      THR  68  -3.419  -1.394  -9.744
  514   HG23  THR  68          HG23      THR  68  -4.566  -2.351  -8.804
  515    H    VAL  69           HN       VAL  69  -3.010  -3.420  -5.604
  516    HA   VAL  69           HA       VAL  69  -1.210  -2.838  -3.513
  517    HB   VAL  69           HB       VAL  69  -2.146  -5.571  -4.361
  518   HG11  VAL  69          HG11      VAL  69  -0.346  -5.459  -2.765
  519   HG12  VAL  69          HG12      VAL  69  -1.826  -6.088  -1.981
  520   HG13  VAL  69          HG13      VAL  69  -1.306  -4.407  -1.732
  521   HG21  VAL  69          HG21      VAL  69  -4.011  -5.277  -2.811
  522   HG22  VAL  69          HG22      VAL  69  -4.073  -4.121  -4.139
  523   HG23  VAL  69          HG23      VAL  69  -3.528  -3.600  -2.539
  524    H    GLY  70           HN       GLY  70  -0.938  -5.005  -6.278
  525    HA2  GLY  70           HA2      GLY  70   1.655  -5.945  -5.671
  526    HA3  GLY  70           HA1      GLY  70   0.814  -6.107  -7.205
  527    H    ASP  71           HN       ASP  71   0.492  -3.100  -7.223
  528    HA   ASP  71           HA       ASP  71   2.845  -2.492  -8.722
  529    HB2  ASP  71           HB2      ASP  71   0.389  -1.393  -8.672
  530    HB3  ASP  71           HB1      ASP  71   1.207  -0.378  -7.500
  531    H    ALA  72           HN       ALA  72   1.486  -1.466  -5.628
  532    HA   ALA  72           HA       ALA  72   3.608   0.080  -4.551
  533    HB1  ALA  72           HB1      ALA  72   1.733  -1.802  -3.156
  534    HB2  ALA  72           HB2      ALA  72   1.401  -0.114  -3.548
  535    HB3  ALA  72           HB3      ALA  72   2.685  -0.518  -2.410
  536    H    THR  73           HN       THR  73   2.813  -3.278  -4.163
  537    HA   THR  73           HA       THR  73   4.989  -4.047  -2.673
  538    HB   THR  73           HB       THR  73   3.338  -5.663  -4.624
  539    HG1  THR  73           HG1      THR  73   1.910  -4.877  -3.185
  540   HG21  THR  73          HG21      THR  73   5.372  -6.804  -3.840
  541   HG22  THR  73          HG22      THR  73   3.896  -7.535  -3.203
  542   HG23  THR  73          HG23      THR  73   4.875  -6.489  -2.176
  543    H    LYS  74           HN       LYS  74   4.736  -3.502  -6.124
  544    HA   LYS  74           HA       LYS  74   6.988  -5.049  -6.932
  545    HB2  LYS  74           HB2      LYS  74   4.970  -3.915  -8.274
  546    HB3  LYS  74           HB1      LYS  74   6.133  -2.608  -8.418
  547    HG2  LYS  74           HG2      LYS  74   6.391  -3.859 -10.368
  548    HG3  LYS  74           HG1      LYS  74   7.734  -4.367  -9.340
  549    HD2  LYS  74           HD2      LYS  74   6.699  -6.319 -10.364
  550    HD3  LYS  74           HD1      LYS  74   6.400  -6.317  -8.619
  551    HE2  LYS  74           HE2      LYS  74   4.180  -5.392  -8.972
  552    HE3  LYS  74           HE1      LYS  74   4.463  -5.318 -10.704
  553    HZ1  LYS  74           HZ1      LYS  74   3.133  -7.190 -10.093
  554    HZ2  LYS  74           HZ2      LYS  74   4.360  -7.818  -9.085
  555    HZ3  LYS  74           HZ3      LYS  74   4.592  -7.718 -10.748
  556    H    TYR  75           HN       TYR  75   6.353  -1.620  -6.222
  557    HA   TYR  75           HA       TYR  75   8.981  -0.731  -6.646
  558    HB2  TYR  75           HB2      TYR  75   7.091   0.753  -6.859
  559    HB3  TYR  75           HB1      TYR  75   6.591   0.427  -5.207
  560    HD1  TYR  75           HD1      TYR  75   9.726   1.571  -6.941
  561    HD2  TYR  75           HD2      TYR  75   6.972   2.118  -3.757
  562    HE1  TYR  75           HE1      TYR  75  10.973   3.514  -6.217
  563    HE2  TYR  75           HE2      TYR  75   8.220   4.069  -3.001
  564    HH   TYR  75           HH       TYR  75  10.543   5.618  -4.904
  565    H    ILE  76           HN       ILE  76   7.100  -1.575  -3.808
  566    HA   ILE  76           HA       ILE  76   8.988  -0.822  -1.911
  567    HB   ILE  76           HB       ILE  76   6.652  -2.744  -1.652
  568   HG12  ILE  76          HG12      ILE  76   6.950   0.172  -0.893
  569   HG13  ILE  76          HG11      ILE  76   6.129  -0.428  -2.323
  570   HG21  ILE  76          HG21      ILE  76   8.262  -1.422   0.554
  571   HG22  ILE  76          HG22      ILE  76   8.283  -3.133   0.144
  572   HG23  ILE  76          HG23      ILE  76   6.809  -2.399   0.767
  573   HD11  ILE  76          HD11      ILE  76   5.313  -0.936   0.530
  574   HD12  ILE  76          HD12      ILE  76   4.486  -1.541  -0.913
  575   HD13  ILE  76          HD13      ILE  76   4.575   0.197  -0.608
  576    H    LEU  77           HN       LEU  77   8.258  -4.071  -3.299
  577    HA   LEU  77           HA       LEU  77  10.006  -5.469  -1.641
  578    HB2  LEU  77           HB2      LEU  77   8.274  -6.632  -2.823
  579    HB3  LEU  77           HB1      LEU  77   8.933  -6.167  -4.376
  580    HG   LEU  77           HG       LEU  77  10.912  -7.600  -3.932
  581   HD11  LEU  77          HD11      LEU  77  10.905  -7.540  -1.531
  582   HD12  LEU  77          HD12      LEU  77  10.853  -9.201  -2.124
  583   HD13  LEU  77          HD13      LEU  77   9.390  -8.443  -1.493
  584   HD21  LEU  77          HD21      LEU  77   8.245  -8.991  -3.721
  585   HD22  LEU  77          HD22      LEU  77   9.757  -9.731  -4.241
  586   HD23  LEU  77          HD23      LEU  77   9.020  -8.456  -5.212
  587    H    ASP  78           HN       ASP  78  10.320  -4.096  -4.912
  588    HA   ASP  78           HA       ASP  78  12.874  -5.048  -5.640
  589    HB2  ASP  78           HB2      ASP  78  11.263  -4.042  -7.219
  590    HB3  ASP  78           HB1      ASP  78  11.483  -2.483  -6.447
  591    H    HIS  79           HN       HIS  79  11.823  -2.376  -3.751
  592    HA   HIS  79           HA       HIS  79  14.513  -1.300  -3.557
  593    HB2  HIS  79           HB2      HIS  79  11.820  -0.150  -3.042
  594    HB3  HIS  79           HB1      HIS  79  13.232   0.584  -2.304
  595    HD1  HIS  79           HD1      HIS  79  14.175   2.401  -3.657
  596    HD2  HIS  79           HD2      HIS  79  12.249  -0.421  -6.010
  597    HE1  HIS  79           HE1      HIS  79  14.317   3.271  -6.022
  598    HE2  HIS  79           HE2      HIS  79  13.602   1.255  -7.356
  599    H    GLN  80           HN       GLN  80  13.009  -3.607  -1.976
  600    HA   GLN  80           HA       GLN  80  12.916  -3.066   0.703
  601    HB2  GLN  80           HB2      GLN  80  13.715  -5.520  -0.789
  602    HB3  GLN  80           HB1      GLN  80  13.816  -5.538   0.954
  603    HG2  GLN  80           HG2      GLN  80  11.356  -5.009  -0.684
  604    HG3  GLN  80           HG1      GLN  80  11.769  -6.532   0.095
  605   HE21  GLN  80          HE21      GLN  80   9.501  -4.922   0.417
  606   HE22  GLN  80          HE22      GLN  80   9.410  -4.420   2.057
  607    H    ALA  81           HN       ALA  81  14.288  -2.441   2.174
  608    HA   ALA  81           HA       ALA  81  16.085  -1.934   3.360
  609    HB1  ALA  81           HB1      ALA  81  16.493  -4.366   3.371
  610    HB2  ALA  81           HB2      ALA  81  17.992  -3.439   3.424
  611    HB3  ALA  81           HB3      ALA  81  17.477  -4.193   1.917
  612    H28  SXH 101          H28B      SXH 101  -5.382   9.446  -2.466
  613   H28A  SXH 101          H28A      SXH 101  -5.999   9.718  -0.823
  614    H30  SXH 101          H30C      SXH 101  -3.959  12.817  -2.862
  615   H30A  SXH 101          H30A      SXH 101  -5.662  12.456  -3.165
  616   H30B  SXH 101          H30B      SXH 101  -4.415  11.347  -3.734
  617    H31  SXH 101          H31A      SXH 101  -4.474  12.999  -0.416
  618   H31A  SXH 101          H31C      SXH 101  -6.169  12.645  -0.776
  619   H31B  SXH 101          H31B      SXH 101  -5.289  11.656   0.390
  620    H32  SXH 101          H32A      SXH 101  -2.603  11.361  -1.201
  621   HO33  SXH 101          H33A      SXH 101  -3.488   9.012  -0.310
  622   HN36  SXH 101          H36A      SXH 101  -2.379  10.882  -3.458
  623    H37  SXH 101          H37A      SXH 101  -1.243   9.508  -4.834
  624   H37A  SXH 101          H37B      SXH 101  -1.929   8.051  -4.078
  625    H38  SXH 101          H38A      SXH 101  -3.598  10.113  -5.511
  626   H38A  SXH 101          H38B      SXH 101  -2.648   8.974  -6.435
  627   HN41  SXH 101          H41A      SXH 101  -3.437   7.247  -3.828
  628    H42  SXH 101          H42A      SXH 101  -5.924   6.407  -3.751
  629   H42A  SXH 101          H42B      SXH 101  -5.362   5.768  -5.284
  630    H43  SXH 101          H43A      SXH 101  -4.927   4.045  -3.702
  631   H43A  SXH 101          H43B      SXH 101  -4.218   5.255  -2.614
  632    H2   SXH 101           H2A      SXH 101  -0.975   3.439  -2.546
  633    H2A  SXH 101           H2B      SXH 101  -0.596   2.721  -4.091
  634    H3   SXH 101           H3A      SXH 101  -1.388   0.647  -3.547
  635    H3A  SXH 101           H3B      SXH 101  -2.165   1.196  -2.057
  636    H4   SXH 101           H4B      SXH 101  -0.062  -0.082  -1.716
  637    H4A  SXH 101           H4A      SXH 101   0.798   1.199  -2.556
  638    H5   SXH 101           H5A      SXH 101  -0.728   1.451   0.032
  639    H5A  SXH 101           H5B      SXH 101   0.064   2.787  -0.824
  640    H6   SXH 101           H6C      SXH 101   1.403   0.297   0.223
  641    H6A  SXH 101           H6A      SXH 101   1.478   1.896   0.961
  642    H6B  SXH 101           H6B      SXH 101   2.203   1.620  -0.622