*HEADER    BIOSYNTHETIC PROTEIN                    06-MAR-09   2KG8              
*TITLE     NMR SOLUTION STRUCTURES OF MALONYL ACP FROM THE                       
*TITLE    2 ACTINORHODIN POLYKETIDE SYNTHASE IN STREPTOMYCES COELICOLOR          
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ACTINORHODIN POLYKETIDE SYNTHASE ACYL CARRIER              
*COMPND   3 PROTEIN;                                                             
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 SYNONYM: ACP, ACTI ORF3;                                             
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: STREPTOMYCES COELICOLOR;                        
*SOURCE   3 ORGANISM_TAXID: 1902;                                                
*SOURCE   4 STRAIN: A3(2);                                                       
*SOURCE   5 GENE: SCO5089, SCBAC28G1.15;                                         
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
*SOURCE   9 EXPRESSION_SYSTEM_VARIANT: DE3;                                      
*SOURCE  10 EXPRESSION_SYSTEM_VECTOR: PET11C                                     
*KEYWDS    ACP, MALONYL, POLYKETIDE, ACTINORHODIN, ANTIBIOTIC                    
*KEYWDS   2 BIOSYNTHESIS, PHOSPHOPANTETHEINE, BIOSYNTHETIC PROTEIN               
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    M.P.CRUMP, S.E.EVANS, C.WILLIAMS, P.ELIZA                             
*REVDAT   1   14-APR-09 2KG8    0                                                


 ASSI {    2}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 53   and name HN  ))
      4.000     2.000     2.000 peak     2 spectrum    1 weight  0.10000E+01 volume  0.44322E-03 ppm1      0.789 ppm2      8.981 CV     1
 ASSI {    6}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 78   and name HN  ))
      4.000     2.000     2.000 peak     6 spectrum    1 weight  0.10000E+01 volume  0.15250E-02 ppm1      0.793 ppm2      8.263 CV     1
 ASSI {   10}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 56   and name HD% )
      3.300     1.400     1.400 peak    10 spectrum    1 weight  0.10000E+01 volume  0.48212E-03 ppm1      0.792 ppm2      7.441 CV     1
 ASSI {   12}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 53   and name HA  ))
      3.500     1.500     1.500 peak    12 spectrum    1 weight  0.10000E+01 volume  0.76383E-03 ppm1      0.796 ppm2      4.086 CV     1
 ASSI {   13}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 75   and name HA  ))
      3.200     1.200     1.200 peak    13 spectrum    1 weight  0.10000E+01 volume  0.12592E-02 ppm1      0.793 ppm2      3.904 CV     1
 ASSI {   14}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 78   and name HA  ))
      3.700     1.700     1.700 peak    14 spectrum    1 weight  0.10000E+01 volume  0.29037E-02 ppm1      0.794 ppm2      3.742 CV     1
 ASSI {   26}
   (  segid "    " and resid 38   and name HD1%)
   (  segid "    " and resid 30   and name HD% )
      3.700     1.700     1.700 peak    26 spectrum    1 weight  0.10000E+01 volume  0.97363E-03 ppm1      0.867 ppm2      7.308 CV     1
 ASSI {   28}
   (  segid "    " and resid 38   and name HD1%)
   (  segid "    " and resid 35   and name HD% )
      2.500     0.800     0.800 peak    28 spectrum    1 weight  0.10000E+01 volume  0.25313E-02 ppm1      0.867 ppm2      7.108 CV     1
 ASSI {   29}
   (  segid "    " and resid 38   and name HD1%)
   (  segid "    " and resid 40   and name HD% )
      2.800     1.000     1.000 peak    29 spectrum    1 weight  0.10000E+01 volume  0.28430E-02 ppm1      0.868 ppm2      6.962 CV     1
 ASSI {   30}
   (  segid "    " and resid 38   and name HD1%)
   (  segid "    " and resid 40   and name HE% )
      3.200     1.300     1.300 peak    30 spectrum    1 weight  0.10000E+01 volume  0.11518E-02 ppm1      0.866 ppm2      6.761 CV     1
 ASSI {   46}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 53   and name HB1 ))
      3.400     1.500     1.500 peak    46 spectrum    1 weight  0.10000E+01 volume  0.39127E-03 ppm1      0.796 ppm2      2.510 CV     1
 ASSI {   47}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 74   and name HB1 ))
      3.300     1.400     1.400 peak    47 spectrum    1 weight  0.10000E+01 volume  0.48650E-03 ppm1      0.799 ppm2      2.406 CV     1
 ASSI {   51}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 53   and name HG1 ))
      3.200     1.300     1.300 peak    51 spectrum    1 weight  0.10000E+01 volume  0.11840E-02 ppm1      0.795 ppm2      2.768 CV     1
 ASSI {   52}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 5    and name HD1%)
      2.800     0.900     0.900 peak    52 spectrum    1 weight  0.10000E+01 volume  0.23306E-02 ppm1      0.791 ppm2      0.603 CV     1
 ASSI {   56}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 74   and name HD2%)
      2.300     0.700     0.700 peak    56 spectrum    1 weight  0.10000E+01 volume  0.72599E-02 ppm1      0.794 ppm2      1.059 CV     1
 OR {   56}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 74   and name HD1%)
 ASSI {   74}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 49   and name HB% )
      3.100     1.200     1.200 peak    74 spectrum    1 weight  0.10000E+01 volume  0.19019E-02 ppm1      0.793 ppm2      1.525 CV     1
 ASSI {   75}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 52   and name HB2 ))
      2.600     0.900     0.900 peak    75 spectrum    1 weight  0.10000E+01 volume  0.24930E-02 ppm1      0.793 ppm2      1.457 CV     1
 ASSI {   76}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 5    and name HB2 ))
      3.000     1.100     1.100 peak    76 spectrum    1 weight  0.10000E+01 volume  0.89307E-03 ppm1      0.794 ppm2      1.382 CV     1
 ASSI {   77}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 78   and name HG12))
      2.200     0.600     0.600 peak    77 spectrum    1 weight  0.10000E+01 volume  0.60216E-02 ppm1      0.794 ppm2      1.282 CV     1
 ASSI {   79}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 82   and name HG  ))
      3.100     1.200     1.200 peak    79 spectrum    1 weight  0.10000E+01 volume  0.70386E-03 ppm1      0.794 ppm2      1.831 CV     1
 ASSI {   80}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 78   and name HG11))
      2.100     0.600     0.600 peak    80 spectrum    1 weight  0.10000E+01 volume  0.85042E-02 ppm1      0.793 ppm2      1.715 CV     1
 ASSI {   84}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 78   and name HB  ))
      2.700     0.900     0.900 peak    84 spectrum    1 weight  0.10000E+01 volume  0.30675E-02 ppm1      0.794 ppm2      1.934 CV     1
 ASSI {   87}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 52   and name HB1 ))
      2.900     1.000     1.000 peak    87 spectrum    1 weight  0.10000E+01 volume  0.14299E-02 ppm1      0.794 ppm2      2.205 CV     1
 ASSI {   96}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      3.500     1.500     1.500 peak    96 spectrum    1 weight  0.10000E+01 volume  0.72259E-03 ppm1      4.271 ppm2      8.237 CV     1
 ASSI {   97}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HN  ))
      2.600     0.800     0.800 peak    97 spectrum    1 weight  0.10000E+01 volume  0.43194E-02 ppm1      4.269 ppm2      8.919 CV     1
 ASSI {   98}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
      3.300     1.400     1.400 peak    98 spectrum    1 weight  0.10000E+01 volume  0.10709E-02 ppm1      4.271 ppm2      7.765 CV     1
 ASSI {   99}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      2.700     0.900     0.900 peak    99 spectrum    1 weight  0.10000E+01 volume  0.41994E-02 ppm1      4.473 ppm2      8.473 CV     1
 ASSI {  100}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      2.400     0.700     0.700 peak   100 spectrum    1 weight  0.10000E+01 volume  0.71624E-02 ppm1      4.474 ppm2      8.246 CV     1
 ASSI {  101}
   (( segid "    " and resid 3    and name HB  ))
   (( segid "    " and resid 3    and name HA  ))
      2.200     0.600     0.600 peak   101 spectrum    1 weight  0.10000E+01 volume  0.12200E-01 ppm1      4.180 ppm2      4.383 CV     1
 ASSI {  102}
   (( segid "    " and resid 24   and name HB  ))
   (( segid "    " and resid 24   and name HN  ))
      2.800     1.000     1.000 peak   102 spectrum    1 weight  0.10000E+01 volume  0.39133E-02 ppm1      4.224 ppm2      8.133 CV     1
 ASSI {  103}
   (( segid "    " and resid 3    and name HB  ))
   (( segid "    " and resid 4    and name HN  ))
      3.600     1.700     1.700 peak   103 spectrum    1 weight  0.10000E+01 volume  0.17006E-02 ppm1      4.183 ppm2      8.145 CV     1
 ASSI {  105}
   (( segid "    " and resid 24   and name HB  ))
   (( segid "    " and resid 25   and name HN  ))
      3.400     1.500     1.500 peak   105 spectrum    1 weight  0.10000E+01 volume  0.21661E-02 ppm1      4.224 ppm2      8.602 CV     1
 ASSI {  106}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 23   and name HA1 ))
      4.200     2.200     1.800 peak   106 spectrum    1 weight  0.10000E+01 volume  0.72561E-03 ppm1      4.474 ppm2      4.052 CV     1
 OR {  106}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 23   and name HA2 ))
 ASSI {  107}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 43   and name HB2 ))
      2.800     1.000     1.000 peak   107 spectrum    1 weight  0.10000E+01 volume  0.39458E-02 ppm1      1.055 ppm2      1.847 CV     1
 OR {  107}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 43   and name HB1 ))
 ASSI {  108}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 43   and name HG  ))
      2.700     0.900     0.900 peak   108 spectrum    1 weight  0.10000E+01 volume  0.31449E-02 ppm1      1.055 ppm2      1.724 CV     1
 ASSI {  110}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 86   and name HN  ))
      3.200     1.300     1.300 peak   110 spectrum    1 weight  0.10000E+01 volume  0.16515E-02 ppm1      4.221 ppm2      7.969 CV     1
 ASSI {  112}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 3    and name HG2%)
      2.500     0.800     0.800 peak   112 spectrum    1 weight  0.10000E+01 volume  0.59064E-02 ppm1      4.385 ppm2      1.376 CV     1
 ASSI {  113}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 38   and name HG11))
      2.900     1.100     1.100 peak   113 spectrum    1 weight  0.10000E+01 volume  0.29025E-02 ppm1      4.376 ppm2      1.830 CV     1
 ASSI {  114}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HG  ))
      4.100     2.100     1.900 peak   114 spectrum    1 weight  0.10000E+01 volume  0.11414E-02 ppm1      4.384 ppm2      1.706 CV     1
 ASSI {  115}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HB1 ))
      2.300     0.700     0.700 peak   115 spectrum    1 weight  0.10000E+01 volume  0.61369E-02 ppm1      4.521 ppm2      1.572 CV     1
 OR {  115}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HG  ))
 ASSI {  116}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HB2 ))
      2.600     0.900     0.900 peak   116 spectrum    1 weight  0.10000E+01 volume  0.47575E-02 ppm1      4.520 ppm2      1.371 CV     1
 ASSI {  119}
   (( segid "    " and resid 21   and name HB  ))
   (( segid "    " and resid 21   and name HN  ))
      3.100     1.200     1.200 peak   119 spectrum    1 weight  0.10000E+01 volume  0.19284E-02 ppm1      4.365 ppm2      8.251 CV     1
 ASSI {  122}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 62   and name HN  ))
      3.300     1.300     1.300 peak   122 spectrum    1 weight  0.10000E+01 volume  0.25614E-02 ppm1      2.839 ppm2      8.836 CV     1
 ASSI {  124}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HA  ))
      2.500     0.800     0.800 peak   124 spectrum    1 weight  0.10000E+01 volume  0.66410E-02 ppm1      2.838 ppm2      4.725 CV     1
 OR {  124}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 22   and name HA  ))
 ASSI {  126}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 25   and name HB2 ))
      1.600     0.300     0.600 peak   126 spectrum    1 weight  0.10000E+01 volume  0.27248E-01 ppm1      2.871 ppm2      2.758 CV     1
 ASSI {  128}
   (( segid "    " and resid 25   and name HB2 ))
   (  segid "    " and resid 15   and name HG1%)
      4.600     2.600     1.400 peak   128 spectrum    1 weight  0.10000E+01 volume  0.30732E-03 ppm1      2.749 ppm2      1.058 CV     1
 ASSI {  129}
   (( segid "    " and resid 25   and name HB1 ))
   (  segid "    " and resid 15   and name HG1%)
      5.000     3.200     1.000 peak   129 spectrum    1 weight  0.10000E+01 volume  0.25364E-03 ppm1      2.877 ppm2      1.050 CV     1
 ASSI {  133}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 26   and name HN  ))
      4.000     2.000     2.000 peak   133 spectrum    1 weight  0.10000E+01 volume  0.88666E-03 ppm1      2.764 ppm2      8.466 CV     1
 ASSI {  134}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 46   and name HG1 ))
      2.200     0.600     0.600 peak   134 spectrum    1 weight  0.10000E+01 volume  0.60866E-02 ppm1      2.294 ppm2      2.842 CV     1
 ASSI {  135}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 46   and name HG2 ))
      2.600     0.900     0.900 peak   135 spectrum    1 weight  0.10000E+01 volume  0.48672E-02 ppm1      2.336 ppm2      2.747 CV     1
 ASSI {  136}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 46   and name HG2 ))
      2.600     0.800     0.800 peak   136 spectrum    1 weight  0.10000E+01 volume  0.54637E-02 ppm1      2.293 ppm2      2.749 CV     1
 ASSI {  138}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 15   and name HN  ))
      2.300     0.700     0.700 peak   138 spectrum    1 weight  0.10000E+01 volume  0.64813E-02 ppm1      2.270 ppm2      8.452 CV     1
 ASSI {  140}
   (( segid "    " and resid 43   and name HB1 ))
   (( segid "    " and resid 43   and name HA  ))
      2.900     1.100     1.100 peak   140 spectrum    1 weight  0.10000E+01 volume  0.36467E-02 ppm1      1.873 ppm2      4.272 CV     1
 ASSI {  141}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 43   and name HA  ))
      2.500     0.800     0.800 peak   141 spectrum    1 weight  0.10000E+01 volume  0.44148E-02 ppm1      1.827 ppm2      4.272 CV     1
 ASSI {  142}
   (( segid "    " and resid 43   and name HB1 ))
   (( segid "    " and resid 44   and name HN  ))
      2.500     2.500     3.500 peak   142 spectrum    1 weight  0.10000E+01 volume  0.19885E-02 ppm1      1.875 ppm2      8.155 CV     1
 ASSI {  143}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 44   and name HN  ))
      3.800     1.800     1.800 peak   143 spectrum    1 weight  0.10000E+01 volume  0.23078E-02 ppm1      1.827 ppm2      8.154 CV     1
 ASSI {  144}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 43   and name HN  ))
      2.500     0.800     0.800 peak   144 spectrum    1 weight  0.10000E+01 volume  0.30851E-02 ppm1      1.829 ppm2      7.774 CV     1
 ASSI {  145}
   (( segid "    " and resid 43   and name HB1 ))
   (( segid "    " and resid 43   and name HN  ))
      3.000     1.100     1.100 peak   145 spectrum    1 weight  0.10000E+01 volume  0.26634E-02 ppm1      1.876 ppm2      7.773 CV     1
 ASSI {  150}
   (( segid "    " and resid 37   and name HB1 ))
   (  segid "    " and resid 38   and name HG2%)
      3.400     1.500     1.500 peak   150 spectrum    1 weight  0.10000E+01 volume  0.76178E-03 ppm1      3.086 ppm2      1.057 CV     1
 ASSI {  151}
   (( segid "    " and resid 37   and name HB2 ))
   (  segid "    " and resid 38   and name HG2%)
      4.000     2.000     2.000 peak   151 spectrum    1 weight  0.10000E+01 volume  0.81489E-03 ppm1      2.999 ppm2      1.059 CV     1
 ASSI {  152}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 37   and name HA  ))
      3.100     1.200     1.200 peak   152 spectrum    1 weight  0.10000E+01 volume  0.27774E-02 ppm1      3.091 ppm2      4.809 CV     1
 ASSI {  153}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 37   and name HA  ))
      2.800     1.000     1.000 peak   153 spectrum    1 weight  0.10000E+01 volume  0.29429E-02 ppm1      2.996 ppm2      4.810 CV     1
 ASSI {  157}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 37   and name HN  ))
      2.800     1.000     1.000 peak   157 spectrum    1 weight  0.10000E+01 volume  0.28716E-02 ppm1      2.994 ppm2      7.563 CV     1
 ASSI {  163}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 45   and name HB1 ))
      3.500     1.500     1.500 peak   163 spectrum    1 weight  0.10000E+01 volume  0.22753E-02 ppm1      0.204 ppm2      1.623 CV     1
 ASSI {  165}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 45   and name HG  ))
      2.500     0.800     0.800 peak   165 spectrum    1 weight  0.10000E+01 volume  0.37634E-02 ppm1      0.203 ppm2      1.344 CV     1
 ASSI {  166}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 45   and name HA  ))
      2.500     0.800     0.800 peak   166 spectrum    1 weight  0.10000E+01 volume  0.26873E-02 ppm1      0.202 ppm2      3.881 CV     1
 ASSI {  169}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 8    and name HA  ))
      3.900     1.900     1.900 peak   169 spectrum    1 weight  0.10000E+01 volume  0.86588E-03 ppm1      3.234 ppm2      4.623 CV     1
 ASSI {  170}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 27   and name HA  ))
      3.100     1.200     1.200 peak   170 spectrum    1 weight  0.10000E+01 volume  0.91238E-03 ppm1      3.218 ppm2      4.300 CV     1
 ASSI {  171}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 11   and name HE  ))
      2.600     0.900     0.900 peak   171 spectrum    1 weight  0.10000E+01 volume  0.38767E-02 ppm1      3.191 ppm2      7.320 CV     1
 ASSI {  172}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 11   and name HN  ))
      5.400     3.600     0.600 peak   172 spectrum    1 weight  0.10000E+01 volume  0.32089E-03 ppm1      3.187 ppm2      8.835 CV     1
 ASSI {  173}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 11   and name HG1 ))
      2.700     0.900     0.900 peak   173 spectrum    1 weight  0.10000E+01 volume  0.41452E-02 ppm1      3.190 ppm2      1.402 CV     1
 ASSI {  174}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 11   and name HG2 ))
      2.500     0.800     0.800 peak   174 spectrum    1 weight  0.10000E+01 volume  0.33004E-02 ppm1      3.190 ppm2      1.160 CV     1
 ASSI {  175}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 11   and name HB1 ))
      3.000     1.100     1.100 peak   175 spectrum    1 weight  0.10000E+01 volume  0.25404E-02 ppm1      3.234 ppm2      2.055 CV     1
 OR {  175}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI {  176}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 11   and name HB2 ))
      3.100     1.200     1.200 peak   176 spectrum    1 weight  0.10000E+01 volume  0.17470E-02 ppm1      3.190 ppm2      2.051 CV     1
 OR {  176}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI {  178}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 76   and name HN  ))
      2.700     0.900     0.900 peak   178 spectrum    1 weight  0.10000E+01 volume  0.39722E-02 ppm1      2.714 ppm2      8.691 CV     1
 ASSI {  179}
   (( segid "    " and resid 76   and name HB1 ))
   (( segid "    " and resid 73   and name HA  ))
      2.900     1.000     1.000 peak   179 spectrum    1 weight  0.10000E+01 volume  0.16592E-02 ppm1      2.772 ppm2      4.241 CV     1
 ASSI {  180}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 73   and name HA  ))
      3.300     1.300     1.300 peak   180 spectrum    1 weight  0.10000E+01 volume  0.20379E-02 ppm1      2.713 ppm2      4.240 CV     1
 ASSI {  183}
   (( segid "    " and resid 73   and name HG2 ))
   (( segid "    " and resid 73   and name HN  ))
      3.000     1.100     1.100 peak   183 spectrum    1 weight  0.10000E+01 volume  0.16869E-02 ppm1      2.513 ppm2      7.835 CV     1
 ASSI {  185}
   (( segid "    " and resid 73   and name HG2 ))
   (( segid "    " and resid 73   and name HA  ))
      3.100     1.200     1.200 peak   185 spectrum    1 weight  0.10000E+01 volume  0.13538E-02 ppm1      2.504 ppm2      4.238 CV     1
 ASSI {  186}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 16   and name HG2 ))
      1.700     0.300     0.500 peak   186 spectrum    1 weight  0.10000E+01 volume  0.20966E-01 ppm1      2.618 ppm2      2.392 CV     1
 ASSI {  188}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 16   and name HB2 ))
      2.600     0.800     0.800 peak   188 spectrum    1 weight  0.10000E+01 volume  0.32850E-02 ppm1      2.619 ppm2      2.140 CV     1
 ASSI {  189}
   (( segid "    " and resid 73   and name HG1 ))
   (( segid "    " and resid 73   and name HG2 ))
      1.900     0.500     0.500 peak   189 spectrum    1 weight  0.10000E+01 volume  0.84061E-02 ppm1      2.634 ppm2      2.493 CV     1
 OR {  189}
   (( segid "    " and resid 73   and name HG1 ))
   (( segid "    " and resid 73   and name HB1 ))
 ASSI {  191}
   (( segid "    " and resid 73   and name HG2 ))
   (( segid "    " and resid 73   and name HB2 ))
      2.800     1.000     1.000 peak   191 spectrum    1 weight  0.10000E+01 volume  0.28084E-02 ppm1      2.507 ppm2      2.268 CV     1
 ASSI {  199}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HG1 ))
      3.200     1.300     1.300 peak   199 spectrum    1 weight  0.10000E+01 volume  0.32287E-02 ppm1      4.211 ppm2      2.624 CV     1
 ASSI {  200}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HN  ))
      2.800     0.900     0.900 peak   200 spectrum    1 weight  0.10000E+01 volume  0.26728E-02 ppm1      4.236 ppm2      7.835 CV     1
 ASSI {  211}
   (( segid "    " and resid 35   and name HZ  ))
   (  segid "    " and resid 14   and name HD1%)
      4.100     2.100     1.900 peak   211 spectrum    1 weight  0.10000E+01 volume  0.36665E-03 ppm1      6.875 ppm2      0.765 CV     1
 ASSI {  212}
   (( segid "    " and resid 35   and name HZ  ))
   (  segid "    " and resid 45   and name HD2%)
      5.300     3.500     0.700 peak   212 spectrum    1 weight  0.10000E+01 volume  0.15032E-03 ppm1      6.875 ppm2      0.353 CV     1
 ASSI {  215}
   (( segid "    " and resid 35   and name HZ  ))
   (( segid "    " and resid 71   and name HG2 ))
      6.000     4.900     0.000 peak   215 spectrum    1 weight  0.10000E+01 volume  0.12033E-03 ppm1      6.889 ppm2      1.307 CV     1
 ASSI {  217}
   (( segid "    " and resid 35   and name HZ  ))
   (  segid "    " and resid 68   and name HG2%)
      4.900     3.000     1.100 peak   217 spectrum    1 weight  0.10000E+01 volume  0.21861E-03 ppm1      6.884 ppm2      1.231 CV     1
 ASSI {  222}
   (( segid "    " and resid 35   and name HZ  ))
   (( segid "    " and resid 74   and name HB1 ))
      4.800     2.900     1.200 peak   222 spectrum    1 weight  0.10000E+01 volume  0.20013E-03 ppm1      6.870 ppm2      2.442 CV     1
 ASSI {  223}
   (( segid "    " and resid 35   and name HZ  ))
   (( segid "    " and resid 74   and name HB2 ))
      4.800     2.900     1.200 peak   223 spectrum    1 weight  0.10000E+01 volume  0.93143E-04 ppm1      6.890 ppm2      1.699 CV     1
 ASSI {  226}
   (( segid "    " and resid 30   and name HZ  ))
   (  segid "    " and resid 31   and name HD1%)
      4.100     2.100     1.900 peak   226 spectrum    1 weight  0.10000E+01 volume  0.32568E-03 ppm1      7.339 ppm2      0.459 CV     1
 ASSI {  232}
   (( segid "    " and resid 30   and name HZ  ))
   (( segid "    " and resid 10   and name HG  ))
      4.500     2.500     1.500 peak   232 spectrum    1 weight  0.10000E+01 volume  0.23431E-03 ppm1      7.338 ppm2      1.883 CV     1
 ASSI {  240}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 26   and name HD1%)
      4.600     2.700     1.400 peak   240 spectrum    1 weight  0.10000E+01 volume  0.40429E-03 ppm1      7.214 ppm2      0.692 CV     1
 ASSI {  250}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 30   and name HB2 ))
      5.000     3.100     1.000 peak   250 spectrum    1 weight  0.10000E+01 volume  0.32421E-03 ppm1      7.205 ppm2      3.004 CV     1
 ASSI {  253}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 7    and name HB  ))
      4.400     2.400     1.600 peak   253 spectrum    1 weight  0.10000E+01 volume  0.30313E-03 ppm1      7.209 ppm2      4.318 CV     1
 ASSI {  254}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 71   and name HA  ))
      5.000     3.100     1.000 peak   254 spectrum    1 weight  0.10000E+01 volume  0.27819E-03 ppm1      7.208 ppm2      4.231 CV     1
 ASSI {  260}
   (  segid "    " and resid 35   and name HD% )
   (  segid "    " and resid 45   and name HD1%)
      3.800     1.800     1.800 peak   260 spectrum    1 weight  0.10000E+01 volume  0.44695E-03 ppm1      7.108 ppm2      0.215 CV     1
 OR {  260}
   (  segid "    " and resid 35   and name HD% )
   (  segid "    " and resid 45   and name HD1%)
 ASSI {  270}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 45   and name HG  ))
      5.200     3.400     0.800 peak   270 spectrum    1 weight  0.10000E+01 volume  0.47963E-03 ppm1      6.967 ppm2      1.336 CV     1
 ASSI {  271}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 68   and name HG2%)
      5.400     3.700     0.600 peak   271 spectrum    1 weight  0.10000E+01 volume  0.39822E-03 ppm1      6.964 ppm2      1.245 CV     1
 ASSI {  275}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 14   and name HD1%)
      3.700     1.700     1.700 peak   275 spectrum    1 weight  0.10000E+01 volume  0.95644E-03 ppm1      6.964 ppm2      0.761 CV     1
 ASSI {  276}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 74   and name HB2 ))
      3.200     1.300     1.300 peak   276 spectrum    1 weight  0.10000E+01 volume  0.71528E-03 ppm1      6.919 ppm2      1.701 CV     1
 ASSI {  283}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 38   and name HG11))
      2.400     0.700     0.700 peak   283 spectrum    1 weight  0.10000E+01 volume  0.25958E-02 ppm1      6.965 ppm2      1.827 CV     1
 ASSI {  287}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 74   and name HB2 ))
      5.000     3.200     1.000 peak   287 spectrum    1 weight  0.10000E+01 volume  0.16979E-03 ppm1      7.108 ppm2      1.705 CV     1
 ASSI {  290}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 71   and name HG1 ))
      3.600     1.600     1.600 peak   290 spectrum    1 weight  0.10000E+01 volume  0.29419E-03 ppm1      6.920 ppm2      2.185 CV     1
 ASSI {  291}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 40   and name HB2 ))
      2.500     0.800     0.800 peak   291 spectrum    1 weight  0.10000E+01 volume  0.35465E-02 ppm1      6.966 ppm2      2.769 CV     1
 ASSI {  292}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 38   and name HB  ))
      3.800     1.800     1.800 peak   292 spectrum    1 weight  0.10000E+01 volume  0.65377E-03 ppm1      6.965 ppm2      2.460 CV     1
 ASSI {  294}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 40   and name HB1 ))
      2.400     0.700     0.700 peak   294 spectrum    1 weight  0.10000E+01 volume  0.29625E-02 ppm1      6.966 ppm2      3.011 CV     1
 ASSI {  295}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 35   and name HB2 ))
      4.400     2.400     1.600 peak   295 spectrum    1 weight  0.10000E+01 volume  0.64267E-03 ppm1      6.921 ppm2      3.056 CV     1
 ASSI {  299}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 35   and name HB2 ))
      2.400     0.700     0.700 peak   299 spectrum    1 weight  0.10000E+01 volume  0.29376E-02 ppm1      7.109 ppm2      3.071 CV     1
 ASSI {  300}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 35   and name HB1 ))
      4.400     2.400     1.600 peak   300 spectrum    1 weight  0.10000E+01 volume  0.40107E-03 ppm1      6.966 ppm2      3.589 CV     1
 ASSI {  303}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 35   and name HB1 ))
      4.500     2.500     1.500 peak   303 spectrum    1 weight  0.10000E+01 volume  0.47419E-03 ppm1      6.923 ppm2      3.585 CV     1
 ASSI {  309}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 35   and name HA  ))
      4.300     2.400     1.700 peak   309 spectrum    1 weight  0.10000E+01 volume  0.68257E-03 ppm1      6.923 ppm2      4.367 CV     1
 ASSI {  310}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 71   and name HA  ))
      3.300     1.400     1.400 peak   310 spectrum    1 weight  0.10000E+01 volume  0.15130E-02 ppm1      6.921 ppm2      4.229 CV     1
 ASSI {  314}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 69   and name HA  ))
      5.300     3.600     0.700 peak   314 spectrum    1 weight  0.10000E+01 volume  0.20368E-03 ppm1      6.930 ppm2      5.272 CV     1
 ASSI {  323}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 70   and name HN  ))
      4.300     2.300     1.700 peak   323 spectrum    1 weight  0.10000E+01 volume  0.23624E-03 ppm1      7.101 ppm2      7.470 CV     1
 ASSI {  327}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 70   and name HN  ))
      4.200     2.200     1.800 peak   327 spectrum    1 weight  0.10000E+01 volume  0.22948E-03 ppm1      6.924 ppm2      7.471 CV     1
 ASSI {  332}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 71   and name HG2 ))
      2.700     0.900     0.900 peak   332 spectrum    1 weight  0.10000E+01 volume  0.10282E-02 ppm1      7.299 ppm2      1.292 CV     1
 ASSI {  341}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 5    and name HD2%)
      3.800     1.800     1.800 peak   341 spectrum    1 weight  0.10000E+01 volume  0.76120E-03 ppm1      7.435 ppm2      0.623 CV     1
 OR {  341}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 5    and name HD2%)
 OR {  341}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 5    and name HD1%)
 OR {  341}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 5    and name HD1%)
 ASSI {  342}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 55   and name HB2 ))
      3.700     1.700     1.700 peak   342 spectrum    1 weight  0.10000E+01 volume  0.12491E-02 ppm1      7.437 ppm2      1.616 CV     1
 ASSI {  344}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 52   and name HB1 ))
      3.600     1.600     1.600 peak   344 spectrum    1 weight  0.10000E+01 volume  0.38957E-03 ppm1      7.438 ppm2      2.212 CV     1
 ASSI {  347}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 71   and name HG1 ))
      3.300     1.300     1.300 peak   347 spectrum    1 weight  0.10000E+01 volume  0.24480E-02 ppm1      7.301 ppm2      2.179 CV     1
 ASSI {  348}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 71   and name HB2 ))
      3.100     1.200     1.200 peak   348 spectrum    1 weight  0.10000E+01 volume  0.12152E-02 ppm1      7.301 ppm2      2.015 CV     1
 ASSI {  353}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 30   and name HB2 ))
      2.500     0.800     0.800 peak   353 spectrum    1 weight  0.10000E+01 volume  0.32440E-02 ppm1      7.301 ppm2      3.009 CV     1
 ASSI {  359}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 56   and name HA  ))
      2.900     1.100     1.100 peak   359 spectrum    1 weight  0.10000E+01 volume  0.30387E-02 ppm1      7.437 ppm2      4.675 CV     1
 ASSI {  360}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 29   and name HA  ))
      4.300     2.300     1.700 peak   360 spectrum    1 weight  0.10000E+01 volume  0.48623E-03 ppm1      7.297 ppm2      4.848 CV     1
 ASSI {  370}
   (  segid "    " and resid 56   and name HE% )
   (  segid "    " and resid 5    and name HD2%)
      2.600     0.900     0.900 peak   370 spectrum    1 weight  0.10000E+01 volume  0.36119E-02 ppm1      6.807 ppm2      0.631 CV     1
 OR {  370}
   (  segid "    " and resid 56   and name HE% )
   (  segid "    " and resid 5    and name HD2%)
 OR {  370}
   (  segid "    " and resid 56   and name HE% )
   (  segid "    " and resid 5    and name HD1%)
 ASSI {  371}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 45   and name HD2%)
      5.500     3.800     0.500 peak   371 spectrum    1 weight  0.10000E+01 volume  0.35449E-03 ppm1      6.752 ppm2      0.353 CV     1
 ASSI {  372}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 45   and name HD1%)
      4.100     2.100     1.900 peak   372 spectrum    1 weight  0.10000E+01 volume  0.49923E-03 ppm1      6.752 ppm2      0.219 CV     1
 ASSI {  373}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 14   and name HD1%)
      2.800     1.000     1.000 peak   373 spectrum    1 weight  0.10000E+01 volume  0.18385E-02 ppm1      6.755 ppm2      0.769 CV     1
 OR {  373}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 14   and name HD1%)
 ASSI {  376}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 55   and name HB2 ))
      3.600     1.600     1.600 peak   376 spectrum    1 weight  0.10000E+01 volume  0.13358E-02 ppm1      6.807 ppm2      1.627 CV     1
 ASSI {  378}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 38   and name HG11))
      3.900     1.900     1.900 peak   378 spectrum    1 weight  0.10000E+01 volume  0.79661E-03 ppm1      6.756 ppm2      1.834 CV     1
 ASSI {  380}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 55   and name HB1 ))
      3.300     1.400     1.400 peak   380 spectrum    1 weight  0.10000E+01 volume  0.92085E-03 ppm1      6.808 ppm2      1.902 CV     1
 ASSI {  381}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 55   and name HD2 ))
      2.900     1.000     1.000 peak   381 spectrum    1 weight  0.10000E+01 volume  0.18573E-02 ppm1      6.807 ppm2      3.018 CV     1
 ASSI {  382}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 40   and name HB1 ))
      4.400     2.500     1.600 peak   382 spectrum    1 weight  0.10000E+01 volume  0.58265E-03 ppm1      6.757 ppm2      3.014 CV     1
 ASSI {  383}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 56   and name HB2 ))
      4.100     2.100     1.900 peak   383 spectrum    1 weight  0.10000E+01 volume  0.11457E-02 ppm1      6.809 ppm2      2.781 CV     1
 ASSI {  387}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 45   and name HA  ))
      2.700     0.900     0.900 peak   387 spectrum    1 weight  0.10000E+01 volume  0.17252E-02 ppm1      6.756 ppm2      3.885 CV     1
 ASSI {  388}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 56   and name HB1 ))
      4.100     2.100     1.900 peak   388 spectrum    1 weight  0.10000E+01 volume  0.10816E-02 ppm1      6.808 ppm2      3.448 CV     1
 ASSI {  391}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 52   and name HA  ))
      3.100     1.200     1.200 peak   391 spectrum    1 weight  0.10000E+01 volume  0.16146E-02 ppm1      6.809 ppm2      4.311 CV     1
 ASSI {  392}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 40   and name HA  ))
      4.500     2.500     1.500 peak   392 spectrum    1 weight  0.10000E+01 volume  0.37934E-03 ppm1      6.748 ppm2      4.582 CV     1
 ASSI {  393}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 56   and name HA  ))
      4.200     2.200     1.800 peak   393 spectrum    1 weight  0.10000E+01 volume  0.79334E-03 ppm1      6.808 ppm2      4.676 CV     1
 ASSI {  394}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 5    and name HA  ))
      4.600     2.600     1.400 peak   394 spectrum    1 weight  0.10000E+01 volume  0.52465E-03 ppm1      6.806 ppm2      4.535 CV     1
 ASSI {  397}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 56   and name HN  ))
      4.300     2.300     1.700 peak   397 spectrum    1 weight  0.10000E+01 volume  0.81502E-03 ppm1      6.809 ppm2      8.119 CV     1
 ASSI {  399}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 17   and name HB1 ))
      4.600     2.600     1.400 peak   399 spectrum    1 weight  0.10000E+01 volume  0.41244E-03 ppm1      6.758 ppm2      4.129 CV     1
 ASSI {  401}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 53   and name HG2 ))
      3.400     1.500     1.500 peak   401 spectrum    1 weight  0.10000E+01 volume  0.74049E-03 ppm1      0.798 ppm2      2.316 CV     1
 ASSI {  402}
   (  segid "    " and resid 38   and name HD1%)
   (  segid "    " and resid 26   and name HD1%)
      2.400     0.700     0.700 peak   402 spectrum    1 weight  0.10000E+01 volume  0.39386E-02 ppm1      0.869 ppm2      0.682 CV     1
 ASSI {  403}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 60   and name HG12))
      2.000     0.500     0.500 peak   403 spectrum    1 weight  0.10000E+01 volume  0.14163E-01 ppm1      0.839 ppm2      1.100 CV     1
 ASSI {  406}
   (  segid "    " and resid 60   and name HD1%)
   (  segid "    " and resid 81   and name HB% )
      2.900     1.000     1.000 peak   406 spectrum    1 weight  0.10000E+01 volume  0.32946E-02 ppm1      0.838 ppm2      1.628 CV     1
 ASSI {  407}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 38   and name HG12))
      2.200     0.600     0.600 peak   407 spectrum    1 weight  0.10000E+01 volume  0.66653E-02 ppm1      0.863 ppm2      1.526 CV     1
 ASSI {  408}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 60   and name HG11))
      2.200     0.600     0.600 peak   408 spectrum    1 weight  0.10000E+01 volume  0.96747E-02 ppm1      0.839 ppm2      1.480 CV     1
 ASSI {  409}
   (  segid "    " and resid 60   and name HD1%)
   (  segid "    " and resid 65   and name HB% )
      4.100     2.100     1.900 peak   409 spectrum    1 weight  0.10000E+01 volume  0.15436E-02 ppm1      0.860 ppm2      1.381 CV     1
 ASSI {  411}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 78   and name HG12))
      2.800     1.000     1.000 peak   411 spectrum    1 weight  0.10000E+01 volume  0.15397E-02 ppm1      0.842 ppm2      1.266 CV     1
 ASSI {  413}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 38   and name HG11))
      2.100     0.600     0.600 peak   413 spectrum    1 weight  0.10000E+01 volume  0.79321E-02 ppm1      0.862 ppm2      1.814 CV     1
 ASSI {  414}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 53   and name HG2 ))
      3.500     1.500     1.500 peak   414 spectrum    1 weight  0.10000E+01 volume  0.10130E-02 ppm1      0.838 ppm2      2.323 CV     1
 ASSI {  416}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 77   and name HB1 ))
      3.300     1.400     1.400 peak   416 spectrum    1 weight  0.10000E+01 volume  0.58491E-03 ppm1      0.844 ppm2      2.036 CV     1
 ASSI {  418}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 38   and name HB  ))
      2.400     0.700     0.700 peak   418 spectrum    1 weight  0.10000E+01 volume  0.67827E-02 ppm1      0.867 ppm2      2.457 CV     1
 ASSI {  420}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 35   and name HA  ))
      2.600     0.900     0.900 peak   420 spectrum    1 weight  0.10000E+01 volume  0.37286E-02 ppm1      0.867 ppm2      4.371 CV     1
 ASSI {  424}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 78   and name HA  ))
      2.900     1.000     1.000 peak   424 spectrum    1 weight  0.10000E+01 volume  0.23286E-02 ppm1      0.837 ppm2      3.744 CV     1
 ASSI {  429}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 80   and name HN  ))
      4.600     2.700     1.400 peak   429 spectrum    1 weight  0.10000E+01 volume  0.27326E-03 ppm1      0.836 ppm2      8.397 CV     1
 ASSI {  430}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 78   and name HN  ))
      3.900     1.900     1.900 peak   430 spectrum    1 weight  0.10000E+01 volume  0.76845E-03 ppm1      0.838 ppm2      8.245 CV     1
 ASSI {  431}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 60   and name HN  ))
      3.900     1.900     1.900 peak   431 spectrum    1 weight  0.10000E+01 volume  0.10411E-02 ppm1      0.838 ppm2      8.113 CV     1
 ASSI {  432}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 40   and name HN  ))
      4.600     2.600     1.400 peak   432 spectrum    1 weight  0.10000E+01 volume  0.65781E-03 ppm1      0.861 ppm2      8.056 CV     1
 ASSI {  434}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 53   and name HN  ))
      4.900     3.000     1.100 peak   434 spectrum    1 weight  0.10000E+01 volume  0.30806E-03 ppm1      0.845 ppm2      8.990 CV     1
 ASSI {  437}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 50   and name HN  ))
      2.500     0.800     0.800 peak   437 spectrum    1 weight  0.10000E+01 volume  0.49609E-02 ppm1      1.522 ppm2      8.229 CV     1
 ASSI {  439}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 79   and name HN  ))
      3.300     1.300     1.300 peak   439 spectrum    1 weight  0.10000E+01 volume  0.14553E-02 ppm1      0.865 ppm2      8.879 CV     1
 ASSI {  440}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 80   and name HN  ))
      4.800     2.900     1.200 peak   440 spectrum    1 weight  0.10000E+01 volume  0.24273E-03 ppm1      0.868 ppm2      8.420 CV     1
 ASSI {  442}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 5    and name HN  ))
      4.100     2.200     1.900 peak   442 spectrum    1 weight  0.10000E+01 volume  0.39254E-03 ppm1      0.863 ppm2      9.426 CV     1
 ASSI {  443}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 65   and name HN  ))
      3.000     1.100     1.100 peak   443 spectrum    1 weight  0.10000E+01 volume  0.15384E-02 ppm1      1.023 ppm2      8.213 CV     1
 ASSI {  444}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 60   and name HN  ))
      4.100     2.100     1.900 peak   444 spectrum    1 weight  0.10000E+01 volume  0.89660E-03 ppm1      1.022 ppm2      8.114 CV     1
 ASSI {  445}
   (  segid "    " and resid 78   and name HG2%)
   (  segid "    " and resid 56   and name HD% )
      3.900     1.900     1.900 peak   445 spectrum    1 weight  0.10000E+01 volume  0.74773E-03 ppm1      0.867 ppm2      7.438 CV     1
 ASSI {  446}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 64   and name HN  ))
      4.600     2.700     1.400 peak   446 spectrum    1 weight  0.10000E+01 volume  0.53449E-03 ppm1      1.024 ppm2      7.390 CV     1
 ASSI {  449}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 60   and name HA  ))
      2.400     0.700     0.700 peak   449 spectrum    1 weight  0.10000E+01 volume  0.48571E-02 ppm1      1.023 ppm2      4.661 CV     1
 ASSI {  450}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 79   and name HA  ))
      3.300     1.400     1.400 peak   450 spectrum    1 weight  0.10000E+01 volume  0.11276E-02 ppm1      0.869 ppm2      4.907 CV     1
 ASSI {  451}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 53   and name HA  ))
      3.900     1.900     1.900 peak   451 spectrum    1 weight  0.10000E+01 volume  0.45431E-03 ppm1      0.869 ppm2      4.084 CV     1
 ASSI {  452}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 75   and name HA  ))
      4.000     2.000     2.000 peak   452 spectrum    1 weight  0.10000E+01 volume  0.86492E-03 ppm1      0.867 ppm2      3.884 CV     1
 ASSI {  453}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 78   and name HA  ))
      2.300     0.700     0.700 peak   453 spectrum    1 weight  0.10000E+01 volume  0.60548E-02 ppm1      0.868 ppm2      3.740 CV     1
 ASSI {  456}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 61   and name HD2 ))
      2.800     1.000     1.000 peak   456 spectrum    1 weight  0.10000E+01 volume  0.37092E-02 ppm1      1.023 ppm2      3.570 CV     1
 ASSI {  463}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 52   and name HB1 ))
      3.600     1.700     1.700 peak   463 spectrum    1 weight  0.10000E+01 volume  0.73978E-03 ppm1      0.870 ppm2      2.220 CV     1
 ASSI {  464}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 58   and name HB  ))
      3.700     1.700     1.700 peak   464 spectrum    1 weight  0.10000E+01 volume  0.94958E-03 ppm1      0.870 ppm2      2.141 CV     1
 ASSI {  466}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 78   and name HB  ))
      2.100     0.600     0.600 peak   466 spectrum    1 weight  0.10000E+01 volume  0.70252E-02 ppm1      0.867 ppm2      1.932 CV     1
 ASSI {  467}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 78   and name HG11))
      3.200     1.300     1.300 peak   467 spectrum    1 weight  0.10000E+01 volume  0.34279E-02 ppm1      0.867 ppm2      1.718 CV     1
 ASSI {  469}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 52   and name HB2 ))
      4.000     2.000     2.000 peak   469 spectrum    1 weight  0.10000E+01 volume  0.96837E-03 ppm1      0.864 ppm2      1.452 CV     1
 ASSI {  470}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 5    and name HB2 ))
      3.100     1.200     1.200 peak   470 spectrum    1 weight  0.10000E+01 volume  0.18725E-02 ppm1      0.867 ppm2      1.367 CV     1
 ASSI {  471}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 78   and name HG12))
      2.500     0.800     0.800 peak   471 spectrum    1 weight  0.10000E+01 volume  0.42533E-02 ppm1      0.867 ppm2      1.292 CV     1
 ASSI {  473}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 64   and name HB  ))
      2.700     0.900     0.900 peak   473 spectrum    1 weight  0.10000E+01 volume  0.23942E-02 ppm1      1.021 ppm2      2.191 CV     1
 ASSI {  480}
   (  segid "    " and resid 78   and name HG2%)
   (  segid "    " and resid 5    and name HD1%)
      2.500     0.800     0.800 peak   480 spectrum    1 weight  0.10000E+01 volume  0.47625E-02 ppm1      0.868 ppm2      0.626 CV     1
 OR {  480}
   (  segid "    " and resid 78   and name HG2%)
   (  segid "    " and resid 5    and name HD2%)
 ASSI {  482}
   (  segid "    " and resid 78   and name HG2%)
   (  segid "    " and resid 74   and name HD2%)
      3.400     1.500     1.500 peak   482 spectrum    1 weight  0.10000E+01 volume  0.27899E-02 ppm1      0.865 ppm2      1.062 CV     1
 OR {  482}
   (  segid "    " and resid 78   and name HG2%)
   (  segid "    " and resid 74   and name HD1%)
 ASSI {  486}
   (  segid "    " and resid 60   and name HG2%)
   (  segid "    " and resid 60   and name HD1%)
      2.200     0.600     0.600 peak   486 spectrum    1 weight  0.10000E+01 volume  0.76608E-02 ppm1      1.023 ppm2      0.833 CV     1
 ASSI {  489}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 45   and name HG  ))
      3.000     1.100     1.100 peak   489 spectrum    1 weight  0.10000E+01 volume  0.20854E-02 ppm1      1.522 ppm2      1.340 CV     1
 ASSI {  490}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 65   and name HN  ))
      2.200     0.600     0.600 peak   490 spectrum    1 weight  0.10000E+01 volume  0.10603E-01 ppm1      1.383 ppm2      8.213 CV     1
 ASSI {  491}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 66   and name HN  ))
      2.700     0.900     0.900 peak   491 spectrum    1 weight  0.10000E+01 volume  0.34395E-02 ppm1      1.383 ppm2      8.026 CV     1
 ASSI {  492}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 19   and name HN  ))
      3.200     1.300     1.300 peak   492 spectrum    1 weight  0.10000E+01 volume  0.63271E-03 ppm1      1.521 ppm2      8.263 CV     1
 ASSI {  493}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 44   and name HN  ))
      2.200     0.600     0.600 peak   493 spectrum    1 weight  0.10000E+01 volume  0.10164E-01 ppm1      1.520 ppm2      8.154 CV     1
 ASSI {  494}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 41   and name HN  ))
      2.600     0.900     0.900 peak   494 spectrum    1 weight  0.10000E+01 volume  0.44116E-02 ppm1      1.520 ppm2      7.967 CV     1
 ASSI {  495}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 45   and name HN  ))
      2.600     0.800     0.800 peak   495 spectrum    1 weight  0.10000E+01 volume  0.49641E-02 ppm1      1.521 ppm2      8.464 CV     1
 ASSI {  498}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 43   and name HN  ))
      4.500     2.500     1.500 peak   498 spectrum    1 weight  0.10000E+01 volume  0.74453E-03 ppm1      1.519 ppm2      7.781 CV     1
 ASSI {  499}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 81   and name HN  ))
      2.200     0.600     0.600 peak   499 spectrum    1 weight  0.10000E+01 volume  0.10278E-01 ppm1      1.624 ppm2      7.582 CV     1
 ASSI {  501}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 13   and name HN  ))
      2.300     0.600     0.600 peak   501 spectrum    1 weight  0.10000E+01 volume  0.93553E-02 ppm1      1.668 ppm2      7.699 CV     1
 ASSI {  502}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 82   and name HN  ))
      2.500     0.800     0.800 peak   502 spectrum    1 weight  0.10000E+01 volume  0.46552E-02 ppm1      1.624 ppm2      8.277 CV     1
 ASSI {  503}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 50   and name HN  ))
      2.300     0.700     0.700 peak   503 spectrum    1 weight  0.10000E+01 volume  0.95811E-02 ppm1      1.647 ppm2      8.227 CV     1
 ASSI {  504}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 51   and name HN  ))
      2.600     0.900     0.900 peak   504 spectrum    1 weight  0.10000E+01 volume  0.44190E-02 ppm1      1.647 ppm2      8.101 CV     1
 ASSI {  505}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 59   and name HN  ))
      3.900     1.900     1.900 peak   505 spectrum    1 weight  0.10000E+01 volume  0.88134E-03 ppm1      1.623 ppm2      8.468 CV     1
 ASSI {  512}
   (  segid "    " and resid 44   and name HB% )
   (  segid "    " and resid 40   and name HD% )
      2.800     0.900     0.900 peak   512 spectrum    1 weight  0.10000E+01 volume  0.37178E-02 ppm1      1.520 ppm2      6.968 CV     1
 ASSI {  513}
   (  segid "    " and resid 44   and name HB% )
   (  segid "    " and resid 40   and name HE% )
      3.200     1.300     1.300 peak   513 spectrum    1 weight  0.10000E+01 volume  0.13390E-02 ppm1      1.520 ppm2      6.755 CV     1
 ASSI {  514}
   (  segid "    " and resid 13   and name HB% )
   (  segid "    " and resid 56   and name HE% )
      4.800     2.900     1.200 peak   514 spectrum    1 weight  0.10000E+01 volume  0.51041E-03 ppm1      1.668 ppm2      6.818 CV     1
 ASSI {  515}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 62   and name HA  ))
      2.800     1.000     1.000 peak   515 spectrum    1 weight  0.10000E+01 volume  0.27970E-02 ppm1      1.384 ppm2      4.448 CV     1
 ASSI {  516}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 46   and name HA  ))
      3.000     1.100     1.100 peak   516 spectrum    1 weight  0.10000E+01 volume  0.17504E-02 ppm1      1.384 ppm2      4.260 CV     1
 ASSI {  517}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 66   and name HA1 ))
      4.200     2.200     1.800 peak   517 spectrum    1 weight  0.10000E+01 volume  0.87858E-03 ppm1      1.384 ppm2      4.112 CV     1
 ASSI {  518}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 65   and name HA  ))
      2.200     0.600     0.600 peak   518 spectrum    1 weight  0.10000E+01 volume  0.10276E-01 ppm1      1.384 ppm2      3.968 CV     1
 ASSI {  519}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 66   and name HA2 ))
      3.700     1.700     1.700 peak   519 spectrum    1 weight  0.10000E+01 volume  0.94644E-03 ppm1      1.384 ppm2      3.859 CV     1
 ASSI {  520}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 44   and name HA  ))
      2.200     0.600     0.600 peak   520 spectrum    1 weight  0.10000E+01 volume  0.11034E-01 ppm1      1.520 ppm2      4.308 CV     1
 ASSI {  522}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 78   and name HA  ))
      2.600     0.800     0.800 peak   522 spectrum    1 weight  0.10000E+01 volume  0.36373E-02 ppm1      1.624 ppm2      3.741 CV     1
 ASSI {  523}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 81   and name HA  ))
      2.100     0.500     0.500 peak   523 spectrum    1 weight  0.10000E+01 volume  0.15898E-01 ppm1      1.624 ppm2      4.457 CV     1
 ASSI {  524}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 13   and name HA  ))
      2.200     0.600     0.600 peak   524 spectrum    1 weight  0.10000E+01 volume  0.12275E-01 ppm1      1.667 ppm2      4.399 CV     1
 ASSI {  525}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 10   and name HA  ))
      2.500     0.800     0.800 peak   525 spectrum    1 weight  0.10000E+01 volume  0.44987E-02 ppm1      1.667 ppm2      4.213 CV     1
 ASSI {  527}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 58   and name HA  ))
      4.200     2.200     1.800 peak   527 spectrum    1 weight  0.10000E+01 volume  0.71483E-03 ppm1      1.624 ppm2      4.668 CV     1
 ASSI {  530}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 45   and name HA  ))
      3.600     1.600     1.600 peak   530 spectrum    1 weight  0.10000E+01 volume  0.10437E-02 ppm1      1.520 ppm2      3.878 CV     1
 ASSI {  531}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 40   and name HB1 ))
      3.700     1.700     1.700 peak   531 spectrum    1 weight  0.10000E+01 volume  0.72804E-03 ppm1      1.522 ppm2      3.006 CV     1
 ASSI {  533}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 64   and name HB  ))
      3.900     1.900     1.900 peak   533 spectrum    1 weight  0.10000E+01 volume  0.15402E-02 ppm1      1.383 ppm2      2.193 CV     1
 ASSI {  535}
   (  segid "    " and resid 65   and name HB% )
   (  segid "    " and resid 60   and name HG2%)
      2.600     0.800     0.800 peak   535 spectrum    1 weight  0.10000E+01 volume  0.47791E-02 ppm1      1.383 ppm2      1.026 CV     1
 ASSI {  542}
   (  segid "    " and resid 13   and name HB% )
   (  segid "    " and resid 52   and name HD1%)
      2.700     0.900     0.900 peak   542 spectrum    1 weight  0.10000E+01 volume  0.37683E-02 ppm1      1.668 ppm2      0.865 CV     1
 ASSI {  544}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 58   and name HB  ))
      2.500     0.800     0.800 peak   544 spectrum    1 weight  0.10000E+01 volume  0.31907E-02 ppm1      1.625 ppm2      2.131 CV     1
 ASSI {  545}
   (  segid "    " and resid 44   and name HB% )
   (  segid "    " and resid 45   and name HD2%)
      5.300     3.500     0.700 peak   545 spectrum    1 weight  0.10000E+01 volume  0.34663E-03 ppm1      1.516 ppm2      0.362 CV     1
 ASSI {  546}
   (  segid "    " and resid 44   and name HB% )
   (  segid "    " and resid 45   and name HD1%)
      4.900     3.000     1.100 peak   546 spectrum    1 weight  0.10000E+01 volume  0.43735E-03 ppm1      1.522 ppm2      0.206 CV     1
 ASSI {  549}
   (  segid "    " and resid 65   and name HB% )
   (  segid "    " and resid 45   and name HD2%)
      3.800     1.800     1.800 peak   549 spectrum    1 weight  0.10000E+01 volume  0.73196E-03 ppm1      1.380 ppm2      0.346 CV     1
 ASSI {  551}
   (  segid "    " and resid 65   and name HB% )
   (  segid "    " and resid 45   and name HD1%)
      4.600     2.600     1.400 peak   551 spectrum    1 weight  0.10000E+01 volume  0.42004E-03 ppm1      1.380 ppm2      0.191 CV     1
 ASSI {  552}
   (  segid "    " and resid 13   and name HB% )
   (  segid "    " and resid 5    and name HD1%)
      4.500     2.500     1.500 peak   552 spectrum    1 weight  0.10000E+01 volume  0.63010E-03 ppm1      1.668 ppm2      0.622 CV     1
 OR {  552}
   (  segid "    " and resid 13   and name HB% )
   (  segid "    " and resid 5    and name HD2%)
 ASSI {  557}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 17   and name HB2 ))
      3.900     1.900     1.900 peak   557 spectrum    1 weight  0.10000E+01 volume  0.67603E-03 ppm1      1.519 ppm2      4.057 CV     1
 ASSI {  559}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 12   and name HN  ))
      4.800     2.800     1.200 peak   559 spectrum    1 weight  0.10000E+01 volume  0.41796E-03 ppm1      1.666 ppm2      7.966 CV     1
 ASSI {  563}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 59   and name HN  ))
      3.900     1.900     1.900 peak   563 spectrum    1 weight  0.10000E+01 volume  0.22755E-02 ppm1      0.917 ppm2      8.481 CV     1
 ASSI {  564}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 82   and name HN  ))
      3.700     1.700     1.700 peak   564 spectrum    1 weight  0.10000E+01 volume  0.76871E-03 ppm1      0.918 ppm2      8.271 CV     1
 ASSI {  568}
   (  segid "    " and resid 85   and name HB% )
   (( segid "    " and resid 86   and name HN  ))
      3.300     1.400     1.400 peak   568 spectrum    1 weight  0.10000E+01 volume  0.14702E-02 ppm1      1.567 ppm2      7.963 CV     1
 ASSI {  569}
   (  segid "    " and resid 85   and name HB% )
   (( segid "    " and resid 85   and name HN  ))
      2.300     0.700     0.700 peak   569 spectrum    1 weight  0.10000E+01 volume  0.99980E-02 ppm1      1.568 ppm2      7.826 CV     1
 ASSI {  570}
   (  segid "    " and resid 85   and name HB% )
   (( segid "    " and resid 84   and name HN  ))
      4.300     2.300     1.700 peak   570 spectrum    1 weight  0.10000E+01 volume  0.82849E-03 ppm1      1.565 ppm2      7.718 CV     1
 ASSI {  571}
   (  segid "    " and resid 83   and name HB% )
   (( segid "    " and resid 83   and name HN  ))
      2.200     0.600     0.600 peak   571 spectrum    1 weight  0.10000E+01 volume  0.13537E-01 ppm1      1.602 ppm2      7.958 CV     1
 ASSI {  573}
   (  segid "    " and resid 83   and name HB% )
   (( segid "    " and resid 84   and name HN  ))
      2.700     0.900     0.900 peak   573 spectrum    1 weight  0.10000E+01 volume  0.37561E-02 ppm1      1.602 ppm2      7.746 CV     1
 ASSI {  574}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 58   and name HN  ))
      2.600     0.800     0.800 peak   574 spectrum    1 weight  0.10000E+01 volume  0.58303E-02 ppm1      0.918 ppm2      7.527 CV     1
 ASSI {  575}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 37   and name HN  ))
      3.300     1.400     1.400 peak   575 spectrum    1 weight  0.10000E+01 volume  0.50145E-03 ppm1      1.055 ppm2      7.561 CV     1
 ASSI {  576}
   (  segid "    " and resid 18   and name HB% )
   (  segid "    " and resid 40   and name HD% )
      3.700     1.700     1.700 peak   576 spectrum    1 weight  0.10000E+01 volume  0.94522E-03 ppm1      1.541 ppm2      6.968 CV     1
 ASSI {  577}
   (  segid "    " and resid 18   and name HB% )
   (  segid "    " and resid 40   and name HE% )
      2.700     0.900     0.900 peak   577 spectrum    1 weight  0.10000E+01 volume  0.27810E-02 ppm1      1.540 ppm2      6.758 CV     1
 ASSI {  578}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 82   and name HA  ))
      3.700     1.700     1.700 peak   578 spectrum    1 weight  0.10000E+01 volume  0.81681E-03 ppm1      0.917 ppm2      4.208 CV     1
 ASSI {  581}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 56   and name HB1 ))
      3.900     1.900     1.900 peak   581 spectrum    1 weight  0.10000E+01 volume  0.13243E-02 ppm1      0.919 ppm2      3.456 CV     1
 ASSI {  582}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 59   and name HA  ))
      4.800     2.800     1.200 peak   582 spectrum    1 weight  0.10000E+01 volume  0.56557E-03 ppm1      0.917 ppm2      4.840 CV     1
 ASSI {  583}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 58   and name HA  ))
      2.700     0.900     0.900 peak   583 spectrum    1 weight  0.10000E+01 volume  0.34515E-02 ppm1      0.918 ppm2      4.682 CV     1
 ASSI {  585}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 35   and name HA  ))
      4.000     2.000     2.000 peak   585 spectrum    1 weight  0.10000E+01 volume  0.13654E-02 ppm1      1.055 ppm2      4.368 CV     1
 ASSI {  586}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 23   and name HA1 ))
      3.100     1.200     1.200 peak   586 spectrum    1 weight  0.10000E+01 volume  0.16211E-02 ppm1      1.541 ppm2      4.061 CV     1
 OR {  586}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 23   and name HA2 ))
 ASSI {  587}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 15   and name HA  ))
      2.700     0.900     0.900 peak   587 spectrum    1 weight  0.10000E+01 volume  0.32334E-02 ppm1      1.541 ppm2      3.938 CV     1
 ASSI {  589}
   (  segid "    " and resid 83   and name HB% )
   (( segid "    " and resid 83   and name HA  ))
      2.200     0.600     0.600 peak   589 spectrum    1 weight  0.10000E+01 volume  0.14113E-01 ppm1      1.603 ppm2      4.278 CV     1
 ASSI {  591}
   (  segid "    " and resid 83   and name HB% )
   (( segid "    " and resid 80   and name HA2 ))
      2.600     0.900     0.900 peak   591 spectrum    1 weight  0.10000E+01 volume  0.28777E-02 ppm1      1.603 ppm2      4.018 CV     1
 ASSI {  592}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 18   and name HA  ))
      2.100     0.600     0.600 peak   592 spectrum    1 weight  0.10000E+01 volume  0.13432E-01 ppm1      1.540 ppm2      4.372 CV     1
 ASSI {  593}
   (  segid "    " and resid 85   and name HB% )
   (( segid "    " and resid 85   and name HA  ))
      2.300     0.600     0.600 peak   593 spectrum    1 weight  0.10000E+01 volume  0.10927E-01 ppm1      1.568 ppm2      4.473 CV     1
 ASSI {  594}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 38   and name HB  ))
      2.600     0.800     0.800 peak   594 spectrum    1 weight  0.10000E+01 volume  0.39998E-02 ppm1      1.055 ppm2      2.461 CV     1
 ASSI {  596}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 53   and name HB1 ))
      4.200     2.200     1.800 peak   596 spectrum    1 weight  0.10000E+01 volume  0.11309E-02 ppm1      0.918 ppm2      2.517 CV     1
 ASSI {  597}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 53   and name HG2 ))
      3.900     1.900     1.900 peak   597 spectrum    1 weight  0.10000E+01 volume  0.23715E-02 ppm1      0.919 ppm2      2.331 CV     1
 OR {  597}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 53   and name HB2 ))
 ASSI {  598}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 58   and name HB  ))
      2.100     0.600     0.600 peak   598 spectrum    1 weight  0.10000E+01 volume  0.89827E-02 ppm1      0.918 ppm2      2.133 CV     1
 ASSI {  599}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 38   and name HG11))
      3.400     1.400     1.400 peak   599 spectrum    1 weight  0.10000E+01 volume  0.30541E-02 ppm1      1.054 ppm2      1.822 CV     1
 ASSI {  600}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 33   and name HB1 ))
      2.700     0.900     0.900 peak   600 spectrum    1 weight  0.10000E+01 volume  0.24429E-02 ppm1      1.054 ppm2      1.790 CV     1
 ASSI {  601}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 82   and name HG  ))
      3.000     1.200     1.200 peak   601 spectrum    1 weight  0.10000E+01 volume  0.14411E-02 ppm1      0.917 ppm2      1.827 CV     1
 ASSI {  602}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 22   and name HB1 ))
      4.300     2.300     1.700 peak   602 spectrum    1 weight  0.10000E+01 volume  0.53260E-03 ppm1      1.545 ppm2      2.830 CV     1
 OR {  602}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 22   and name HB2 ))
 ASSI {  603}
   (  segid "    " and resid 85   and name HB% )
   (  segid "    " and resid 82   and name HD2%)
      2.900     1.100     1.100 peak   603 spectrum    1 weight  0.10000E+01 volume  0.39033E-02 ppm1      1.569 ppm2      0.978 CV     1
 ASSI {  604}
   (  segid "    " and resid 83   and name HB% )
   (  segid "    " and resid 4    and name HD1%)
      2.400     2.400     3.600 peak   604 spectrum    1 weight  0.10000E+01 volume  0.34214E-02 ppm1      1.603 ppm2      0.875 CV     1
 ASSI {  605}
   (  segid "    " and resid 58   and name HG1%)
   (  segid "    " and resid 81   and name HB% )
      2.500     0.800     0.800 peak   605 spectrum    1 weight  0.10000E+01 volume  0.53293E-02 ppm1      0.918 ppm2      1.621 CV     1
 ASSI {  607}
   (  segid "    " and resid 38   and name HG2%)
   (  segid "    " and resid 38   and name HD1%)
      2.200     0.600     0.600 peak   607 spectrum    1 weight  0.10000E+01 volume  0.89769E-02 ppm1      1.056 ppm2      0.867 CV     1
 ASSI {  613}
   (  segid "    " and resid 38   and name HG2%)
   (  segid "    " and resid 40   and name HE% )
      5.300     3.500     0.700 peak   613 spectrum    1 weight  0.10000E+01 volume  0.31655E-03 ppm1      1.057 ppm2      6.760 CV     1
 ASSI {  614}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 65   and name HN  ))
      3.100     1.200     1.200 peak   614 spectrum    1 weight  0.10000E+01 volume  0.29076E-02 ppm1      0.974 ppm2      8.212 CV     1
 ASSI {  619}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 49   and name HN  ))
      3.300     1.300     1.300 peak   619 spectrum    1 weight  0.10000E+01 volume  0.21376E-02 ppm1      1.124 ppm2      8.762 CV     1
 ASSI {  620}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 69   and name HN  ))
      4.000     2.000     2.000 peak   620 spectrum    1 weight  0.10000E+01 volume  0.10546E-02 ppm1      1.215 ppm2      9.077 CV     1
 ASSI {  622}
   (  segid "    " and resid 86   and name HB% )
   (( segid "    " and resid 86   and name HN  ))
      3.300     1.400     1.400 peak   622 spectrum    1 weight  0.10000E+01 volume  0.14909E-02 ppm1      1.480 ppm2      7.975 CV     1
 ASSI {  624}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 19   and name HN  ))
      2.600     0.800     0.800 peak   624 spectrum    1 weight  0.10000E+01 volume  0.30977E-02 ppm1      1.540 ppm2      8.245 CV     1
 ASSI {  627}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 45   and name HD2%)
      4.800     2.900     1.200 peak   627 spectrum    1 weight  0.10000E+01 volume  0.48846E-03 ppm1      1.127 ppm2      0.359 CV     1
 ASSI {  628}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 45   and name HD1%)
      4.000     2.000     2.000 peak   628 spectrum    1 weight  0.10000E+01 volume  0.60164E-03 ppm1      1.123 ppm2      0.217 CV     1
 ASSI {  629}
   (  segid "    " and resid 68   and name HG2%)
   (  segid "    " and resid 45   and name HD2%)
      2.400     0.700     0.700 peak   629 spectrum    1 weight  0.10000E+01 volume  0.43176E-02 ppm1      1.216 ppm2      0.354 CV     1
 ASSI {  630}
   (  segid "    " and resid 68   and name HG2%)
   (  segid "    " and resid 45   and name HD1%)
      2.800     1.000     1.000 peak   630 spectrum    1 weight  0.10000E+01 volume  0.29893E-02 ppm1      1.215 ppm2      0.215 CV     1
 ASSI {  633}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 14   and name HD1%)
      2.300     0.700     0.700 peak   633 spectrum    1 weight  0.10000E+01 volume  0.76063E-02 ppm1      1.125 ppm2      0.763 CV     1
 ASSI {  634}
   (  segid "    " and resid 68   and name HG2%)
   (  segid "    " and resid 60   and name HG2%)
      2.700     0.900     0.900 peak   634 spectrum    1 weight  0.10000E+01 volume  0.61042E-02 ppm1      1.216 ppm2      1.015 CV     1
 ASSI {  640}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 74   and name HB2 ))
      2.500     0.800     0.800 peak   640 spectrum    1 weight  0.10000E+01 volume  0.48091E-02 ppm1      1.215 ppm2      1.704 CV     1
 ASSI {  642}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 68   and name HB  ))
      2.100     0.500     0.500 peak   642 spectrum    1 weight  0.10000E+01 volume  0.10026E-01 ppm1      1.216 ppm2      2.415 CV     1
 ASSI {  643}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 73   and name HB2 ))
      4.100     2.100     1.900 peak   643 spectrum    1 weight  0.10000E+01 volume  0.13748E-02 ppm1      1.216 ppm2      2.278 CV     1
 ASSI {  645}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 64   and name HB  ))
      2.100     0.600     0.600 peak   645 spectrum    1 weight  0.10000E+01 volume  0.79456E-02 ppm1      0.972 ppm2      2.200 CV     1
 ASSI {  647}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 64   and name HA  ))
      2.400     0.700     0.700 peak   647 spectrum    1 weight  0.10000E+01 volume  0.59474E-02 ppm1      0.973 ppm2      3.816 CV     1
 ASSI {  649}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 68   and name HA  ))
      3.100     1.200     1.200 peak   649 spectrum    1 weight  0.10000E+01 volume  0.33196E-02 ppm1      1.215 ppm2      4.435 CV     1
 ASSI {  650}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 74   and name HA  ))
      3.000     1.100     1.100 peak   650 spectrum    1 weight  0.10000E+01 volume  0.27817E-02 ppm1      1.215 ppm2      4.306 CV     1
 ASSI {  651}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 65   and name HA  ))
      2.700     0.900     0.900 peak   651 spectrum    1 weight  0.10000E+01 volume  0.21444E-02 ppm1      1.215 ppm2      3.969 CV     1
 ASSI {  653}
   (  segid "    " and resid 86   and name HB% )
   (( segid "    " and resid 86   and name HA  ))
      3.000     1.100     1.100 peak   653 spectrum    1 weight  0.10000E+01 volume  0.23315E-02 ppm1      1.478 ppm2      4.224 CV     1
 ASSI {  655}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 2    and name HA  ))
      2.600     0.800     0.800 peak   655 spectrum    1 weight  0.10000E+01 volume  0.52285E-02 ppm1      1.645 ppm2      4.275 CV     1
 ASSI {  657}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 68   and name HN  ))
      2.300     0.600     0.600 peak   657 spectrum    1 weight  0.10000E+01 volume  0.55101E-02 ppm1      1.217 ppm2      7.270 CV     1
 ASSI {  658}
   (  segid "    " and resid 68   and name HG2%)
   (  segid "    " and resid 35   and name HD% )
      3.300     1.300     1.300 peak   658 spectrum    1 weight  0.10000E+01 volume  0.13020E-02 ppm1      1.214 ppm2      7.117 CV     1
 ASSI {  659}
   (  segid "    " and resid 68   and name HG2%)
   (  segid "    " and resid 35   and name HE% )
      2.500     0.800     0.800 peak   659 spectrum    1 weight  0.10000E+01 volume  0.43667E-02 ppm1      1.215 ppm2      6.917 CV     1
 ASSI {  660}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 64   and name HN  ))
      3.600     1.600     1.600 peak   660 spectrum    1 weight  0.10000E+01 volume  0.26740E-02 ppm1      0.973 ppm2      7.399 CV     1
 ASSI {  667}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 40   and name HE% )
      3.000     1.200     1.200 peak   667 spectrum    1 weight  0.10000E+01 volume  0.80751E-03 ppm1      1.122 ppm2      6.764 CV     1
 ASSI {  671}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 3    and name HN  ))
      4.200     2.300     1.800 peak   671 spectrum    1 weight  0.10000E+01 volume  0.49266E-03 ppm1      1.644 ppm2      8.662 CV     1
 ASSI {  672}
   (  segid "    " and resid 24   and name HG2%)
   (  segid "    " and resid 26   and name HD1%)
      2.700     0.900     0.900 peak   672 spectrum    1 weight  0.10000E+01 volume  0.34707E-02 ppm1      1.277 ppm2      0.691 CV     1
 ASSI {  676}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HB2 ))
      2.700     0.900     0.900 peak   676 spectrum    1 weight  0.10000E+01 volume  0.45359E-02 ppm1      0.951 ppm2      1.411 CV     1
 ASSI {  679}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HG  ))
      2.200     0.600     0.600 peak   679 spectrum    1 weight  0.10000E+01 volume  0.11097E-01 ppm1      0.952 ppm2      1.772 CV     1
 OR {  679}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HB1 ))
 ASSI {  680}
   (  segid "    " and resid 58   and name HG2%)
   (  segid "    " and resid 81   and name HB% )
      3.000     1.200     1.200 peak   680 spectrum    1 weight  0.10000E+01 volume  0.38766E-02 ppm1      0.968 ppm2      1.623 CV     1
 ASSI {  682}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 58   and name HB  ))
      2.100     0.500     0.500 peak   682 spectrum    1 weight  0.10000E+01 volume  0.83965E-02 ppm1      0.968 ppm2      2.133 CV     1
 ASSI {  684}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 64   and name HB  ))
      2.100     0.600     0.600 peak   684 spectrum    1 weight  0.10000E+01 volume  0.88570E-02 ppm1      1.028 ppm2      2.199 CV     1
 ASSI {  685}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 61   and name HB2 ))
      2.300     0.700     0.700 peak   685 spectrum    1 weight  0.10000E+01 volume  0.34207E-02 ppm1      1.029 ppm2      2.066 CV     1
 ASSI {  686}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 15   and name HB  ))
      2.100     0.600     0.600 peak   686 spectrum    1 weight  0.10000E+01 volume  0.10755E-01 ppm1      1.033 ppm2      2.271 CV     1
 ASSI {  687}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 34   and name HG2 ))
      2.500     0.800     0.800 peak   687 spectrum    1 weight  0.10000E+01 volume  0.22976E-02 ppm1      1.076 ppm2      1.613 CV     1
 ASSI {  689}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 34   and name HG1 ))
      4.200     2.200     1.800 peak   689 spectrum    1 weight  0.10000E+01 volume  0.11857E-02 ppm1      1.077 ppm2      1.954 CV     1
 ASSI {  690}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 61   and name HB1 ))
      4.600     2.600     1.400 peak   690 spectrum    1 weight  0.10000E+01 volume  0.10955E-02 ppm1      1.029 ppm2      2.534 CV     1
 ASSI {  691}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 38   and name HB  ))
      3.200     1.300     1.300 peak   691 spectrum    1 weight  0.10000E+01 volume  0.11158E-02 ppm1      1.278 ppm2      2.453 CV     1
 ASSI {  692}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 9    and name HB1 ))
      5.500     3.700     0.500 peak   692 spectrum    1 weight  0.10000E+01 volume  0.30345E-03 ppm1      1.415 ppm2      3.026 CV     1
 ASSI {  694}
   (  segid "    " and resid 6    and name HG2%)
   (  segid "    " and resid 5    and name HD2%)
      5.000     3.200     1.000 peak   694 spectrum    1 weight  0.10000E+01 volume  0.39358E-03 ppm1      1.411 ppm2      0.633 CV     1
 OR {  694}
   (  segid "    " and resid 6    and name HG2%)
   (  segid "    " and resid 5    and name HD1%)
 ASSI {  695}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 69   and name HB1 ))
      3.100     1.200     1.200 peak   695 spectrum    1 weight  0.10000E+01 volume  0.33148E-02 ppm1      1.078 ppm2      3.019 CV     1
 ASSI {  696}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 69   and name HB2 ))
      2.600     0.800     0.800 peak   696 spectrum    1 weight  0.10000E+01 volume  0.37820E-02 ppm1      1.077 ppm2      2.881 CV     1
 ASSI {  697}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 73   and name HG1 ))
      4.200     2.300     1.800 peak   697 spectrum    1 weight  0.10000E+01 volume  0.52694E-03 ppm1      1.076 ppm2      2.639 CV     1
 ASSI {  698}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 73   and name HB1 ))
      4.500     2.500     1.500 peak   698 spectrum    1 weight  0.10000E+01 volume  0.56296E-03 ppm1      1.078 ppm2      2.482 CV     1
 ASSI {  702}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 61   and name HD2 ))
      2.700     0.900     0.900 peak   702 spectrum    1 weight  0.10000E+01 volume  0.18589E-02 ppm1      1.029 ppm2      3.567 CV     1
 ASSI {  703}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 64   and name HA  ))
      2.300     0.600     0.600 peak   703 spectrum    1 weight  0.10000E+01 volume  0.88005E-02 ppm1      1.028 ppm2      3.816 CV     1
 ASSI {  704}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 56   and name HB1 ))
      4.400     2.400     1.600 peak   704 spectrum    1 weight  0.10000E+01 volume  0.76332E-03 ppm1      0.968 ppm2      3.459 CV     1
 ASSI {  706}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 61   and name HD1 ))
      4.500     2.500     1.500 peak   706 spectrum    1 weight  0.10000E+01 volume  0.10992E-02 ppm1      1.027 ppm2      3.996 CV     1
 ASSI {  709}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 15   and name HA  ))
      2.400     0.700     0.700 peak   709 spectrum    1 weight  0.10000E+01 volume  0.65653E-02 ppm1      1.033 ppm2      3.936 CV     1
 ASSI {  711}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 53   and name HA  ))
      2.800     1.000     1.000 peak   711 spectrum    1 weight  0.10000E+01 volume  0.12100E-02 ppm1      0.967 ppm2      4.089 CV     1
 ASSI {  712}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HA  ))
      2.300     0.700     0.700 peak   712 spectrum    1 weight  0.10000E+01 volume  0.10932E-01 ppm1      0.952 ppm2      4.310 CV     1
 ASSI {  713}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 71   and name HD1 ))
      4.400     2.400     1.600 peak   713 spectrum    1 weight  0.10000E+01 volume  0.98691E-03 ppm1      1.078 ppm2      4.022 CV     1
 ASSI {  718}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 34   and name HA  ))
      2.500     0.800     0.800 peak   718 spectrum    1 weight  0.10000E+01 volume  0.43073E-02 ppm1      1.077 ppm2      4.735 CV     1
 ASSI {  724}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 21   and name HB  ))
      2.300     0.700     0.700 peak   724 spectrum    1 weight  0.10000E+01 volume  0.10116E-01 ppm1      1.238 ppm2      4.367 CV     1
 ASSI {  725}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 24   and name HA  ))
      2.500     0.800     0.800 peak   725 spectrum    1 weight  0.10000E+01 volume  0.67372E-02 ppm1      1.277 ppm2      4.330 CV     1
 ASSI {  726}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 24   and name HB  ))
      2.300     0.700     0.700 peak   726 spectrum    1 weight  0.10000E+01 volume  0.95702E-02 ppm1      1.277 ppm2      4.225 CV     1
 ASSI {  727}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 5    and name HA  ))
      3.500     1.500     1.500 peak   727 spectrum    1 weight  0.10000E+01 volume  0.15592E-02 ppm1      1.412 ppm2      4.522 CV     1
 ASSI {  728}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 21   and name HA  ))
      2.600     0.800     0.800 peak   728 spectrum    1 weight  0.10000E+01 volume  0.56877E-02 ppm1      1.238 ppm2      4.505 CV     1
 ASSI {  729}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 6    and name HB  ))
      2.200     0.600     0.600 peak   729 spectrum    1 weight  0.10000E+01 volume  0.93945E-02 ppm1      1.412 ppm2      4.847 CV     1
 ASSI {  730}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 70   and name HA  ))
      2.600     0.800     0.800 peak   730 spectrum    1 weight  0.10000E+01 volume  0.34634E-02 ppm1      1.077 ppm2      4.963 CV     1
 ASSI {  739}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 8    and name HN  ))
      4.900     3.000     1.100 peak   739 spectrum    1 weight  0.10000E+01 volume  0.64806E-03 ppm1      1.412 ppm2      8.245 CV     1
 ASSI {  740}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 21   and name HN  ))
      3.400     1.500     1.500 peak   740 spectrum    1 weight  0.10000E+01 volume  0.26465E-02 ppm1      1.238 ppm2      8.250 CV     1
 ASSI {  741}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 24   and name HN  ))
      3.400     1.400     1.400 peak   741 spectrum    1 weight  0.10000E+01 volume  0.26282E-02 ppm1      1.276 ppm2      8.132 CV     1
 ASSI {  743}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 64   and name HN  ))
      2.400     0.700     0.700 peak   743 spectrum    1 weight  0.10000E+01 volume  0.59447E-02 ppm1      1.029 ppm2      7.397 CV     1
 ASSI {  744}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 58   and name HN  ))
      2.800     1.000     1.000 peak   744 spectrum    1 weight  0.10000E+01 volume  0.20195E-02 ppm1      0.968 ppm2      7.525 CV     1
 ASSI {  745}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 70   and name HN  ))
      2.800     1.000     1.000 peak   745 spectrum    1 weight  0.10000E+01 volume  0.26759E-02 ppm1      1.077 ppm2      7.472 CV     1
 ASSI {  746}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HN  ))
      3.200     1.200     1.200 peak   746 spectrum    1 weight  0.10000E+01 volume  0.20421E-02 ppm1      0.953 ppm2      7.200 CV     1
 ASSI {  748}
   (  segid "    " and resid 74   and name HD1%)
   (  segid "    " and resid 35   and name HE% )
      3.500     1.500     1.500 peak   748 spectrum    1 weight  0.10000E+01 volume  0.34118E-03 ppm1      1.065 ppm2      6.916 CV     1
 OR {  748}
   (  segid "    " and resid 74   and name HD2%)
   (  segid "    " and resid 35   and name HE% )
 ASSI {  750}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 74   and name HN  ))
      4.500     2.500     1.500 peak   750 spectrum    1 weight  0.10000E+01 volume  0.90789E-03 ppm1      1.062 ppm2      7.706 CV     1
 OR {  750}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 74   and name HN  ))
 ASSI {  753}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 6    and name HN  ))
      2.600     0.900     0.900 peak   753 spectrum    1 weight  0.10000E+01 volume  0.43603E-02 ppm1      1.412 ppm2      9.031 CV     1
 ASSI {  754}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 7    and name HN  ))
      4.200     2.200     1.800 peak   754 spectrum    1 weight  0.10000E+01 volume  0.18092E-02 ppm1      1.411 ppm2      8.836 CV     1
 ASSI {  755}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 25   and name HN  ))
      3.400     1.400     1.400 peak   755 spectrum    1 weight  0.10000E+01 volume  0.23897E-02 ppm1      1.277 ppm2      8.604 CV     1
 ASSI {  758}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 59   and name HN  ))
      3.500     1.500     1.500 peak   758 spectrum    1 weight  0.10000E+01 volume  0.15107E-02 ppm1      0.971 ppm2      8.478 CV     1
 ASSI {  759}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 35   and name HN  ))
      3.400     1.400     1.400 peak   759 spectrum    1 weight  0.10000E+01 volume  0.18742E-02 ppm1      1.075 ppm2      8.471 CV     1
 ASSI {  763}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 72   and name HN  ))
      4.500     2.500     1.500 peak   763 spectrum    1 weight  0.10000E+01 volume  0.73798E-03 ppm1      1.075 ppm2      8.998 CV     1
 ASSI {  764}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 73   and name HN  ))
      4.700     2.800     1.300 peak   764 spectrum    1 weight  0.10000E+01 volume  0.42877E-03 ppm1      1.077 ppm2      7.835 CV     1
 ASSI {  767}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 65   and name HN  ))
      4.000     2.000     2.000 peak   767 spectrum    1 weight  0.10000E+01 volume  0.15304E-02 ppm1      1.028 ppm2      8.212 CV     1
 ASSI {  770}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 63   and name HN  ))
      4.800     2.900     1.200 peak   770 spectrum    1 weight  0.10000E+01 volume  0.43787E-03 ppm1      1.026 ppm2      8.629 CV     1
 ASSI {  772}
   (  segid "    " and resid 70   and name HG2%)
   (  segid "    " and resid 35   and name HD% )
      5.100     3.200     0.900 peak   772 spectrum    1 weight  0.10000E+01 volume  0.18406E-03 ppm1      1.077 ppm2      7.105 CV     1
 OR {  772}
   (  segid "    " and resid 70   and name HG2%)
   (  segid "    " and resid 35   and name HD% )
 ASSI {  773}
   (  segid "    " and resid 24   and name HG2%)
   (  segid "    " and resid 40   and name HE% )
      3.900     1.900     1.900 peak   773 spectrum    1 weight  0.10000E+01 volume  0.46023E-03 ppm1      1.272 ppm2      6.760 CV     1
 ASSI {  775}
   (  segid "    " and resid 24   and name HG2%)
   (  segid "    " and resid 40   and name HD% )
      4.000     2.000     2.000 peak   775 spectrum    1 weight  0.10000E+01 volume  0.41322E-03 ppm1      1.279 ppm2      6.976 CV     1
 ASSI {  778}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 31   and name HD1%)
      2.600     0.900     0.900 peak   778 spectrum    1 weight  0.10000E+01 volume  0.49054E-02 ppm1      1.381 ppm2      0.452 CV     1
 ASSI {  781}
   (  segid "    " and resid 68   and name HG1%)
   (  segid "    " and resid 45   and name HD2%)
      4.600     2.600     1.400 peak   781 spectrum    1 weight  0.10000E+01 volume  0.11336E-02 ppm1      1.133 ppm2      0.356 CV     1
 ASSI {  782}
   (  segid "    " and resid 68   and name HG1%)
   (  segid "    " and resid 45   and name HD1%)
      4.300     2.300     1.700 peak   782 spectrum    1 weight  0.10000E+01 volume  0.79122E-03 ppm1      1.133 ppm2      0.217 CV     1
 ASSI {  783}
   (  segid "    " and resid 74   and name HD1%)
   (  segid "    " and resid 45   and name HD2%)
      2.800     1.000     1.000 peak   783 spectrum    1 weight  0.10000E+01 volume  0.11966E-02 ppm1      1.062 ppm2      0.360 CV     1
 OR {  783}
   (  segid "    " and resid 74   and name HD2%)
   (  segid "    " and resid 45   and name HD2%)
 ASSI {  784}
   (  segid "    " and resid 74   and name HD1%)
   (  segid "    " and resid 45   and name HD1%)
      3.300     1.400     1.400 peak   784 spectrum    1 weight  0.10000E+01 volume  0.76217E-03 ppm1      1.064 ppm2      0.209 CV     1
 ASSI {  785}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 45   and name HD2%)
      4.400     2.500     1.600 peak   785 spectrum    1 weight  0.10000E+01 volume  0.79026E-03 ppm1      0.758 ppm2      0.349 CV     1
 ASSI {  786}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 45   and name HD1%)
      3.300     1.300     1.300 peak   786 spectrum    1 weight  0.10000E+01 volume  0.12256E-02 ppm1      0.757 ppm2      0.211 CV     1
 ASSI {  788}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 45   and name HG  ))
      2.500     0.800     0.800 peak   788 spectrum    1 weight  0.10000E+01 volume  0.36695E-02 ppm1      0.353 ppm2      1.350 CV     1
 ASSI {  794}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 14   and name HD2%)
      2.300     0.700     0.700 peak   794 spectrum    1 weight  0.10000E+01 volume  0.72195E-02 ppm1      0.757 ppm2      0.877 CV     1
 ASSI {  795}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 26   and name HG  ))
      2.200     0.600     0.600 peak   795 spectrum    1 weight  0.10000E+01 volume  0.72099E-02 ppm1      0.689 ppm2      1.572 CV     1
 ASSI {  796}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 26   and name HB1 ))
      2.700     0.900     0.900 peak   796 spectrum    1 weight  0.10000E+01 volume  0.32323E-02 ppm1      0.688 ppm2      1.445 CV     1
 ASSI {  798}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 38   and name HG2%)
      2.600     0.900     0.900 peak   798 spectrum    1 weight  0.10000E+01 volume  0.47400E-02 ppm1      0.688 ppm2      1.048 CV     1
 ASSI {  800}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 14   and name HB2 ))
      2.500     0.800     0.800 peak   800 spectrum    1 weight  0.10000E+01 volume  0.37903E-02 ppm1      0.757 ppm2      1.442 CV     1
 ASSI {  803}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 31   and name HD2%)
      2.600     0.800     0.800 peak   803 spectrum    1 weight  0.10000E+01 volume  0.53516E-02 ppm1      1.381 ppm2      0.775 CV     1
 ASSI {  807}
   (  segid "    " and resid 15   and name HG2%)
   (  segid "    " and resid 26   and name HD2%)
      2.500     0.800     0.800 peak   807 spectrum    1 weight  0.10000E+01 volume  0.39210E-02 ppm1      1.110 ppm2      0.798 CV     1
 ASSI {  811}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 14   and name HG  ))
      2.200     0.600     0.600 peak   811 spectrum    1 weight  0.10000E+01 volume  0.68039E-02 ppm1      0.758 ppm2      1.882 CV     1
 ASSI {  812}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 82   and name HB1 ))
      3.400     1.500     1.500 peak   812 spectrum    1 weight  0.10000E+01 volume  0.24191E-02 ppm1      0.881 ppm2      2.007 CV     1
 ASSI {  813}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 4    and name HG  ))
      2.300     0.700     0.700 peak   813 spectrum    1 weight  0.10000E+01 volume  0.75857E-02 ppm1      0.881 ppm2      1.706 CV     1
 ASSI {  814}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 4    and name HB1 ))
      2.300     0.700     0.700 peak   814 spectrum    1 weight  0.10000E+01 volume  0.76178E-02 ppm1      0.880 ppm2      1.606 CV     1
 ASSI {  815}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 4    and name HB2 ))
      2.700     0.900     0.900 peak   815 spectrum    1 weight  0.10000E+01 volume  0.49331E-02 ppm1      0.880 ppm2      1.472 CV     1
 ASSI {  820}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 52   and name HG  ))
      2.200     0.600     0.600 peak   820 spectrum    1 weight  0.10000E+01 volume  0.86710E-02 ppm1      1.035 ppm2      2.026 CV     1
 ASSI {  821}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 10   and name HG  ))
      2.200     0.600     0.600 peak   821 spectrum    1 weight  0.10000E+01 volume  0.10661E-01 ppm1      1.044 ppm2      1.891 CV     1
 ASSI {  825}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 74   and name HB2 ))
      2.900     1.000     1.000 peak   825 spectrum    1 weight  0.10000E+01 volume  0.37377E-02 ppm1      1.133 ppm2      1.706 CV     1
 ASSI {  826}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 12   and name HB1 ))
      3.400     1.500     1.500 peak   826 spectrum    1 weight  0.10000E+01 volume  0.15212E-02 ppm1      1.109 ppm2      2.015 CV     1
 OR {  826}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 12   and name HB2 ))
 ASSI {  827}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 10   and name HB1 ))
      2.900     1.100     1.100 peak   827 spectrum    1 weight  0.10000E+01 volume  0.32425E-02 ppm1      1.043 ppm2      2.329 CV     1
 ASSI {  829}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 68   and name HB  ))
      2.000     0.500     0.500 peak   829 spectrum    1 weight  0.10000E+01 volume  0.11664E-01 ppm1      1.132 ppm2      2.412 CV     1
 ASSI {  830}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 73   and name HB2 ))
      2.900     1.100     1.100 peak   830 spectrum    1 weight  0.10000E+01 volume  0.32891E-02 ppm1      1.134 ppm2      2.274 CV     1
 ASSI {  831}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 15   and name HB  ))
      2.000     0.500     0.500 peak   831 spectrum    1 weight  0.10000E+01 volume  0.11285E-01 ppm1      1.110 ppm2      2.268 CV     1
 ASSI {  832}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 79   and name HB2 ))
      3.600     1.700     1.700 peak   832 spectrum    1 weight  0.10000E+01 volume  0.24817E-02 ppm1      0.881 ppm2      2.767 CV     1
 ASSI {  833}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 30   and name HB2 ))
      3.100     1.200     1.200 peak   833 spectrum    1 weight  0.10000E+01 volume  0.16767E-02 ppm1      0.690 ppm2      3.010 CV     1
 ASSI {  836}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 26   and name HA  ))
      2.100     0.600     0.600 peak   836 spectrum    1 weight  0.10000E+01 volume  0.10008E-01 ppm1      0.689 ppm2      4.361 CV     1
 ASSI {  837}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 30   and name HB1 ))
      3.100     1.200     1.200 peak   837 spectrum    1 weight  0.10000E+01 volume  0.25784E-02 ppm1      0.690 ppm2      3.293 CV     1
 ASSI {  840}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 52   and name HA  ))
      2.100     0.600     0.600 peak   840 spectrum    1 weight  0.10000E+01 volume  0.86710E-02 ppm1      1.033 ppm2      4.308 CV     1
 ASSI {  843}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 68   and name HA  ))
      2.200     0.600     0.600 peak   843 spectrum    1 weight  0.10000E+01 volume  0.72817E-02 ppm1      1.133 ppm2      4.437 CV     1
 ASSI {  844}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 74   and name HA  ))
      2.400     0.700     0.700 peak   844 spectrum    1 weight  0.10000E+01 volume  0.47543E-02 ppm1      1.131 ppm2      4.306 CV     1
 ASSI {  845}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 65   and name HA  ))
      3.300     1.300     1.300 peak   845 spectrum    1 weight  0.10000E+01 volume  0.17725E-02 ppm1      1.134 ppm2      3.970 CV     1
 ASSI {  846}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 74   and name HA  ))
      2.300     0.700     0.700 peak   846 spectrum    1 weight  0.10000E+01 volume  0.90231E-02 ppm1      1.064 ppm2      4.307 CV     1
 OR {  846}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 74   and name HA  ))
 ASSI {  847}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 12   and name HA  ))
      2.500     0.800     0.800 peak   847 spectrum    1 weight  0.10000E+01 volume  0.47517E-02 ppm1      1.110 ppm2      4.036 CV     1
 ASSI {  848}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 15   and name HA  ))
      2.300     0.700     0.700 peak   848 spectrum    1 weight  0.10000E+01 volume  0.86806E-02 ppm1      1.110 ppm2      3.936 CV     1
 ASSI {  849}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 7    and name HB  ))
      2.400     0.700     0.700 peak   849 spectrum    1 weight  0.10000E+01 volume  0.67975E-02 ppm1      1.381 ppm2      4.311 CV     1
 ASSI {  850}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 7    and name HA  ))
      2.600     0.800     0.800 peak   850 spectrum    1 weight  0.10000E+01 volume  0.51662E-02 ppm1      1.381 ppm2      3.864 CV     1
 ASSI {  851}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 79   and name HA  ))
      3.000     1.100     1.100 peak   851 spectrum    1 weight  0.10000E+01 volume  0.20985E-02 ppm1      0.881 ppm2      4.903 CV     1
 ASSI {  852}
   (  segid "    " and resid 52   and name HD2%)
   (  segid "    " and resid 56   and name HD% )
      3.200     1.300     1.300 peak   852 spectrum    1 weight  0.10000E+01 volume  0.27296E-02 ppm1      1.032 ppm2      7.437 CV     1
 ASSI {  853}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 30   and name HZ  ))
      2.900     1.000     1.000 peak   853 spectrum    1 weight  0.10000E+01 volume  0.32995E-02 ppm1      1.381 ppm2      7.324 CV     1
 OR {  853}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 30   and name HD% )
 ASSI {  854}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 30   and name HE% )
      2.700     0.900     0.900 peak   854 spectrum    1 weight  0.10000E+01 volume  0.35066E-02 ppm1      1.381 ppm2      7.207 CV     1
 ASSI {  855}
   (  segid "    " and resid 52   and name HD2%)
   (  segid "    " and resid 56   and name HE% )
      2.400     0.700     0.700 peak   855 spectrum    1 weight  0.10000E+01 volume  0.58490E-02 ppm1      1.035 ppm2      6.809 CV     1
 ASSI {  857}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 68   and name HN  ))
      2.500     0.800     0.800 peak   857 spectrum    1 weight  0.10000E+01 volume  0.37130E-02 ppm1      1.132 ppm2      7.268 CV     1
 ASSI {  858}
   (  segid "    " and resid 68   and name HG1%)
   (  segid "    " and resid 35   and name HE% )
      3.700     1.700     1.700 peak   858 spectrum    1 weight  0.10000E+01 volume  0.15597E-02 ppm1      1.133 ppm2      6.920 CV     1
 ASSI {  859}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 30   and name HD% )
      3.500     1.600     1.600 peak   859 spectrum    1 weight  0.10000E+01 volume  0.22649E-02 ppm1      0.689 ppm2      7.306 CV     1
 ASSI {  861}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 35   and name HE% )
      2.500     0.800     0.800 peak   861 spectrum    1 weight  0.10000E+01 volume  0.34646E-02 ppm1      0.757 ppm2      6.918 CV     1
 ASSI {  862}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 40   and name HE% )
      2.900     1.100     1.100 peak   862 spectrum    1 weight  0.10000E+01 volume  0.16510E-02 ppm1      0.757 ppm2      6.759 CV     1
 ASSI {  864}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 4    and name HN  ))
      3.900     1.900     1.900 peak   864 spectrum    1 weight  0.10000E+01 volume  0.13171E-02 ppm1      0.882 ppm2      8.142 CV     1
 ASSI {  866}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 26   and name HN  ))
      3.600     1.600     1.600 peak   866 spectrum    1 weight  0.10000E+01 volume  0.16724E-02 ppm1      0.688 ppm2      8.456 CV     1
 ASSI {  871}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 5    and name HN  ))
      3.900     1.900     1.900 peak   871 spectrum    1 weight  0.10000E+01 volume  0.17304E-02 ppm1      0.879 ppm2      9.429 CV     1
 ASSI {  872}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 69   and name HN  ))
      3.900     1.900     1.900 peak   872 spectrum    1 weight  0.10000E+01 volume  0.22583E-02 ppm1      1.132 ppm2      9.073 CV     1
 ASSI {  876}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 11   and name HN  ))
      4.200     2.200     1.800 peak   876 spectrum    1 weight  0.10000E+01 volume  0.55416E-03 ppm1      1.039 ppm2      8.838 CV     1
 ASSI {  877}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 8    and name HN  ))
      3.800     1.800     1.800 peak   877 spectrum    1 weight  0.10000E+01 volume  0.10525E-02 ppm1      1.381 ppm2      8.239 CV     1
 ASSI {  882}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 83   and name HN  ))
      3.500     1.500     1.500 peak   882 spectrum    1 weight  0.10000E+01 volume  0.12797E-02 ppm1      0.880 ppm2      7.962 CV     1
 ASSI {  883}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 79   and name HD22))
      4.200     2.200     1.800 peak   883 spectrum    1 weight  0.10000E+01 volume  0.53384E-03 ppm1      0.883 ppm2      7.669 CV     1
 ASSI {  884}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 79   and name HD21))
      4.200     2.200     1.800 peak   884 spectrum    1 weight  0.10000E+01 volume  0.58555E-03 ppm1      0.880 ppm2      7.327 CV     1
 ASSI {  885}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 30   and name HZ  ))
      3.900     1.900     1.900 peak   885 spectrum    1 weight  0.10000E+01 volume  0.77429E-03 ppm1      1.040 ppm2      7.327 CV     1
 OR {  885}
   (  segid "    " and resid 10   and name HD1%)
   (  segid "    " and resid 30   and name HD% )
 ASSI {  886}
   (  segid "    " and resid 10   and name HD1%)
   (  segid "    " and resid 30   and name HE% )
      3.700     1.700     1.700 peak   886 spectrum    1 weight  0.10000E+01 volume  0.59867E-03 ppm1      1.042 ppm2      7.212 CV     1
 ASSI {  887}
   (  segid "    " and resid 68   and name HG1%)
   (  segid "    " and resid 35   and name HD% )
      4.300     2.300     1.700 peak   887 spectrum    1 weight  0.10000E+01 volume  0.66839E-03 ppm1      1.132 ppm2      7.117 CV     1
 ASSI {  889}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 73   and name HN  ))
      5.400     3.600     0.600 peak   889 spectrum    1 weight  0.10000E+01 volume  0.44507E-03 ppm1      1.134 ppm2      7.830 CV     1
 ASSI {  890}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 74   and name HN  ))
      3.300     1.400     1.400 peak   890 spectrum    1 weight  0.10000E+01 volume  0.18942E-02 ppm1      1.132 ppm2      7.706 CV     1
 ASSI {  892}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 12   and name HN  ))
      3.500     1.500     1.500 peak   892 spectrum    1 weight  0.10000E+01 volume  0.38229E-03 ppm1      1.109 ppm2      7.961 CV     1
 ASSI {  895}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 40   and name HE% )
      3.700     1.700     1.700 peak   895 spectrum    1 weight  0.10000E+01 volume  0.69687E-03 ppm1      0.689 ppm2      6.759 CV     1
 ASSI {  896}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 35   and name HD% )
      3.300     1.400     1.400 peak   896 spectrum    1 weight  0.10000E+01 volume  0.80982E-03 ppm1      0.355 ppm2      7.114 CV     1
 ASSI {  897}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 40   and name HD% )
      3.900     1.900     1.900 peak   897 spectrum    1 weight  0.10000E+01 volume  0.95497E-03 ppm1      0.351 ppm2      6.959 CV     1
 ASSI {  899}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 35   and name HD% )
      3.400     1.400     1.400 peak   899 spectrum    1 weight  0.10000E+01 volume  0.90712E-03 ppm1      0.202 ppm2      7.110 CV     1
 ASSI {  901}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 30   and name HE% )
      4.700     2.800     1.300 peak   901 spectrum    1 weight  0.10000E+01 volume  0.28714E-03 ppm1      0.757 ppm2      7.209 CV     1
 ASSI {  902}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 35   and name HD% )
      4.100     2.100     1.900 peak   902 spectrum    1 weight  0.10000E+01 volume  0.52338E-03 ppm1      0.756 ppm2      7.110 CV     1
 ASSI {  905}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 35   and name HB1 ))
      3.600     1.600     1.600 peak   905 spectrum    1 weight  0.10000E+01 volume  0.72715E-03 ppm1      0.356 ppm2      3.584 CV     1
 ASSI {  906}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 35   and name HB1 ))
      3.900     1.900     1.900 peak   906 spectrum    1 weight  0.10000E+01 volume  0.49449E-03 ppm1      0.206 ppm2      3.587 CV     1
 ASSI {  910}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 11   and name HA  ))
      3.700     1.700     1.700 peak   910 spectrum    1 weight  0.10000E+01 volume  0.64992E-03 ppm1      1.112 ppm2      3.519 CV     1
 ASSI {  918}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 38   and name HB  ))
      3.700     1.800     1.800 peak   918 spectrum    1 weight  0.10000E+01 volume  0.81553E-03 ppm1      0.690 ppm2      2.455 CV     1
 ASSI {  919}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 79   and name HB1 ))
      3.100     1.200     1.200 peak   919 spectrum    1 weight  0.10000E+01 volume  0.11844E-02 ppm1      0.883 ppm2      3.088 CV     1
 ASSI {  920}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 55   and name HD1 ))
      4.300     2.300     1.700 peak   920 spectrum    1 weight  0.10000E+01 volume  0.47125E-03 ppm1      1.035 ppm2      3.093 CV     1
 ASSI {  922}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 11   and name HD1 ))
      4.000     2.000     2.000 peak   922 spectrum    1 weight  0.10000E+01 volume  0.76800E-03 ppm1      1.112 ppm2      3.194 CV     1
 OR {  922}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 11   and name HD2 ))
 ASSI {  924}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 67   and name HB2 ))
      3.300     1.400     1.400 peak   924 spectrum    1 weight  0.10000E+01 volume  0.10340E-02 ppm1      1.131 ppm2      1.872 CV     1
 ASSI {  926}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 77   and name HB1 ))
      4.300     2.400     1.700 peak   926 spectrum    1 weight  0.10000E+01 volume  0.14135E-02 ppm1      1.132 ppm2      2.046 CV     1
 ASSI {  928}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 72   and name HN  ))
      3.500     1.500     1.500 peak   928 spectrum    1 weight  0.10000E+01 volume  0.14381E-02 ppm1      0.454 ppm2      8.996 CV     1
 ASSI {  941}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 82   and name HN  ))
      3.500     1.500     1.500 peak   941 spectrum    1 weight  0.10000E+01 volume  0.15356E-02 ppm1      0.982 ppm2      8.278 CV     1
 ASSI {  943}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 43   and name HN  ))
      4.800     2.900     1.200 peak   943 spectrum    1 weight  0.10000E+01 volume  0.61592E-03 ppm1      1.054 ppm2      7.773 CV     1
 ASSI {  945}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 79   and name HD22))
      2.400     0.700     0.700 peak   945 spectrum    1 weight  0.10000E+01 volume  0.23704E-02 ppm1      0.792 ppm2      7.671 CV     1
 ASSI {  946}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 30   and name HN  ))
      3.700     1.700     1.700 peak   946 spectrum    1 weight  0.10000E+01 volume  0.82034E-03 ppm1      0.791 ppm2      8.060 CV     1
 ASSI {  948}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 31   and name HN  ))
      3.100     1.200     1.200 peak   948 spectrum    1 weight  0.10000E+01 volume  0.16044E-02 ppm1      0.455 ppm2      7.505 CV     1
 ASSI {  949}
   (  segid "    " and resid 31   and name HD1%)
   (  segid "    " and resid 30   and name HD% )
      3.000     1.100     1.100 peak   949 spectrum    1 weight  0.10000E+01 volume  0.22371E-02 ppm1      0.454 ppm2      7.322 CV     1
 OR {  949}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 30   and name HZ  ))
 ASSI {  950}
   (  segid "    " and resid 31   and name HD1%)
   (  segid "    " and resid 30   and name HE% )
      3.000     1.100     1.100 peak   950 spectrum    1 weight  0.10000E+01 volume  0.22225E-02 ppm1      0.455 ppm2      7.211 CV     1
 ASSI {  951}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 35   and name HE% )
      3.300     1.400     1.400 peak   951 spectrum    1 weight  0.10000E+01 volume  0.10657E-02 ppm1      0.355 ppm2      6.914 CV     1
 ASSI {  953}
   (  segid "    " and resid 82   and name HD2%)
   (  segid "    " and resid 56   and name HD% )
      3.600     1.600     1.600 peak   953 spectrum    1 weight  0.10000E+01 volume  0.11837E-02 ppm1      0.983 ppm2      7.437 CV     1
 ASSI {  954}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 82   and name HA  ))
      1.900     0.500     0.500 peak   954 spectrum    1 weight  0.10000E+01 volume  0.12644E-01 ppm1      0.983 ppm2      4.210 CV     1
 ASSI {  956}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 56   and name HA  ))
      4.600     2.600     1.400 peak   956 spectrum    1 weight  0.10000E+01 volume  0.71637E-03 ppm1      0.984 ppm2      4.680 CV     1
 ASSI {  961}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 75   and name HA  ))
      2.100     0.600     0.600 peak   961 spectrum    1 weight  0.10000E+01 volume  0.84702E-02 ppm1      0.792 ppm2      3.883 CV     1
 ASSI {  965}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 72   and name HA  ))
      2.700     0.900     0.900 peak   965 spectrum    1 weight  0.10000E+01 volume  0.37854E-02 ppm1      0.454 ppm2      3.604 CV     1
 ASSI {  967}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 31   and name HA  ))
      2.300     0.700     0.700 peak   967 spectrum    1 weight  0.10000E+01 volume  0.79064E-02 ppm1      0.455 ppm2      3.306 CV     1
 ASSI {  968}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 46   and name HG2 ))
      3.800     1.800     1.800 peak   968 spectrum    1 weight  0.10000E+01 volume  0.77371E-03 ppm1      0.358 ppm2      2.766 CV     1
 ASSI {  970}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 56   and name HB2 ))
      3.000     1.100     1.100 peak   970 spectrum    1 weight  0.10000E+01 volume  0.12135E-02 ppm1      0.983 ppm2      2.778 CV     1
 ASSI {  971}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 56   and name HB1 ))
      2.400     0.700     0.700 peak   971 spectrum    1 weight  0.10000E+01 volume  0.24484E-02 ppm1      0.983 ppm2      3.454 CV     1
 ASSI {  973}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 75   and name HB1 ))
      3.600     1.700     1.700 peak   973 spectrum    1 weight  0.10000E+01 volume  0.17527E-02 ppm1      0.792 ppm2      2.195 CV     1
 ASSI {  974}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 71   and name HB1 ))
      3.500     1.600     1.600 peak   974 spectrum    1 weight  0.10000E+01 volume  0.22158E-02 ppm1      0.455 ppm2      2.228 CV     1
 ASSI {  975}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 71   and name HB2 ))
      2.600     0.800     0.800 peak   975 spectrum    1 weight  0.10000E+01 volume  0.29619E-02 ppm1      0.456 ppm2      2.015 CV     1
 ASSI {  982}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 45   and name HB1 ))
      2.700     0.900     0.900 peak   982 spectrum    1 weight  0.10000E+01 volume  0.23737E-02 ppm1      0.357 ppm2      1.626 CV     1
 ASSI {  983}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 45   and name HB2 ))
      2.600     0.900     0.900 peak   983 spectrum    1 weight  0.10000E+01 volume  0.27922E-02 ppm1      0.356 ppm2      1.514 CV     1
 ASSI {  985}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 31   and name HG  ))
      2.500     0.800     0.800 peak   985 spectrum    1 weight  0.10000E+01 volume  0.49415E-02 ppm1      0.454 ppm2      1.191 CV     1
 ASSI {  986}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 31   and name HB2 ))
      2.800     0.900     0.900 peak   986 spectrum    1 weight  0.10000E+01 volume  0.45214E-02 ppm1      0.455 ppm2      1.030 CV     1
 ASSI {  989}
   (  segid "    " and resid 31   and name HD1%)
   (  segid "    " and resid 31   and name HD2%)
      2.200     0.600     0.600 peak   989 spectrum    1 weight  0.10000E+01 volume  0.13630E-01 ppm1      0.455 ppm2      0.783 CV     1
 ASSI {  995}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 75   and name HG  ))
      2.700     0.900     0.900 peak   995 spectrum    1 weight  0.10000E+01 volume  0.24242E-02 ppm1      0.789 ppm2      1.680 CV     1
 ASSI {  997}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 43   and name HG  ))
      2.600     0.800     0.800 peak   997 spectrum    1 weight  0.10000E+01 volume  0.46704E-02 ppm1      1.004 ppm2      1.730 CV     1
 ASSI {  999}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 43   and name HB1 ))
      2.900     1.000     1.000 peak   999 spectrum    1 weight  0.10000E+01 volume  0.24906E-02 ppm1      1.007 ppm2      1.878 CV     1
 ASSI { 1000}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 43   and name HB2 ))
      2.700     0.900     0.900 peak  1000 spectrum    1 weight  0.10000E+01 volume  0.43846E-02 ppm1      1.007 ppm2      1.828 CV     1
 ASSI { 1001}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 82   and name HB1 ))
      2.800     1.000     1.000 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.20568E-02 ppm1      0.984 ppm2      2.003 CV     1
 ASSI { 1002}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 82   and name HG  ))
      2.100     0.500     0.500 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.64595E-02 ppm1      0.982 ppm2      1.836 CV     1
 ASSI { 1003}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 43   and name HA  ))
      2.700     0.900     0.900 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.44704E-02 ppm1      1.055 ppm2      4.267 CV     1
 ASSI { 1008}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 5    and name HG  ))
      2.200     0.600     0.600 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.86203E-02 ppm1      0.604 ppm2      1.567 CV     1
 OR { 1008}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 5    and name HB1 ))
 ASSI { 1009}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 5    and name HB2 ))
      3.200     1.300     1.300 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.27854E-02 ppm1      0.642 ppm2      1.372 CV     1
 ASSI { 1010}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 5    and name HB2 ))
      2.700     0.900     0.900 peak  1010 spectrum    1 weight  0.10000E+01 volume  0.28243E-02 ppm1      0.604 ppm2      1.356 CV     1
 ASSI { 1011}
   (  segid "    " and resid 33   and name HD2%)
   (  segid "    " and resid 26   and name HD1%)
      2.800     1.000     1.000 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.13617E-02 ppm1      1.061 ppm2      0.690 CV     1
 ASSI { 1012}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 33   and name HB2 ))
      2.900     1.100     1.100 peak  1012 spectrum    1 weight  0.10000E+01 volume  0.27380E-02 ppm1      1.059 ppm2      1.414 CV     1
 ASSI { 1014}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 82   and name HD1%)
      2.600     0.800     0.800 peak  1014 spectrum    1 weight  0.10000E+01 volume  0.66275E-02 ppm1      0.643 ppm2      1.001 CV     1
 OR { 1014}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 82   and name HD2%)
 ASSI { 1023}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 82   and name HG  ))
      2.400     0.700     0.700 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.35647E-02 ppm1      0.977 ppm2      1.848 CV     1
 ASSI { 1024}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 82   and name HB1 ))
      2.700     0.900     0.900 peak  1024 spectrum    1 weight  0.10000E+01 volume  0.26544E-02 ppm1      0.977 ppm2      2.012 CV     1
 ASSI { 1025}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 33   and name HG  ))
      2.500     0.800     0.800 peak  1025 spectrum    1 weight  0.10000E+01 volume  0.51660E-02 ppm1      1.055 ppm2      1.781 CV     1
 OR { 1025}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 33   and name HB1 ))
 ASSI { 1027}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 31   and name HG  ))
      2.600     0.900     0.900 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.33989E-02 ppm1      0.778 ppm2      1.198 CV     1
 ASSI { 1028}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 78   and name HB  ))
      3.100     1.200     1.200 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.14808E-02 ppm1      0.604 ppm2      1.931 CV     1
 ASSI { 1032}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 5    and name HA  ))
      2.600     0.900     0.900 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.28242E-02 ppm1      0.644 ppm2      4.525 CV     1
 ASSI { 1033}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 5    and name HA  ))
      3.500     1.600     1.600 peak  1033 spectrum    1 weight  0.10000E+01 volume  0.23005E-02 ppm1      0.607 ppm2      4.525 CV     1
 ASSI { 1037}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 9    and name HB2 ))
      3.200     1.300     1.300 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.22053E-02 ppm1      0.643 ppm2      2.700 CV     1
 ASSI { 1039}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 65   and name HA  ))
      2.800     1.000     1.000 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.32513E-02 ppm1      0.954 ppm2      3.968 CV     1
 ASSI { 1040}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 4    and name HA  ))
      2.700     0.900     0.900 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.22313E-02 ppm1      0.979 ppm2      4.360 CV     1
 ASSI { 1042}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 77   and name HA  ))
      2.400     0.700     0.700 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.61613E-02 ppm1      0.954 ppm2      4.274 CV     1
 OR { 1042}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 77   and name HA  ))
 ASSI { 1043}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 79   and name HA  ))
      3.000     1.100     1.100 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.20480E-02 ppm1      0.980 ppm2      4.903 CV     1
 ASSI { 1048}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 56   and name HD% )
      3.600     1.600     1.600 peak  1048 spectrum    1 weight  0.10000E+01 volume  0.11469E-02 ppm1      0.644 ppm2      7.437 CV     1
 ASSI { 1049}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 56   and name HE% )
      2.900     1.000     1.000 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.19534E-02 ppm1      0.643 ppm2      6.808 CV     1
 ASSI { 1050}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 56   and name HE% )
      3.500     1.500     1.500 peak  1050 spectrum    1 weight  0.10000E+01 volume  0.11516E-02 ppm1      0.607 ppm2      6.810 CV     1
 ASSI { 1052}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 5    and name HN  ))
      3.200     1.300     1.300 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.10813E-02 ppm1      0.980 ppm2      9.428 CV     1
 ASSI { 1053}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 82   and name HN  ))
      4.100     2.100     1.900 peak  1053 spectrum    1 weight  0.10000E+01 volume  0.11654E-02 ppm1      0.978 ppm2      8.275 CV     1
 ASSI { 1054}
   (  segid "    " and resid 33   and name HD2%)
   (  segid "    " and resid 30   and name HD% )
      3.300     3.300     2.700 peak  1054 spectrum    1 weight  0.10000E+01 volume  0.52865E-03 ppm1      1.061 ppm2      7.304 CV     1
 ASSI { 1057}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 34   and name HN  ))
      3.500     1.500     1.500 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.34216E-03 ppm1      1.060 ppm2      8.463 CV     1
 ASSI { 1059}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 56   and name HD% )
      3.700     1.800     1.800 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.70406E-03 ppm1      0.603 ppm2      7.437 CV     1
 ASSI { 1072}
   (  segid "    " and resid 82   and name HD1%)
   (  segid "    " and resid 56   and name HD% )
      3.300     1.400     1.400 peak  1072 spectrum    1 weight  0.10000E+01 volume  0.82797E-03 ppm1      0.978 ppm2      7.439 CV     1
 ASSI { 1078}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 11   and name HA  ))
      3.700     1.700     1.700 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.79558E-03 ppm1      0.799 ppm2      3.520 CV     1
 ASSI { 1079}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 72   and name HA  ))
      3.700     1.700     1.700 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.10097E-02 ppm1      0.779 ppm2      3.607 CV     1
 ASSI { 1081}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 56   and name HB1 ))
      3.900     1.900     1.900 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.60361E-03 ppm1      0.981 ppm2      3.456 CV     1
 ASSI { 1086}
   (  segid "    " and resid 77   and name HD1%)
   (  segid "    " and resid 45   and name HD2%)
      5.900     4.300     0.100 peak  1086 spectrum    1 weight  0.10000E+01 volume  0.15456E-04 ppm1      0.973 ppm2      0.359 CV     1
 OR { 1086}
   (  segid "    " and resid 77   and name HD2%)
   (  segid "    " and resid 45   and name HD2%)
 ASSI { 1087}
   (( segid "    " and resid 74   and name HG  ))
   (  segid "    " and resid 45   and name HD1%)
      3.500     1.500     1.500 peak  1087 spectrum    1 weight  0.10000E+01 volume  0.77467E-03 ppm1      0.975 ppm2      0.221 CV     1
 ASSI { 1088}
   (  segid "    " and resid 82   and name HD1%)
   (  segid "    " and resid 5    and name HD2%)
      3.000     1.200     1.200 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.24789E-02 ppm1      0.979 ppm2      0.633 CV     1
 OR { 1088}
   (  segid "    " and resid 82   and name HD1%)
   (  segid "    " and resid 5    and name HD1%)
 ASSI { 1090}
   (( segid "    " and resid 74   and name HG  ))
   (( segid "    " and resid 74   and name HB1 ))
      3.000     1.100     1.100 peak  1090 spectrum    1 weight  0.10000E+01 volume  0.23918E-02 ppm1      0.975 ppm2      2.421 CV     1
 ASSI { 1091}
   (  segid "    " and resid 14   and name HD2%)
   (  segid "    " and resid 30   and name HE% )
      2.900     1.100     1.100 peak  1091 spectrum    1 weight  0.10000E+01 volume  0.20577E-02 ppm1      0.891 ppm2      7.211 CV     1
 ASSI { 1092}
   (  segid "    " and resid 14   and name HD2%)
   (  segid "    " and resid 35   and name HD% )
      4.300     2.300     1.700 peak  1092 spectrum    1 weight  0.10000E+01 volume  0.39978E-03 ppm1      0.887 ppm2      7.100 CV     1
 ASSI { 1094}
   (  segid "    " and resid 52   and name HD1%)
   (  segid "    " and resid 56   and name HD% )
      4.700     2.700     1.300 peak  1094 spectrum    1 weight  0.10000E+01 volume  0.49054E-03 ppm1      0.862 ppm2      7.439 CV     1
 ASSI { 1097}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 52   and name HN  ))
      3.600     1.600     1.600 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.25711E-02 ppm1      0.863 ppm2      8.402 CV     1
 ASSI { 1100}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 79   and name HD22))
      3.500     1.600     1.600 peak  1100 spectrum    1 weight  0.10000E+01 volume  0.21097E-02 ppm1      0.872 ppm2      7.675 CV     1
 ASSI { 1101}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 53   and name HN  ))
      4.800     2.800     1.200 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.54280E-03 ppm1      0.863 ppm2      8.993 CV     1
 ASSI { 1104}
   (( segid "    " and resid 60   and name HG12))
   (( segid "    " and resid 60   and name HN  ))
      3.300     1.300     1.300 peak  1104 spectrum    1 weight  0.10000E+01 volume  0.11897E-02 ppm1      1.106 ppm2      8.118 CV     1
 ASSI { 1105}
   (( segid "    " and resid 55   and name HG2 ))
   (( segid "    " and resid 55   and name HN  ))
      4.300     2.300     1.700 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.74459E-03 ppm1      0.989 ppm2      8.080 CV     1
 ASSI { 1106}
   (( segid "    " and resid 74   and name HG  ))
   (( segid "    " and resid 74   and name HN  ))
      4.500     2.600     1.500 peak  1106 spectrum    1 weight  0.10000E+01 volume  0.73760E-03 ppm1      0.971 ppm2      7.707 CV     1
 ASSI { 1108}
   (( segid "    " and resid 60   and name HG11))
   (( segid "    " and resid 60   and name HN  ))
      3.500     1.500     1.500 peak  1108 spectrum    1 weight  0.10000E+01 volume  0.13086E-02 ppm1      1.470 ppm2      8.117 CV     1
 ASSI { 1117}
   (( segid "    " and resid 52   and name HG  ))
   (( segid "    " and resid 52   and name HN  ))
      2.500     0.800     0.800 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.30682E-02 ppm1      2.035 ppm2      8.402 CV     1
 ASSI { 1118}
   (( segid "    " and resid 43   and name HG  ))
   (( segid "    " and resid 43   and name HN  ))
      4.000     2.000     2.000 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.19936E-02 ppm1      1.733 ppm2      7.765 CV     1
 ASSI { 1122}
   (( segid "    " and resid 75   and name HG  ))
   (( segid "    " and resid 79   and name HD22))
      3.200     1.300     1.300 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.10137E-02 ppm1      1.684 ppm2      7.669 CV     1
 ASSI { 1124}
   (( segid "    " and resid 71   and name HG1 ))
   (  segid "    " and resid 30   and name HE% )
      4.500     2.500     1.500 peak  1124 spectrum    1 weight  0.10000E+01 volume  0.66410E-03 ppm1      2.171 ppm2      7.207 CV     1
 ASSI { 1125}
   (( segid "    " and resid 71   and name HG1 ))
   (  segid "    " and resid 35   and name HE% )
      3.100     1.200     1.200 peak  1125 spectrum    1 weight  0.10000E+01 volume  0.87582E-03 ppm1      2.171 ppm2      6.912 CV     1
 OR { 1125}
   (( segid "    " and resid 71   and name HG1 ))
   (( segid "    " and resid 35   and name HZ  ))
 ASSI { 1126}
   (( segid "    " and resid 38   and name HG11))
   (  segid "    " and resid 35   and name HD% )
      4.000     2.000     2.000 peak  1126 spectrum    1 weight  0.10000E+01 volume  0.57013E-03 ppm1      1.824 ppm2      7.106 CV     1
 ASSI { 1128}
   (( segid "    " and resid 33   and name HG  ))
   (( segid "    " and resid 33   and name HN  ))
      3.100     1.200     1.200 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.23991E-02 ppm1      1.778 ppm2      7.207 CV     1
 ASSI { 1129}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HN  ))
      3.500     1.600     1.600 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.13335E-02 ppm1      1.745 ppm2      7.451 CV     1
 OR { 1129}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HN  ))
 ASSI { 1130}
   (( segid "    " and resid 75   and name HG  ))
   (( segid "    " and resid 79   and name HD21))
      3.800     1.800     1.800 peak  1130 spectrum    1 weight  0.10000E+01 volume  0.90917E-03 ppm1      1.687 ppm2      7.320 CV     1
 ASSI { 1131}
   (( segid "    " and resid 38   and name HG12))
   (  segid "    " and resid 35   and name HD% )
      4.400     2.400     1.600 peak  1131 spectrum    1 weight  0.10000E+01 volume  0.44181E-03 ppm1      1.537 ppm2      7.105 CV     1
 ASSI { 1132}
   (( segid "    " and resid 38   and name HG12))
   (  segid "    " and resid 40   and name HD% )
      4.200     2.200     1.800 peak  1132 spectrum    1 weight  0.10000E+01 volume  0.10752E-02 ppm1      1.534 ppm2      6.965 CV     1
 ASSI { 1135}
   (( segid "    " and resid 31   and name HG  ))
   (( segid "    " and resid 31   and name HN  ))
      2.900     1.100     1.100 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.37323E-02 ppm1      1.200 ppm2      7.507 CV     1
 ASSI { 1136}
   (( segid "    " and resid 74   and name HG  ))
   (( segid "    " and resid 35   and name HZ  ))
      3.100     3.100     2.900 peak  1136 spectrum    1 weight  0.10000E+01 volume  0.24960E-02 ppm1      0.976 ppm2      6.887 CV     1
 ASSI { 1137}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 30   and name HE% )
      4.500     2.500     1.500 peak  1137 spectrum    1 weight  0.10000E+01 volume  0.43606E-03 ppm1      1.295 ppm2      7.200 CV     1
 ASSI { 1138}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 35   and name HE% )
      4.200     2.200     1.800 peak  1138 spectrum    1 weight  0.10000E+01 volume  0.10626E-02 ppm1      1.298 ppm2      6.908 CV     1
 OR { 1138}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 35   and name HZ  ))
 ASSI { 1139}
   (( segid "    " and resid 38   and name HG12))
   (( segid "    " and resid 38   and name HA  ))
      4.100     2.100     1.900 peak  1139 spectrum    1 weight  0.10000E+01 volume  0.61495E-03 ppm1      1.539 ppm2      4.671 CV     1
 ASSI { 1141}
   (( segid "    " and resid 60   and name HG11))
   (( segid "    " and resid 60   and name HA  ))
      3.500     1.500     1.500 peak  1141 spectrum    1 weight  0.10000E+01 volume  0.14060E-02 ppm1      1.470 ppm2      4.660 CV     1
 ASSI { 1143}
   (( segid "    " and resid 60   and name HG12))
   (( segid "    " and resid 60   and name HA  ))
      2.900     1.000     1.000 peak  1143 spectrum    1 weight  0.10000E+01 volume  0.15591E-02 ppm1      1.106 ppm2      4.662 CV     1
 ASSI { 1145}
   (( segid "    " and resid 55   and name HG1 ))
   (( segid "    " and resid 55   and name HA  ))
      2.800     1.000     1.000 peak  1145 spectrum    1 weight  0.10000E+01 volume  0.31373E-02 ppm1      1.362 ppm2      4.092 CV     1
 ASSI { 1147}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 71   and name HA  ))
      3.900     1.900     1.900 peak  1147 spectrum    1 weight  0.10000E+01 volume  0.11925E-02 ppm1      1.300 ppm2      4.228 CV     1
 ASSI { 1152}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 76   and name HA  ))
      4.100     2.100     1.900 peak  1152 spectrum    1 weight  0.10000E+01 volume  0.88730E-03 ppm1      0.871 ppm2      4.487 CV     1
 ASSI { 1153}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 52   and name HA  ))
      4.000     2.000     2.000 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.18407E-02 ppm1      0.865 ppm2      4.308 CV     1
 ASSI { 1155}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 49   and name HA  ))
      2.800     1.000     1.000 peak  1155 spectrum    1 weight  0.10000E+01 volume  0.26697E-02 ppm1      0.865 ppm2      3.935 CV     1
 ASSI { 1157}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 26   and name HA  ))
      3.600     1.600     1.600 peak  1157 spectrum    1 weight  0.10000E+01 volume  0.12944E-02 ppm1      0.797 ppm2      4.365 CV     1
 ASSI { 1158}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 11   and name HA  ))
      3.100     1.200     1.200 peak  1158 spectrum    1 weight  0.10000E+01 volume  0.17245E-02 ppm1      0.892 ppm2      3.522 CV     1
 ASSI { 1159}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 72   and name HA  ))
      3.300     1.400     1.400 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.15628E-02 ppm1      0.873 ppm2      3.606 CV     1
 ASSI { 1161}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 11   and name HA  ))
      3.400     1.500     1.500 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.12595E-02 ppm1      1.163 ppm2      3.518 CV     1
 ASSI { 1166}
   (( segid "    " and resid 43   and name HG  ))
   (( segid "    " and resid 43   and name HA  ))
      3.300     1.300     1.300 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.14114E-02 ppm1      1.719 ppm2      4.279 CV     1
 ASSI { 1169}
   (( segid "    " and resid 33   and name HG  ))
   (( segid "    " and resid 30   and name HA  ))
      3.500     1.600     1.600 peak  1169 spectrum    1 weight  0.10000E+01 volume  0.11532E-02 ppm1      1.778 ppm2      4.740 CV     1
 ASSI { 1172}
   (( segid "    " and resid 75   and name HG  ))
   (( segid "    " and resid 75   and name HA  ))
      3.500     1.500     1.500 peak  1172 spectrum    1 weight  0.10000E+01 volume  0.11086E-02 ppm1      1.689 ppm2      3.886 CV     1
 ASSI { 1173}
   (( segid "    " and resid 52   and name HG  ))
   (( segid "    " and resid 52   and name HA  ))
      3.400     1.500     1.500 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.10698E-02 ppm1      2.032 ppm2      4.305 CV     1
 ASSI { 1174}
   (( segid "    " and resid 71   and name HG1 ))
   (( segid "    " and resid 71   and name HA  ))
      3.400     1.500     1.500 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.70431E-03 ppm1      2.165 ppm2      4.228 CV     1
 ASSI { 1175}
   (( segid "    " and resid 71   and name HG1 ))
   (( segid "    " and resid 71   and name HD1 ))
      2.500     0.800     0.800 peak  1175 spectrum    1 weight  0.10000E+01 volume  0.19315E-02 ppm1      2.169 ppm2      4.022 CV     1
 ASSI { 1180}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HD2 ))
      2.600     0.800     0.800 peak  1180 spectrum    1 weight  0.10000E+01 volume  0.39377E-02 ppm1      1.750 ppm2      3.267 CV     1
 OR { 1180}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HD1 ))
 OR { 1180}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HD1 ))
 OR { 1180}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HD2 ))
 ASSI { 1187}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 46   and name HG2 ))
      3.900     1.900     1.900 peak  1187 spectrum    1 weight  0.10000E+01 volume  0.56116E-03 ppm1      1.344 ppm2      2.766 CV     1
 ASSI { 1190}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 71   and name HG1 ))
      1.800     0.400     0.400 peak  1190 spectrum    1 weight  0.10000E+01 volume  0.61867E-02 ppm1      1.298 ppm2      2.176 CV     1
 ASSI { 1191}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 71   and name HB2 ))
      2.600     0.800     0.800 peak  1191 spectrum    1 weight  0.10000E+01 volume  0.16654E-02 ppm1      1.296 ppm2      2.008 CV     1
 ASSI { 1192}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 11   and name HD2 ))
      2.700     0.900     0.900 peak  1192 spectrum    1 weight  0.10000E+01 volume  0.24958E-02 ppm1      1.399 ppm2      3.200 CV     1
 OR { 1192}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 11   and name HD1 ))
 ASSI { 1193}
   (( segid "    " and resid 55   and name HG1 ))
   (( segid "    " and resid 55   and name HD1 ))
      3.100     1.200     1.200 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.19389E-02 ppm1      1.363 ppm2      3.092 CV     1
 ASSI { 1194}
   (( segid "    " and resid 55   and name HG1 ))
   (( segid "    " and resid 55   and name HD2 ))
      2.900     1.000     1.000 peak  1194 spectrum    1 weight  0.10000E+01 volume  0.20093E-02 ppm1      1.363 ppm2      3.015 CV     1
 ASSI { 1195}
   (( segid "    " and resid 31   and name HG  ))
   (( segid "    " and resid 31   and name HA  ))
      3.400     1.400     1.400 peak  1195 spectrum    1 weight  0.10000E+01 volume  0.11228E-02 ppm1      1.197 ppm2      3.304 CV     1
 ASSI { 1200}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 14   and name HB1 ))
      2.500     0.800     0.800 peak  1200 spectrum    1 weight  0.10000E+01 volume  0.39657E-02 ppm1      0.890 ppm2      1.979 CV     1
 ASSI { 1201}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 14   and name HG  ))
      2.100     0.600     0.600 peak  1201 spectrum    1 weight  0.10000E+01 volume  0.10150E-01 ppm1      0.891 ppm2      1.883 CV     1
 ASSI { 1203}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 52   and name HG  ))
      2.100     0.600     0.600 peak  1203 spectrum    1 weight  0.10000E+01 volume  0.99403E-02 ppm1      0.864 ppm2      2.033 CV     1
 ASSI { 1204}
   (( segid "    " and resid 60   and name HG12))
   (( segid "    " and resid 60   and name HB  ))
      3.100     1.200     1.200 peak  1204 spectrum    1 weight  0.10000E+01 volume  0.18395E-02 ppm1      1.108 ppm2      1.778 CV     1
 ASSI { 1209}
   (( segid "    " and resid 52   and name HG  ))
   (  segid "    " and resid 13   and name HB% )
      3.500     1.500     1.500 peak  1209 spectrum    1 weight  0.10000E+01 volume  0.94034E-03 ppm1      2.035 ppm2      1.666 CV     1
 ASSI { 1220}
   (( segid "    " and resid 4    and name HG  ))
   (  segid "    " and resid 75   and name HD1%)
      4.400     2.400     1.600 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.13029E-02 ppm1      1.701 ppm2      0.798 CV     1
 ASSI { 1221}
   (( segid "    " and resid 82   and name HG  ))
   (  segid "    " and resid 82   and name HD1%)
      2.300     0.600     0.600 peak  1221 spectrum    1 weight  0.10000E+01 volume  0.46999E-02 ppm1      1.849 ppm2      0.982 CV     1
 OR { 1221}
   (( segid "    " and resid 82   and name HG  ))
   (  segid "    " and resid 82   and name HD2%)
 ASSI { 1224}
   (( segid "    " and resid 33   and name HG  ))
   (  segid "    " and resid 33   and name HD2%)
      2.600     0.900     0.900 peak  1224 spectrum    1 weight  0.10000E+01 volume  0.38877E-02 ppm1      1.774 ppm2      1.063 CV     1
 ASSI { 1226}
   (( segid "    " and resid 33   and name HG  ))
   (  segid "    " and resid 33   and name HD1%)
      2.800     0.900     0.900 peak  1226 spectrum    1 weight  0.10000E+01 volume  0.28729E-02 ppm1      1.781 ppm2      0.955 CV     1
 ASSI { 1228}
   (( segid "    " and resid 75   and name HG  ))
   (  segid "    " and resid 10   and name HD2%)
      4.900     3.000     1.100 peak  1228 spectrum    1 weight  0.10000E+01 volume  0.40468E-03 ppm1      1.690 ppm2      1.121 CV     1
 ASSI { 1230}
   (( segid "    " and resid 75   and name HG  ))
   (  segid "    " and resid 75   and name HD2%)
      2.000     0.500     0.500 peak  1230 spectrum    1 weight  0.10000E+01 volume  0.18643E-01 ppm1      1.688 ppm2      0.871 CV     1
 ASSI { 1233}
   (( segid "    " and resid 4    and name HG  ))
   (( segid "    " and resid 4    and name HB2 ))
      2.300     0.700     0.700 peak  1233 spectrum    1 weight  0.10000E+01 volume  0.57038E-02 ppm1      1.706 ppm2      1.485 CV     1
 ASSI { 1235}
   (( segid "    " and resid 26   and name HG  ))
   (( segid "    " and resid 26   and name HB2 ))
      2.700     0.900     0.900 peak  1235 spectrum    1 weight  0.10000E+01 volume  0.22710E-02 ppm1      1.580 ppm2      1.247 CV     1
 ASSI { 1241}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 11   and name HG2 ))
      1.900     0.400     0.400 peak  1241 spectrum    1 weight  0.10000E+01 volume  0.64742E-02 ppm1      1.402 ppm2      1.161 CV     1
 ASSI { 1245}
   (( segid "    " and resid 38   and name HG12))
   (( segid "    " and resid 38   and name HG11))
      1.600     0.300     0.600 peak  1245 spectrum    1 weight  0.10000E+01 volume  0.11343E-01 ppm1      1.540 ppm2      1.826 CV     1
 ASSI { 1247}
   (( segid "    " and resid 60   and name HG12))
   (( segid "    " and resid 60   and name HG11))
      1.600     0.300     0.600 peak  1247 spectrum    1 weight  0.10000E+01 volume  0.16416E-01 ppm1      1.106 ppm2      1.472 CV     1
 ASSI { 1249}
   (( segid "    " and resid 31   and name HG  ))
   (( segid "    " and resid 31   and name HB2 ))
      2.600     0.900     0.900 peak  1249 spectrum    1 weight  0.10000E+01 volume  0.39056E-02 ppm1      1.201 ppm2      1.027 CV     1
 ASSI { 1255}
   (( segid "    " and resid 55   and name HG2 ))
   (( segid "    " and resid 55   and name HG1 ))
      1.800     0.400     0.400 peak  1255 spectrum    1 weight  0.10000E+01 volume  0.11723E-01 ppm1      0.987 ppm2      1.363 CV     1
 ASSI { 1257}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 26   and name HG  ))
      2.100     0.500     0.500 peak  1257 spectrum    1 weight  0.10000E+01 volume  0.10268E-01 ppm1      0.798 ppm2      1.577 CV     1
 ASSI { 1259}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 26   and name HB2 ))
      2.400     0.700     0.700 peak  1259 spectrum    1 weight  0.10000E+01 volume  0.38894E-02 ppm1      0.796 ppm2      1.228 CV     1
 ASSI { 1266}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 52   and name HB2 ))
      2.500     0.800     0.800 peak  1266 spectrum    1 weight  0.10000E+01 volume  0.49181E-02 ppm1      0.866 ppm2      1.455 CV     1
 ASSI { 1268}
   (  segid "    " and resid 75   and name HD2%)
   (  segid "    " and resid 31   and name HD1%)
      2.700     0.900     0.900 peak  1268 spectrum    1 weight  0.10000E+01 volume  0.34751E-02 ppm1      0.872 ppm2      0.449 CV     1
 ASSI { 1270}
   (( segid "    " and resid 55   and name HG2 ))
   (( segid "    " and resid 55   and name HB2 ))
      3.000     1.100     1.100 peak  1270 spectrum    1 weight  0.10000E+01 volume  0.32622E-02 ppm1      0.987 ppm2      1.611 CV     1
 ASSI { 1271}
   (( segid "    " and resid 74   and name HG  ))
   (  segid "    " and resid 45   and name HD2%)
      2.900     2.900     3.100 peak  1271 spectrum    1 weight  0.10000E+01 volume  0.11733E-02 ppm1      0.976 ppm2      0.358 CV     1
 ASSI { 1276}
   (( segid "    " and resid 4    and name HG  ))
   (  segid "    " and resid 4    and name HD2%)
      2.900     1.000     1.000 peak  1276 spectrum    1 weight  0.10000E+01 volume  0.20519E-02 ppm1      1.699 ppm2      0.980 CV     1
 ASSI { 1278}
   (( segid "    " and resid 52   and name HG  ))
   (  segid "    " and resid 48   and name HG2%)
      3.100     1.200     1.200 peak  1278 spectrum    1 weight  0.10000E+01 volume  0.11051E-02 ppm1      2.033 ppm2      1.125 CV     1
 ASSI { 1279}
   (( segid "    " and resid 52   and name HG  ))
   (( segid "    " and resid 52   and name HB2 ))
      2.700     0.900     0.900 peak  1279 spectrum    1 weight  0.10000E+01 volume  0.16627E-02 ppm1      2.034 ppm2      1.451 CV     1
 ASSI { 1280}
   (( segid "    " and resid 38   and name HG12))
   (  segid "    " and resid 38   and name HG2%)
      2.500     0.800     0.800 peak  1280 spectrum    1 weight  0.10000E+01 volume  0.36990E-02 ppm1      1.538 ppm2      1.057 CV     1
 ASSI { 1281}
   (( segid "    " and resid 82   and name HG  ))
   (( segid "    " and resid 79   and name HA  ))
      3.800     1.800     1.800 peak  1281 spectrum    1 weight  0.10000E+01 volume  0.53124E-03 ppm1      1.837 ppm2      4.906 CV     1
 ASSI { 1285}
   (( segid "    " and resid 10   and name HG  ))
   (( segid "    " and resid 30   and name HZ  ))
      4.000     2.000     2.000 peak  1285 spectrum    1 weight  0.10000E+01 volume  0.50469E-03 ppm1      1.886 ppm2      7.327 CV     1
 OR { 1285}
   (( segid "    " and resid 10   and name HG  ))
   (  segid "    " and resid 30   and name HD% )
 ASSI { 1286}
   (( segid "    " and resid 10   and name HG  ))
   (  segid "    " and resid 30   and name HE% )
      3.500     1.500     1.500 peak  1286 spectrum    1 weight  0.10000E+01 volume  0.70046E-03 ppm1      1.892 ppm2      7.212 CV     1
 ASSI { 1289}
   (  segid "    " and resid 26   and name HD2%)
   (  segid "    " and resid 30   and name HE% )
      4.900     3.000     1.100 peak  1289 spectrum    1 weight  0.10000E+01 volume  0.28121E-03 ppm1      0.794 ppm2      7.213 CV     1
 ASSI { 1290}
   (  segid "    " and resid 26   and name HD2%)
   (  segid "    " and resid 40   and name HD% )
      5.000     3.100     1.000 peak  1290 spectrum    1 weight  0.10000E+01 volume  0.14826E-03 ppm1      0.795 ppm2      6.953 CV     1
 ASSI { 1291}
   (( segid "    " and resid 38   and name HG12))
   (( segid "    " and resid 40   and name HN  ))
      4.400     2.400     1.600 peak  1291 spectrum    1 weight  0.10000E+01 volume  0.44737E-03 ppm1      1.538 ppm2      8.064 CV     1
 ASSI { 1292}
   (( segid "    " and resid 4    and name HG  ))
   (( segid "    " and resid 5    and name HN  ))
      4.700     2.700     1.300 peak  1292 spectrum    1 weight  0.10000E+01 volume  0.73465E-03 ppm1      1.710 ppm2      9.430 CV     1
 ASSI { 1293}
   (( segid "    " and resid 5    and name HG  ))
   (( segid "    " and resid 5    and name HN  ))
      2.800     1.000     1.000 peak  1293 spectrum    1 weight  0.10000E+01 volume  0.14846E-02 ppm1      1.560 ppm2      9.429 CV     1
 ASSI { 1294}
   (( segid "    " and resid 72   and name HG1 ))
   (( segid "    " and resid 72   and name HE  ))
      3.700     1.700     1.700 peak  1294 spectrum    1 weight  0.10000E+01 volume  0.42846E-03 ppm1      1.648 ppm2      9.067 CV     1
 ASSI { 1296}
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 62   and name HN  ))
      5.300     3.500     0.700 peak  1296 spectrum    1 weight  0.10000E+01 volume  0.45778E-03 ppm1      2.145 ppm2      8.837 CV     1
 OR { 1296}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 62   and name HN  ))
 ASSI { 1300}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 75   and name HN  ))
      3.300     1.400     1.400 peak  1300 spectrum    1 weight  0.10000E+01 volume  0.17925E-02 ppm1      1.123 ppm2      8.722 CV     1
 ASSI { 1302}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 51   and name HN  ))
      4.500     2.500     1.500 peak  1302 spectrum    1 weight  0.10000E+01 volume  0.64947E-03 ppm1      1.734 ppm2      8.104 CV     1
 ASSI { 1303}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 34   and name HE  ))
      3.900     1.900     1.900 peak  1303 spectrum    1 weight  0.10000E+01 volume  0.43121E-03 ppm1      1.623 ppm2      7.985 CV     1
 ASSI { 1304}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 12   and name HN  ))
      3.100     1.200     1.200 peak  1304 spectrum    1 weight  0.10000E+01 volume  0.92707E-03 ppm1      1.690 ppm2      7.969 CV     1
 ASSI { 1305}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 51   and name HN  ))
      3.800     1.800     1.800 peak  1305 spectrum    1 weight  0.10000E+01 volume  0.15715E-02 ppm1      1.976 ppm2      8.105 CV     1
 ASSI { 1308}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 64   and name HN  ))
      5.100     3.200     0.900 peak  1308 spectrum    1 weight  0.10000E+01 volume  0.55857E-03 ppm1      2.122 ppm2      7.396 CV     1
 OR { 1308}
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 64   and name HN  ))
 ASSI { 1309}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 51   and name HE  ))
      3.800     1.800     1.800 peak  1309 spectrum    1 weight  0.10000E+01 volume  0.42699E-03 ppm1      1.969 ppm2      7.551 CV     1
 ASSI { 1310}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 37   and name HN  ))
      5.000     3.100     1.000 peak  1310 spectrum    1 weight  0.10000E+01 volume  0.51354E-03 ppm1      1.621 ppm2      7.574 CV     1
 ASSI { 1312}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 30   and name HZ  ))
      3.200     1.300     1.300 peak  1312 spectrum    1 weight  0.10000E+01 volume  0.18868E-02 ppm1      1.124 ppm2      7.330 CV     1
 ASSI { 1313}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 30   and name HE% )
      2.900     1.000     1.000 peak  1313 spectrum    1 weight  0.10000E+01 volume  0.24234E-02 ppm1      1.124 ppm2      7.211 CV     1
 ASSI { 1315}
   (( segid "    " and resid 11   and name HG2 ))
   (  segid "    " and resid 30   and name HE% )
      5.000     3.200     1.000 peak  1315 spectrum    1 weight  0.10000E+01 volume  0.37683E-03 ppm1      1.166 ppm2      7.218 CV     1
 ASSI { 1316}
   (( segid "    " and resid 72   and name HG1 ))
   (( segid "    " and resid 72   and name HH11))
      5.400     3.700     0.600 peak  1316 spectrum    1 weight  0.10000E+01 volume  0.42545E-03 ppm1      1.648 ppm2      6.895 CV     1
 OR { 1316}
   (( segid "    " and resid 72   and name HG1 ))
   (( segid "    " and resid 72   and name HH21))
 OR { 1316}
   (( segid "    " and resid 72   and name HG1 ))
   (( segid "    " and resid 72   and name HH12))
 OR { 1316}
   (( segid "    " and resid 72   and name HG1 ))
   (( segid "    " and resid 72   and name HH22))
 ASSI { 1322}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 72   and name HA  ))
      4.200     2.200     1.800 peak  1322 spectrum    1 weight  0.10000E+01 volume  0.40293E-03 ppm1      1.125 ppm2      3.599 CV     1
 ASSI { 1325}
   (( segid "    " and resid 72   and name HG2 ))
   (( segid "    " and resid 72   and name HA  ))
      3.400     1.400     1.400 peak  1325 spectrum    1 weight  0.10000E+01 volume  0.15781E-02 ppm1      1.509 ppm2      3.604 CV     1
 ASSI { 1331}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 12   and name HD1 ))
      2.600     0.900     0.900 peak  1331 spectrum    1 weight  0.10000E+01 volume  0.33876E-02 ppm1      1.689 ppm2      3.341 CV     1
 OR { 1331}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 12   and name HD2 ))
 ASSI { 1332}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 34   and name HD2 ))
      3.000     1.100     1.100 peak  1332 spectrum    1 weight  0.10000E+01 volume  0.17216E-02 ppm1      1.626 ppm2      3.343 CV     1
 ASSI { 1334}
   (( segid "    " and resid 72   and name HG1 ))
   (( segid "    " and resid 72   and name HA  ))
      2.900     1.000     1.000 peak  1334 spectrum    1 weight  0.10000E+01 volume  0.15891E-02 ppm1      1.651 ppm2      3.606 CV     1
 ASSI { 1335}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 12   and name HA  ))
      2.900     1.000     1.000 peak  1335 spectrum    1 weight  0.10000E+01 volume  0.22383E-02 ppm1      1.688 ppm2      4.031 CV     1
 ASSI { 1337}
   (( segid "    " and resid 5    and name HG  ))
   (( segid "    " and resid 5    and name HA  ))
      3.200     1.300     1.300 peak  1337 spectrum    1 weight  0.10000E+01 volume  0.15798E-02 ppm1      1.557 ppm2      4.523 CV     1
 ASSI { 1338}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 34   and name HA  ))
      3.100     1.200     1.200 peak  1338 spectrum    1 weight  0.10000E+01 volume  0.88916E-03 ppm1      1.624 ppm2      4.737 CV     1
 ASSI { 1340}
   (( segid "    " and resid 34   and name HG1 ))
   (( segid "    " and resid 33   and name HA  ))
      4.400     2.400     1.600 peak  1340 spectrum    1 weight  0.10000E+01 volume  0.34257E-03 ppm1      1.941 ppm2      4.308 CV     1
 ASSI { 1341}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 12   and name HA  ))
      3.500     1.500     1.500 peak  1341 spectrum    1 weight  0.10000E+01 volume  0.17928E-02 ppm1      1.914 ppm2      4.030 CV     1
 ASSI { 1342}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 51   and name HA  ))
      2.900     1.100     1.100 peak  1342 spectrum    1 weight  0.10000E+01 volume  0.17623E-02 ppm1      1.976 ppm2      4.236 CV     1
 ASSI { 1343}
   (( segid "    " and resid 34   and name HG1 ))
   (( segid "    " and resid 34   and name HA  ))
      3.700     1.700     1.700 peak  1343 spectrum    1 weight  0.10000E+01 volume  0.79571E-03 ppm1      1.939 ppm2      4.739 CV     1
 ASSI { 1344}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 60   and name HA  ))
      4.700     2.800     1.300 peak  1344 spectrum    1 weight  0.10000E+01 volume  0.99262E-03 ppm1      2.144 ppm2      4.659 CV     1
 OR { 1344}
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 60   and name HA  ))
 ASSI { 1345}
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 61   and name HA  ))
      3.200     1.300     1.300 peak  1345 spectrum    1 weight  0.10000E+01 volume  0.20354E-02 ppm1      2.146 ppm2      4.527 CV     1
 OR { 1345}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 61   and name HA  ))
 ASSI { 1348}
   (( segid "    " and resid 34   and name HG1 ))
   (( segid "    " and resid 34   and name HD1 ))
      2.700     0.900     0.900 peak  1348 spectrum    1 weight  0.10000E+01 volume  0.27704E-02 ppm1      1.954 ppm2      3.443 CV     1
 ASSI { 1350}
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 61   and name HB1 ))
      2.400     0.700     0.700 peak  1350 spectrum    1 weight  0.10000E+01 volume  0.50499E-02 ppm1      2.139 ppm2      2.540 CV     1
 OR { 1350}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 61   and name HB1 ))
 ASSI { 1351}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 51   and name HB1 ))
      3.000     1.100     1.100 peak  1351 spectrum    1 weight  0.10000E+01 volume  0.40645E-02 ppm1      1.966 ppm2      2.187 CV     1
 ASSI { 1352}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 51   and name HG2 ))
      1.800     0.400     0.400 peak  1352 spectrum    1 weight  0.10000E+01 volume  0.95670E-02 ppm1      1.975 ppm2      1.734 CV     1
 ASSI { 1353}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 12   and name HG2 ))
      1.700     0.400     0.500 peak  1353 spectrum    1 weight  0.10000E+01 volume  0.14027E-01 ppm1      1.915 ppm2      1.686 CV     1
 ASSI { 1354}
   (( segid "    " and resid 34   and name HG1 ))
   (( segid "    " and resid 34   and name HG2 ))
      1.800     0.400     0.400 peak  1354 spectrum    1 weight  0.10000E+01 volume  0.77596E-02 ppm1      1.936 ppm2      1.639 CV     1
 ASSI { 1355}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 51   and name HB1 ))
      2.600     0.800     0.800 peak  1355 spectrum    1 weight  0.10000E+01 volume  0.25085E-02 ppm1      1.733 ppm2      2.190 CV     1
 ASSI { 1356}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 34   and name HB1 ))
      2.500     0.800     0.800 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.23433E-02 ppm1      1.624 ppm2      2.169 CV     1
 ASSI { 1360}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 10   and name HB1 ))
      2.700     0.900     0.900 peak  1360 spectrum    1 weight  0.10000E+01 volume  0.39340E-02 ppm1      1.124 ppm2      2.330 CV     1
 ASSI { 1363}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 11   and name HB1 ))
      2.900     1.000     1.000 peak  1363 spectrum    1 weight  0.10000E+01 volume  0.18834E-02 ppm1      1.161 ppm2      2.038 CV     1
 OR { 1363}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI { 1365}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 10   and name HG  ))
      2.200     0.600     0.600 peak  1365 spectrum    1 weight  0.10000E+01 volume  0.87999E-02 ppm1      1.125 ppm2      1.887 CV     1
 ASSI { 1370}
   (( segid "    " and resid 5    and name HG  ))
   (( segid "    " and resid 5    and name HB2 ))
      2.100     0.500     0.500 peak  1370 spectrum    1 weight  0.10000E+01 volume  0.74594E-02 ppm1      1.557 ppm2      1.359 CV     1
 ASSI { 1371}
   (( segid "    " and resid 78   and name HG11))
   (( segid "    " and resid 78   and name HG12))
      1.600     0.300     0.600 peak  1371 spectrum    1 weight  0.10000E+01 volume  0.13887E-01 ppm1      1.725 ppm2      1.283 CV     1
 ASSI { 1372}
   (( segid "    " and resid 61   and name HG2 ))
   (  segid "    " and resid 64   and name HG2%)
      3.200     1.300     1.300 peak  1372 spectrum    1 weight  0.10000E+01 volume  0.20239E-02 ppm1      2.139 ppm2      1.024 CV     1
 OR { 1372}
   (( segid "    " and resid 61   and name HG1 ))
   (  segid "    " and resid 64   and name HG2%)
 ASSI { 1375}
   (( segid "    " and resid 5    and name HG  ))
   (  segid "    " and resid 5    and name HD1%)
      2.700     0.900     0.900 peak  1375 spectrum    1 weight  0.10000E+01 volume  0.23424E-02 ppm1      1.567 ppm2      0.608 CV     1
 ASSI { 1376}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 5    and name HD1%)
      3.500     1.500     1.500 peak  1376 spectrum    1 weight  0.10000E+01 volume  0.11051E-02 ppm1      1.123 ppm2      0.611 CV     1
 ASSI { 1377}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 31   and name HD1%)
      2.800     0.900     0.900 peak  1377 spectrum    1 weight  0.10000E+01 volume  0.40785E-02 ppm1      1.123 ppm2      0.454 CV     1
 ASSI { 1381}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 11   and name HB2 ))
      2.700     0.900     0.900 peak  1381 spectrum    1 weight  0.10000E+01 volume  0.27520E-02 ppm1      1.401 ppm2      2.042 CV     1
 OR { 1381}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI { 1385}
   (( segid "    " and resid 78   and name HG11))
   (  segid "    " and resid 74   and name HD2%)
      2.900     1.000     1.000 peak  1385 spectrum    1 weight  0.10000E+01 volume  0.14879E-02 ppm1      1.721 ppm2      1.060 CV     1
 OR { 1385}
   (( segid "    " and resid 78   and name HG11))
   (  segid "    " and resid 74   and name HD1%)
 ASSI { 1389}
   (( segid "    " and resid 78   and name HG12))
   (  segid "    " and resid 74   and name HD2%)
      3.700     1.700     1.700 peak  1389 spectrum    1 weight  0.10000E+01 volume  0.15633E-02 ppm1      1.282 ppm2      1.066 CV     1
 OR { 1389}
   (( segid "    " and resid 78   and name HG12))
   (  segid "    " and resid 74   and name HD1%)
 ASSI { 1391}
   (( segid "    " and resid 73   and name HB1 ))
   (  segid "    " and resid 68   and name HG1%)
      2.800     1.000     1.000 peak  1391 spectrum    1 weight  0.10000E+01 volume  0.10725E-02 ppm1      2.473 ppm2      1.133 CV     1
 ASSI { 1394}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HB1 ))
      1.900     0.400     0.400 peak  1394 spectrum    1 weight  0.10000E+01 volume  0.57963E-02 ppm1      1.857 ppm2      2.171 CV     1
 ASSI { 1400}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HG1 ))
      2.400     0.700     0.700 peak  1400 spectrum    1 weight  0.10000E+01 volume  0.43704E-02 ppm1      2.358 ppm2      2.759 CV     1
 ASSI { 1402}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 20   and name HB2 ))
      1.600     0.300     0.600 peak  1402 spectrum    1 weight  0.10000E+01 volume  0.23262E-01 ppm1      2.235 ppm2      2.077 CV     1
 ASSI { 1403}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 36   and name HB2 ))
      1.600     0.300     0.600 peak  1403 spectrum    1 weight  0.10000E+01 volume  0.27056E-01 ppm1      2.258 ppm2      2.135 CV     1
 ASSI { 1408}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HG1 ))
      2.400     0.700     0.700 peak  1408 spectrum    1 weight  0.10000E+01 volume  0.81579E-02 ppm1      2.070 ppm2      2.409 CV     1
 OR { 1408}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HG2 ))
 ASSI { 1409}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HG2 ))
      2.600     0.900     0.900 peak  1409 spectrum    1 weight  0.10000E+01 volume  0.64063E-02 ppm1      2.140 ppm2      2.391 CV     1
 ASSI { 1410}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 36   and name HG1 ))
      2.300     0.700     0.700 peak  1410 spectrum    1 weight  0.10000E+01 volume  0.11779E-01 ppm1      2.133 ppm2      2.500 CV     1
 OR { 1410}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 36   and name HG2 ))
 ASSI { 1411}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HG1 ))
      3.000     1.100     1.100 peak  1411 spectrum    1 weight  0.10000E+01 volume  0.23965E-02 ppm1      2.203 ppm2      2.618 CV     1
 ASSI { 1416}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HG2 ))
      2.700     0.900     0.900 peak  1416 spectrum    1 weight  0.10000E+01 volume  0.46729E-02 ppm1      2.202 ppm2      2.466 CV     1
 ASSI { 1417}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 53   and name HB2 ))
      1.900     0.500     0.500 peak  1417 spectrum    1 weight  0.10000E+01 volume  0.68379E-02 ppm1      2.513 ppm2      2.344 CV     1
 OR { 1417}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 53   and name HG2 ))
 ASSI { 1418}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 73   and name HB2 ))
      1.800     0.400     0.400 peak  1418 spectrum    1 weight  0.10000E+01 volume  0.60382E-02 ppm1      2.472 ppm2      2.274 CV     1
 ASSI { 1419}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 73   and name HG1 ))
      2.800     1.000     1.000 peak  1419 spectrum    1 weight  0.10000E+01 volume  0.24756E-02 ppm1      2.469 ppm2      2.636 CV     1
 ASSI { 1421}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HB1 ))
      1.800     0.400     0.400 peak  1421 spectrum    1 weight  0.10000E+01 volume  0.98691E-02 ppm1      2.201 ppm2      2.342 CV     1
 ASSI { 1422}
   (( segid "    " and resid 53   and name HB2 ))
   (  segid "    " and resid 58   and name HG1%)
      5.200     3.400     0.800 peak  1422 spectrum    1 weight  0.10000E+01 volume  0.65486E-03 ppm1      2.359 ppm2      0.928 CV     1
 ASSI { 1426}
   (( segid "    " and resid 78   and name HG11))
   (  segid "    " and resid 5    and name HD1%)
      4.600     2.700     1.400 peak  1426 spectrum    1 weight  0.10000E+01 volume  0.43466E-03 ppm1      1.731 ppm2      0.618 CV     1
 OR { 1426}
   (( segid "    " and resid 78   and name HG11))
   (  segid "    " and resid 5    and name HD2%)
 ASSI { 1427}
   (( segid "    " and resid 78   and name HG12))
   (  segid "    " and resid 5    and name HD1%)
      4.700     2.800     1.300 peak  1427 spectrum    1 weight  0.10000E+01 volume  0.49574E-03 ppm1      1.283 ppm2      0.608 CV     1
 ASSI { 1436}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 73   and name HA  ))
      2.900     1.000     1.000 peak  1436 spectrum    1 weight  0.10000E+01 volume  0.14102E-02 ppm1      2.468 ppm2      4.238 CV     1
 ASSI { 1440}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HA  ))
      2.900     1.000     1.000 peak  1440 spectrum    1 weight  0.10000E+01 volume  0.45003E-02 ppm1      2.139 ppm2      4.204 CV     1
 ASSI { 1441}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HA  ))
      2.600     0.800     0.800 peak  1441 spectrum    1 weight  0.10000E+01 volume  0.34364E-02 ppm1      2.203 ppm2      4.225 CV     1
 ASSI { 1443}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 36   and name HA  ))
      2.600     0.800     0.800 peak  1443 spectrum    1 weight  0.10000E+01 volume  0.43527E-02 ppm1      2.134 ppm2      4.362 CV     1
 ASSI { 1445}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 34   and name HA  ))
      3.100     1.200     1.200 peak  1445 spectrum    1 weight  0.10000E+01 volume  0.74940E-03 ppm1      2.176 ppm2      4.737 CV     1
 ASSI { 1448}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 68   and name HA  ))
      3.900     1.900     1.900 peak  1448 spectrum    1 weight  0.10000E+01 volume  0.44843E-03 ppm1      2.474 ppm2      4.430 CV     1
 ASSI { 1449}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HA  ))
      3.800     1.800     1.800 peak  1449 spectrum    1 weight  0.10000E+01 volume  0.63731E-03 ppm1      1.857 ppm2      4.740 CV     1
 ASSI { 1451}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 74   and name HN  ))
      3.900     1.900     1.900 peak  1451 spectrum    1 weight  0.10000E+01 volume  0.77365E-03 ppm1      2.474 ppm2      7.708 CV     1
 ASSI { 1456}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 37   and name HN  ))
      3.800     1.900     1.900 peak  1456 spectrum    1 weight  0.10000E+01 volume  0.77313E-03 ppm1      2.169 ppm2      7.569 CV     1
 ASSI { 1457}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 37   and name HN  ))
      4.100     2.100     1.900 peak  1457 spectrum    1 weight  0.10000E+01 volume  0.67564E-03 ppm1      2.133 ppm2      7.559 CV     1
 ASSI { 1464}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 47   and name HN  ))
      3.100     1.200     1.200 peak  1464 spectrum    1 weight  0.10000E+01 volume  0.17450E-02 ppm1      2.344 ppm2      8.495 CV     1
 ASSI { 1466}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 48   and name HN  ))
      3.200     1.300     1.300 peak  1466 spectrum    1 weight  0.10000E+01 volume  0.83022E-03 ppm1      2.342 ppm2      8.312 CV     1
 ASSI { 1471}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HN  ))
      2.800     1.000     1.000 peak  1471 spectrum    1 weight  0.10000E+01 volume  0.30735E-02 ppm1      2.069 ppm2      8.472 CV     1
 ASSI { 1472}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HN  ))
      2.600     0.800     0.800 peak  1472 spectrum    1 weight  0.10000E+01 volume  0.26293E-02 ppm1      2.203 ppm2      8.494 CV     1
 ASSI { 1475}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 20   and name HN  ))
      3.200     1.300     1.300 peak  1475 spectrum    1 weight  0.10000E+01 volume  0.24135E-02 ppm1      2.233 ppm2      8.470 CV     1
 ASSI { 1479}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HE  ))
      4.300     2.300     1.700 peak  1479 spectrum    1 weight  0.10000E+01 volume  0.25370E-03 ppm1      1.856 ppm2      7.987 CV     1
 ASSI { 1480}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 69   and name HN  ))
      4.700     2.800     1.300 peak  1480 spectrum    1 weight  0.10000E+01 volume  0.54297E-03 ppm1      2.472 ppm2      9.074 CV     1
 ASSI { 1481}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 69   and name HN  ))
      4.000     2.000     2.000 peak  1481 spectrum    1 weight  0.10000E+01 volume  0.69552E-03 ppm1      2.269 ppm2      9.075 CV     1
 ASSI { 1484}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 36   and name HN  ))
      3.300     1.300     1.300 peak  1484 spectrum    1 weight  0.10000E+01 volume  0.72952E-03 ppm1      2.169 ppm2      9.548 CV     1
 ASSI { 1485}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 36   and name HN  ))
      2.600     0.900     0.900 peak  1485 spectrum    1 weight  0.10000E+01 volume  0.27689E-02 ppm1      2.256 ppm2      9.548 CV     1
 ASSI { 1488}
   (( segid "    " and resid 78   and name HG11))
   (( segid "    " and resid 79   and name HN  ))
      4.700     2.700     1.300 peak  1488 spectrum    1 weight  0.10000E+01 volume  0.36650E-03 ppm1      1.725 ppm2      8.877 CV     1
 ASSI { 1492}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HN  ))
      2.800     1.000     1.000 peak  1492 spectrum    1 weight  0.10000E+01 volume  0.16280E-02 ppm1      1.600 ppm2      8.994 CV     1
 ASSI { 1495}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 52   and name HN  ))
      2.800     1.000     1.000 peak  1495 spectrum    1 weight  0.10000E+01 volume  0.13808E-02 ppm1      2.194 ppm2      8.404 CV     1
 ASSI { 1498}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HN  ))
      2.700     0.900     0.900 peak  1498 spectrum    1 weight  0.10000E+01 volume  0.41869E-02 ppm1      1.895 ppm2      8.074 CV     1
 ASSI { 1499}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HN  ))
      2.900     1.100     1.100 peak  1499 spectrum    1 weight  0.10000E+01 volume  0.18143E-02 ppm1      2.038 ppm2      8.096 CV     1
 ASSI { 1500}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HN  ))
      2.600     0.800     0.800 peak  1500 spectrum    1 weight  0.10000E+01 volume  0.29339E-02 ppm1      1.618 ppm2      8.077 CV     1
 ASSI { 1501}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HN  ))
      2.300     0.700     0.700 peak  1501 spectrum    1 weight  0.10000E+01 volume  0.70104E-02 ppm1      2.026 ppm2      7.967 CV     1
 OR { 1501}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 12   and name HN  ))
 ASSI { 1503}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 13   and name HN  ))
      2.700     0.900     0.900 peak  1503 spectrum    1 weight  0.10000E+01 volume  0.30961E-02 ppm1      2.024 ppm2      7.698 CV     1
 OR { 1503}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 13   and name HN  ))
 ASSI { 1505}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 30   and name HE% )
      3.000     1.200     1.200 peak  1505 spectrum    1 weight  0.10000E+01 volume  0.12828E-02 ppm1      2.042 ppm2      7.211 CV     1
 OR { 1505}
   (( segid "    " and resid 11   and name HB1 ))
   (  segid "    " and resid 30   and name HE% )
 ASSI { 1506}
   (( segid "    " and resid 55   and name HB1 ))
   (  segid "    " and resid 56   and name HD% )
      3.100     1.200     1.200 peak  1506 spectrum    1 weight  0.10000E+01 volume  0.93079E-03 ppm1      1.895 ppm2      7.438 CV     1
 ASSI { 1512}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 72   and name HH21))
      5.700     4.000     0.300 peak  1512 spectrum    1 weight  0.10000E+01 volume  0.22444E-03 ppm1      1.854 ppm2      6.884 CV     1
 OR { 1512}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 72   and name HH11))
 OR { 1512}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 72   and name HH22))
 OR { 1512}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 72   and name HH12))
 ASSI { 1513}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HH11))
      5.200     3.400     0.800 peak  1513 spectrum    1 weight  0.10000E+01 volume  0.32100E-03 ppm1      1.595 ppm2      6.888 CV     1
 OR { 1513}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HH21))
 OR { 1513}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HH12))
 OR { 1513}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HH22))
 ASSI { 1517}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HA  ))
      2.800     1.000     1.000 peak  1517 spectrum    1 weight  0.10000E+01 volume  0.14765E-02 ppm1      1.601 ppm2      3.605 CV     1
 ASSI { 1518}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HD1 ))
      3.700     1.700     1.700 peak  1518 spectrum    1 weight  0.10000E+01 volume  0.84061E-03 ppm1      1.600 ppm2      3.495 CV     1
 ASSI { 1519}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HA  ))
      2.700     0.900     0.900 peak  1519 spectrum    1 weight  0.10000E+01 volume  0.47035E-02 ppm1      1.893 ppm2      4.092 CV     1
 ASSI { 1521}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 52   and name HA  ))
      3.000     1.100     1.100 peak  1521 spectrum    1 weight  0.10000E+01 volume  0.14028E-02 ppm1      1.897 ppm2      4.305 CV     1
 ASSI { 1523}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 12   and name HA  ))
      2.400     0.700     0.700 peak  1523 spectrum    1 weight  0.10000E+01 volume  0.59492E-02 ppm1      2.025 ppm2      4.029 CV     1
 OR { 1523}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HA  ))
 ASSI { 1528}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 51   and name HA  ))
      3.300     1.400     1.400 peak  1528 spectrum    1 weight  0.10000E+01 volume  0.16180E-02 ppm1      2.195 ppm2      4.234 CV     1
 ASSI { 1532}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HD1 ))
      3.100     1.200     1.200 peak  1532 spectrum    1 weight  0.10000E+01 volume  0.18282E-02 ppm1      2.040 ppm2      3.206 CV     1
 OR { 1532}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HD2 ))
 OR { 1532}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HD1 ))
 OR { 1532}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HD2 ))
 ASSI { 1535}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HD2 ))
      3.100     1.200     1.200 peak  1535 spectrum    1 weight  0.10000E+01 volume  0.13252E-02 ppm1      1.893 ppm2      3.014 CV     1
 ASSI { 1536}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 72   and name HD2 ))
      3.000     1.100     1.100 peak  1536 spectrum    1 weight  0.10000E+01 volume  0.12657E-02 ppm1      1.863 ppm2      3.016 CV     1
 ASSI { 1537}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HD2 ))
      3.200     1.300     1.300 peak  1537 spectrum    1 weight  0.10000E+01 volume  0.10884E-02 ppm1      1.859 ppm2      3.344 CV     1
 ASSI { 1540}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 84   and name HG1 ))
      2.600     0.800     0.800 peak  1540 spectrum    1 weight  0.10000E+01 volume  0.35334E-02 ppm1      2.125 ppm2      2.539 CV     1
 ASSI { 1541}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 84   and name HG2 ))
      2.900     1.000     1.000 peak  1541 spectrum    1 weight  0.10000E+01 volume  0.42967E-02 ppm1      2.125 ppm2      2.466 CV     1
 ASSI { 1542}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HB1 ))
      1.800     0.400     0.400 peak  1542 spectrum    1 weight  0.10000E+01 volume  0.92649E-02 ppm1      2.034 ppm2      2.192 CV     1
 ASSI { 1544}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HG2 ))
      2.400     0.700     0.700 peak  1544 spectrum    1 weight  0.10000E+01 volume  0.66634E-02 ppm1      2.029 ppm2      1.703 CV     1
 OR { 1544}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 12   and name HG2 ))
 ASSI { 1548}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HB2 ))
      1.700     0.300     0.500 peak  1548 spectrum    1 weight  0.10000E+01 volume  0.13772E-01 ppm1      1.893 ppm2      1.614 CV     1
 ASSI { 1551}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HG1 ))
      3.000     1.100     1.100 peak  1551 spectrum    1 weight  0.10000E+01 volume  0.29742E-02 ppm1      1.893 ppm2      1.370 CV     1
 ASSI { 1552}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HG2 ))
      2.700     0.900     0.900 peak  1552 spectrum    1 weight  0.10000E+01 volume  0.23973E-02 ppm1      1.893 ppm2      0.999 CV     1
 ASSI { 1553}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 31   and name HB2 ))
      5.000     3.100     1.000 peak  1553 spectrum    1 weight  0.10000E+01 volume  0.16025E-02 ppm1      1.874 ppm2      1.013 CV     1
 ASSI { 1555}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HG1 ))
      2.500     0.800     0.800 peak  1555 spectrum    1 weight  0.10000E+01 volume  0.34080E-02 ppm1      1.614 ppm2      1.368 CV     1
 ASSI { 1556}
   (( segid "    " and resid 72   and name HB1 ))
   (  segid "    " and resid 31   and name HD1%)
      4.900     3.000     1.100 peak  1556 spectrum    1 weight  0.10000E+01 volume  0.54901E-03 ppm1      1.860 ppm2      0.459 CV     1
 ASSI { 1557}
   (( segid "    " and resid 72   and name HB2 ))
   (  segid "    " and resid 31   and name HD1%)
      4.300     2.300     1.700 peak  1557 spectrum    1 weight  0.10000E+01 volume  0.26947E-03 ppm1      1.591 ppm2      0.458 CV     1
 ASSI { 1558}
   (( segid "    " and resid 72   and name HB1 ))
   (  segid "    " and resid 31   and name HD2%)
      5.000     3.100     1.000 peak  1558 spectrum    1 weight  0.10000E+01 volume  0.51750E-03 ppm1      1.865 ppm2      0.778 CV     1
 ASSI { 1561}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 46   and name HB1 ))
      2.300     0.700     0.700 peak  1561 spectrum    1 weight  0.10000E+01 volume  0.62879E-02 ppm1      2.842 ppm2      2.318 CV     1
 OR { 1561}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 46   and name HB2 ))
 ASSI { 1562}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 47   and name HB2 ))
      4.500     2.500     1.500 peak  1562 spectrum    1 weight  0.10000E+01 volume  0.86710E-03 ppm1      2.842 ppm2      2.179 CV     1
 ASSI { 1567}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 46   and name HN  ))
      2.600     0.800     0.800 peak  1567 spectrum    1 weight  0.10000E+01 volume  0.25856E-02 ppm1      2.750 ppm2      8.236 CV     1
 ASSI { 1568}
   (( segid "    " and resid 64   and name HB  ))
   (( segid "    " and resid 65   and name HN  ))
      2.400     0.700     0.700 peak  1568 spectrum    1 weight  0.10000E+01 volume  0.34181E-02 ppm1      2.202 ppm2      8.213 CV     1
 ASSI { 1569}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 66   and name HN  ))
      4.400     2.400     1.600 peak  1569 spectrum    1 weight  0.10000E+01 volume  0.25208E-03 ppm1      2.747 ppm2      8.036 CV     1
 ASSI { 1570}
   (( segid "    " and resid 64   and name HB  ))
   (( segid "    " and resid 64   and name HN  ))
      2.300     0.700     0.700 peak  1570 spectrum    1 weight  0.10000E+01 volume  0.61528E-02 ppm1      2.203 ppm2      7.397 CV     1
 ASSI { 1573}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HN  ))
      3.100     1.200     1.200 peak  1573 spectrum    1 weight  0.10000E+01 volume  0.15754E-02 ppm1      2.082 ppm2      7.451 CV     1
 ASSI { 1574}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HN  ))
      2.800     1.000     1.000 peak  1574 spectrum    1 weight  0.10000E+01 volume  0.19863E-02 ppm1      1.853 ppm2      7.451 CV     1
 ASSI { 1576}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 62   and name HA  ))
      4.500     2.500     1.500 peak  1576 spectrum    1 weight  0.10000E+01 volume  0.32552E-03 ppm1      2.839 ppm2      4.449 CV     1
 ASSI { 1577}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 62   and name HA  ))
      4.400     2.400     1.600 peak  1577 spectrum    1 weight  0.10000E+01 volume  0.27098E-03 ppm1      2.756 ppm2      4.447 CV     1
 ASSI { 1580}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 66   and name HA1 ))
      4.500     2.500     1.500 peak  1580 spectrum    1 weight  0.10000E+01 volume  0.30236E-03 ppm1      2.758 ppm2      4.124 CV     1
 ASSI { 1585}
   (( segid "    " and resid 64   and name HB  ))
   (( segid "    " and resid 64   and name HA  ))
      2.700     0.900     0.900 peak  1585 spectrum    1 weight  0.10000E+01 volume  0.35939E-02 ppm1      2.203 ppm2      3.817 CV     1
 ASSI { 1586}
   (( segid "    " and resid 64   and name HB  ))
   (( segid "    " and resid 61   and name HD2 ))
      3.000     1.100     1.100 peak  1586 spectrum    1 weight  0.10000E+01 volume  0.10907E-02 ppm1      2.203 ppm2      3.569 CV     1
 ASSI { 1587}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 12   and name HA  ))
      2.500     0.800     0.800 peak  1587 spectrum    1 weight  0.10000E+01 volume  0.33633E-02 ppm1      2.271 ppm2      4.032 CV     1
 ASSI { 1591}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 64   and name HA  ))
      3.800     1.800     1.800 peak  1591 spectrum    1 weight  0.10000E+01 volume  0.46634E-03 ppm1      2.083 ppm2      3.818 CV     1
 ASSI { 1594}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HA  ))
      2.800     1.000     1.000 peak  1594 spectrum    1 weight  0.10000E+01 volume  0.26715E-02 ppm1      1.850 ppm2      4.623 CV     1
 ASSI { 1596}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HD1 ))
      3.000     1.100     1.100 peak  1596 spectrum    1 weight  0.10000E+01 volume  0.16117E-02 ppm1      2.083 ppm2      3.268 CV     1
 OR { 1596}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HD2 ))
 ASSI { 1597}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HD2 ))
      3.300     1.400     1.400 peak  1597 spectrum    1 weight  0.10000E+01 volume  0.13573E-02 ppm1      1.855 ppm2      3.265 CV     1
 OR { 1597}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HD1 ))
 ASSI { 1601}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HB1 ))
      1.700     0.300     0.500 peak  1601 spectrum    1 weight  0.10000E+01 volume  0.15915E-01 ppm1      1.853 ppm2      2.081 CV     1
 ASSI { 1604}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HG1 ))
      2.400     0.700     0.700 peak  1604 spectrum    1 weight  0.10000E+01 volume  0.70822E-02 ppm1      2.082 ppm2      1.754 CV     1
 OR { 1604}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HG2 ))
 ASSI { 1605}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HG2 ))
      2.300     0.700     0.700 peak  1605 spectrum    1 weight  0.10000E+01 volume  0.78064E-02 ppm1      1.853 ppm2      1.751 CV     1
 OR { 1605}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HG1 ))
 ASSI { 1606}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 61   and name HB1 ))
      1.700     0.400     0.500 peak  1606 spectrum    1 weight  0.10000E+01 volume  0.11405E-01 ppm1      2.058 ppm2      2.538 CV     1
 ASSI { 1607}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 61   and name HD2 ))
      3.300     1.400     1.400 peak  1607 spectrum    1 weight  0.10000E+01 volume  0.96549E-03 ppm1      2.056 ppm2      3.572 CV     1
 ASSI { 1610}
   (( segid "    " and resid 46   and name HG2 ))
   (  segid "    " and resid 65   and name HB% )
      3.900     1.900     1.900 peak  1610 spectrum    1 weight  0.10000E+01 volume  0.29820E-03 ppm1      2.751 ppm2      1.386 CV     1
 ASSI { 1626}
   (( segid "    " and resid 68   and name HB  ))
   (  segid "    " and resid 45   and name HD2%)
      5.100     3.300     0.900 peak  1626 spectrum    1 weight  0.10000E+01 volume  0.26785E-03 ppm1      2.416 ppm2      0.348 CV     1
 ASSI { 1627}
   (( segid "    " and resid 68   and name HB  ))
   (  segid "    " and resid 45   and name HD1%)
      4.400     2.400     1.600 peak  1627 spectrum    1 weight  0.10000E+01 volume  0.33551E-03 ppm1      2.406 ppm2      0.224 CV     1
 ASSI { 1632}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 74   and name HB2 ))
      3.300     1.400     1.400 peak  1632 spectrum    1 weight  0.10000E+01 volume  0.55916E-03 ppm1      2.405 ppm2      1.706 CV     1
 ASSI { 1634}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 71   and name HG2 ))
      2.800     1.000     1.000 peak  1634 spectrum    1 weight  0.10000E+01 volume  0.21229E-02 ppm1      2.245 ppm2      1.300 CV     1
 ASSI { 1640}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 10   and name HD2%)
      3.700     1.700     1.700 peak  1640 spectrum    1 weight  0.10000E+01 volume  0.96728E-03 ppm1      2.010 ppm2      1.122 CV     1
 ASSI { 1642}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 71   and name HB2 ))
      1.800     0.400     0.400 peak  1642 spectrum    1 weight  0.10000E+01 volume  0.71233E-02 ppm1      2.245 ppm2      2.007 CV     1
 ASSI { 1649}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 61   and name HD1 ))
      4.000     2.000     2.000 peak  1649 spectrum    1 weight  0.10000E+01 volume  0.11784E-02 ppm1      2.057 ppm2      4.010 CV     1
 ASSI { 1650}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 61   and name HD1 ))
      4.300     2.300     1.700 peak  1650 spectrum    1 weight  0.10000E+01 volume  0.99640E-03 ppm1      2.535 ppm2      4.008 CV     1
 ASSI { 1651}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 61   and name HA  ))
      2.200     0.600     0.600 peak  1651 spectrum    1 weight  0.10000E+01 volume  0.69501E-02 ppm1      2.540 ppm2      4.527 CV     1
 ASSI { 1652}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 68   and name HA  ))
      2.400     0.700     0.700 peak  1652 spectrum    1 weight  0.10000E+01 volume  0.47245E-02 ppm1      2.408 ppm2      4.436 CV     1
 ASSI { 1654}
   (( segid "    " and resid 68   and name HB  ))
   (  segid "    " and resid 35   and name HE% )
      3.300     1.400     1.400 peak  1654 spectrum    1 weight  0.10000E+01 volume  0.56560E-03 ppm1      2.409 ppm2      6.915 CV     1
 ASSI { 1655}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 35   and name HZ  ))
      3.900     1.900     1.900 peak  1655 spectrum    1 weight  0.10000E+01 volume  0.56874E-03 ppm1      2.247 ppm2      6.888 CV     1
 ASSI { 1656}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 74   and name HN  ))
      3.600     1.600     1.600 peak  1656 spectrum    1 weight  0.10000E+01 volume  0.46463E-03 ppm1      2.406 ppm2      7.704 CV     1
 ASSI { 1659}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 68   and name HN  ))
      3.600     1.600     1.600 peak  1659 spectrum    1 weight  0.10000E+01 volume  0.15908E-02 ppm1      2.410 ppm2      7.272 CV     1
 ASSI { 1660}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 64   and name HN  ))
      4.300     2.300     1.700 peak  1660 spectrum    1 weight  0.10000E+01 volume  0.10090E-02 ppm1      2.539 ppm2      7.396 CV     1
 ASSI { 1661}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 30   and name HD% )
      3.300     1.300     1.300 peak  1661 spectrum    1 weight  0.10000E+01 volume  0.10050E-02 ppm1      2.245 ppm2      7.312 CV     1
 ASSI { 1662}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 30   and name HE% )
      2.800     1.000     1.000 peak  1662 spectrum    1 weight  0.10000E+01 volume  0.14976E-02 ppm1      2.245 ppm2      7.209 CV     1
 ASSI { 1665}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 30   and name HE% )
      3.500     1.600     1.600 peak  1665 spectrum    1 weight  0.10000E+01 volume  0.73119E-03 ppm1      2.004 ppm2      7.211 CV     1
 ASSI { 1666}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 35   and name HZ  ))
      5.600     4.000     0.400 peak  1666 spectrum    1 weight  0.10000E+01 volume  0.25890E-03 ppm1      1.999 ppm2      6.904 CV     1
 OR { 1666}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 35   and name HE% )
 ASSI { 1667}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 69   and name HN  ))
      3.500     1.500     1.500 peak  1667 spectrum    1 weight  0.10000E+01 volume  0.23179E-02 ppm1      2.407 ppm2      9.074 CV     1
 ASSI { 1668}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 72   and name HN  ))
      4.400     2.400     1.600 peak  1668 spectrum    1 weight  0.10000E+01 volume  0.58653E-03 ppm1      2.241 ppm2      8.994 CV     1
 ASSI { 1670}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 62   and name HN  ))
      3.200     1.300     1.300 peak  1670 spectrum    1 weight  0.10000E+01 volume  0.17565E-02 ppm1      2.539 ppm2      8.833 CV     1
 ASSI { 1672}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 63   and name HN  ))
      3.600     1.600     1.600 peak  1672 spectrum    1 weight  0.10000E+01 volume  0.88910E-03 ppm1      2.538 ppm2      8.635 CV     1
 ASSI { 1673}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 63   and name HN  ))
      3.500     1.600     1.600 peak  1673 spectrum    1 weight  0.10000E+01 volume  0.69751E-03 ppm1      2.058 ppm2      8.628 CV     1
 ASSI { 1677}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 58   and name HN  ))
      3.600     1.600     1.600 peak  1677 spectrum    1 weight  0.10000E+01 volume  0.12716E-02 ppm1      2.133 ppm2      7.529 CV     1
 ASSI { 1678}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 59   and name HN  ))
      2.300     0.600     0.600 peak  1678 spectrum    1 weight  0.10000E+01 volume  0.52887E-02 ppm1      2.134 ppm2      8.484 CV     1
 ASSI { 1679}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 53   and name HN  ))
      3.300     1.400     1.400 peak  1679 spectrum    1 weight  0.10000E+01 volume  0.14619E-02 ppm1      2.314 ppm2      8.983 CV     1
 ASSI { 1680}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 53   and name HN  ))
      2.700     0.900     0.900 peak  1680 spectrum    1 weight  0.10000E+01 volume  0.27859E-02 ppm1      2.761 ppm2      8.984 CV     1
 ASSI { 1682}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 53   and name HA  ))
      3.100     1.200     1.200 peak  1682 spectrum    1 weight  0.10000E+01 volume  0.23487E-02 ppm1      2.761 ppm2      4.082 CV     1
 ASSI { 1684}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 53   and name HA  ))
      2.700     0.900     0.900 peak  1684 spectrum    1 weight  0.10000E+01 volume  0.25089E-02 ppm1      2.316 ppm2      4.085 CV     1
 ASSI { 1685}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 58   and name HA  ))
      2.400     0.700     0.700 peak  1685 spectrum    1 weight  0.10000E+01 volume  0.57236E-02 ppm1      2.133 ppm2      4.684 CV     1
 ASSI { 1688}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 59   and name HA  ))
      4.100     2.100     1.900 peak  1688 spectrum    1 weight  0.10000E+01 volume  0.43868E-03 ppm1      2.311 ppm2      4.838 CV     1
 ASSI { 1689}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 53   and name HB1 ))
      2.600     0.900     0.900 peak  1689 spectrum    1 weight  0.10000E+01 volume  0.53321E-02 ppm1      2.760 ppm2      2.514 CV     1
 ASSI { 1690}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 53   and name HG2 ))
      1.800     0.400     0.400 peak  1690 spectrum    1 weight  0.10000E+01 volume  0.10816E-01 ppm1      2.761 ppm2      2.326 CV     1
 ASSI { 1692}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 53   and name HB1 ))
      2.400     0.700     0.700 peak  1692 spectrum    1 weight  0.10000E+01 volume  0.50984E-02 ppm1      2.311 ppm2      2.518 CV     1
 ASSI { 1695}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 60   and name HG11))
      3.800     1.800     1.800 peak  1695 spectrum    1 weight  0.10000E+01 volume  0.37215E-03 ppm1      2.762 ppm2      1.489 CV     1
 ASSI { 1696}
   (( segid "    " and resid 53   and name HG1 ))
   (  segid "    " and resid 58   and name HG1%)
      4.900     3.000     1.100 peak  1696 spectrum    1 weight  0.10000E+01 volume  0.69719E-03 ppm1      2.761 ppm2      0.918 CV     1
 ASSI { 1697}
   (( segid "    " and resid 53   and name HG1 ))
   (  segid "    " and resid 60   and name HD1%)
      3.400     1.400     1.400 peak  1697 spectrum    1 weight  0.10000E+01 volume  0.11528E-02 ppm1      2.760 ppm2      0.827 CV     1
 ASSI { 1698}
   (( segid "    " and resid 53   and name HG2 ))
   (  segid "    " and resid 58   and name HG1%)
      4.400     2.400     1.600 peak  1698 spectrum    1 weight  0.10000E+01 volume  0.92085E-03 ppm1      2.317 ppm2      0.925 CV     1
 ASSI { 1703}
   (( segid "    " and resid 73   and name HG2 ))
   (  segid "    " and resid 68   and name HG1%)
      5.200     3.300     0.800 peak  1703 spectrum    1 weight  0.10000E+01 volume  0.46014E-03 ppm1      2.508 ppm2      1.136 CV     1
 ASSI { 1704}
   (( segid "    " and resid 73   and name HG1 ))
   (  segid "    " and resid 68   and name HG1%)
      4.300     2.300     1.700 peak  1704 spectrum    1 weight  0.10000E+01 volume  0.86607E-03 ppm1      2.640 ppm2      1.123 CV     1
 ASSI { 1707}
   (( segid "    " and resid 84   and name HG1 ))
   (  segid "    " and resid 83   and name HB% )
      4.400     2.400     1.600 peak  1707 spectrum    1 weight  0.10000E+01 volume  0.34653E-03 ppm1      2.538 ppm2      1.606 CV     1
 ASSI { 1708}
   (( segid "    " and resid 84   and name HG2 ))
   (  segid "    " and resid 83   and name HB% )
      3.900     1.900     1.900 peak  1708 spectrum    1 weight  0.10000E+01 volume  0.63276E-03 ppm1      2.469 ppm2      1.607 CV     1
 ASSI { 1710}
   (( segid "    " and resid 36   and name HG2 ))
   (( segid "    " and resid 34   and name HB2 ))
      3.700     1.700     1.700 peak  1710 spectrum    1 weight  0.10000E+01 volume  0.66589E-03 ppm1      2.502 ppm2      1.857 CV     1
 OR { 1710}
   (( segid "    " and resid 36   and name HG1 ))
   (( segid "    " and resid 34   and name HB2 ))
 ASSI { 1711}
   (( segid "    " and resid 20   and name HG1 ))
   (( segid "    " and resid 20   and name HB1 ))
      2.300     0.700     0.700 peak  1711 spectrum    1 weight  0.10000E+01 volume  0.10697E-01 ppm1      2.407 ppm2      2.231 CV     1
 OR { 1711}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 20   and name HB1 ))
 ASSI { 1716}
   (( segid "    " and resid 47   and name HG1 ))
   (( segid "    " and resid 47   and name HB1 ))
      2.800     1.000     1.000 peak  1716 spectrum    1 weight  0.10000E+01 volume  0.34253E-02 ppm1      2.614 ppm2      2.347 CV     1
 ASSI { 1718}
   (( segid "    " and resid 73   and name HG2 ))
   (( segid "    " and resid 73   and name HG1 ))
      1.900     0.500     0.500 peak  1718 spectrum    1 weight  0.10000E+01 volume  0.72798E-02 ppm1      2.501 ppm2      2.640 CV     1
 ASSI { 1719}
   (( segid "    " and resid 84   and name HG1 ))
   (( segid "    " and resid 84   and name HA  ))
      3.700     1.800     1.800 peak  1719 spectrum    1 weight  0.10000E+01 volume  0.13290E-02 ppm1      2.539 ppm2      4.394 CV     1
 ASSI { 1721}
   (( segid "    " and resid 36   and name HG1 ))
   (( segid "    " and resid 36   and name HA  ))
      3.000     1.100     1.100 peak  1721 spectrum    1 weight  0.10000E+01 volume  0.42560E-02 ppm1      2.502 ppm2      4.361 CV     1
 OR { 1721}
   (( segid "    " and resid 36   and name HG2 ))
   (( segid "    " and resid 36   and name HA  ))
 ASSI { 1722}
   (( segid "    " and resid 47   and name HG1 ))
   (( segid "    " and resid 47   and name HA  ))
      3.200     1.300     1.300 peak  1722 spectrum    1 weight  0.10000E+01 volume  0.12409E-02 ppm1      2.616 ppm2      4.239 CV     1
 ASSI { 1723}
   (( segid "    " and resid 47   and name HG2 ))
   (( segid "    " and resid 47   and name HA  ))
      3.500     1.500     1.500 peak  1723 spectrum    1 weight  0.10000E+01 volume  0.20949E-02 ppm1      2.472 ppm2      4.235 CV     1
 ASSI { 1725}
   (( segid "    " and resid 36   and name HG1 ))
   (( segid "    " and resid 37   and name HA  ))
      4.400     2.400     1.600 peak  1725 spectrum    1 weight  0.10000E+01 volume  0.29404E-03 ppm1      2.503 ppm2      4.806 CV     1
 OR { 1725}
   (( segid "    " and resid 36   and name HG2 ))
   (( segid "    " and resid 37   and name HA  ))
 ASSI { 1726}
   (( segid "    " and resid 73   and name HG2 ))
   (( segid "    " and resid 74   and name HN  ))
      4.900     2.900     1.100 peak  1726 spectrum    1 weight  0.10000E+01 volume  0.45237E-03 ppm1      2.507 ppm2      7.710 CV     1
 ASSI { 1728}
   (( segid "    " and resid 73   and name HG2 ))
   (( segid "    " and resid 70   and name HN  ))
      4.400     2.400     1.600 peak  1728 spectrum    1 weight  0.10000E+01 volume  0.47404E-03 ppm1      2.500 ppm2      7.473 CV     1
 ASSI { 1732}
   (( segid "    " and resid 84   and name HG2 ))
   (( segid "    " and resid 84   and name HN  ))
      3.400     1.400     1.400 peak  1732 spectrum    1 weight  0.10000E+01 volume  0.12523E-02 ppm1      2.465 ppm2      7.745 CV     1
 ASSI { 1736}
   (( segid "    " and resid 47   and name HG2 ))
   (( segid "    " and resid 47   and name HN  ))
      4.400     2.400     1.600 peak  1736 spectrum    1 weight  0.10000E+01 volume  0.13440E-02 ppm1      2.471 ppm2      8.494 CV     1
 ASSI { 1738}
   (( segid "    " and resid 36   and name HG2 ))
   (( segid "    " and resid 36   and name HN  ))
      3.000     1.100     1.100 peak  1738 spectrum    1 weight  0.10000E+01 volume  0.30645E-02 ppm1      2.504 ppm2      9.548 CV     1
 OR { 1738}
   (( segid "    " and resid 36   and name HG1 ))
   (( segid "    " and resid 36   and name HN  ))
 ASSI { 1740}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HN  ))
      2.600     0.900     0.900 peak  1740 spectrum    1 weight  0.10000E+01 volume  0.17178E-02 ppm1      2.766 ppm2      8.878 CV     1
 ASSI { 1747}
   (( segid "    " and resid 78   and name HB  ))
   (( segid "    " and resid 78   and name HN  ))
      2.400     0.700     0.700 peak  1747 spectrum    1 weight  0.10000E+01 volume  0.43839E-02 ppm1      1.934 ppm2      8.270 CV     1
 ASSI { 1748}
   (( segid "    " and resid 78   and name HB  ))
   (( segid "    " and resid 77   and name HN  ))
      5.200     3.400     0.800 peak  1748 spectrum    1 weight  0.10000E+01 volume  0.20127E-03 ppm1      1.934 ppm2      8.010 CV     1
 ASSI { 1753}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 79   and name HA  ))
      3.100     1.200     1.200 peak  1753 spectrum    1 weight  0.10000E+01 volume  0.12299E-02 ppm1      3.088 ppm2      4.905 CV     1
 ASSI { 1754}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HA  ))
      3.200     1.300     1.300 peak  1754 spectrum    1 weight  0.10000E+01 volume  0.16718E-02 ppm1      2.765 ppm2      4.906 CV     1
 ASSI { 1757}
   (( segid "    " and resid 78   and name HB  ))
   (( segid "    " and resid 75   and name HA  ))
      3.100     1.200     1.200 peak  1757 spectrum    1 weight  0.10000E+01 volume  0.94131E-03 ppm1      1.938 ppm2      3.886 CV     1
 ASSI { 1758}
   (( segid "    " and resid 78   and name HB  ))
   (( segid "    " and resid 78   and name HA  ))
      3.000     1.100     1.100 peak  1758 spectrum    1 weight  0.10000E+01 volume  0.17865E-02 ppm1      1.935 ppm2      3.740 CV     1
 ASSI { 1759}
   (( segid "    " and resid 78   and name HB  ))
   (( segid "    " and resid 78   and name HG11))
      2.400     0.700     0.700 peak  1759 spectrum    1 weight  0.10000E+01 volume  0.33899E-02 ppm1      1.936 ppm2      1.725 CV     1
 ASSI { 1760}
   (( segid "    " and resid 78   and name HB  ))
   (( segid "    " and resid 78   and name HG12))
      3.200     1.200     1.200 peak  1760 spectrum    1 weight  0.10000E+01 volume  0.18211E-02 ppm1      1.935 ppm2      1.283 CV     1
 ASSI { 1761}
   (( segid "    " and resid 78   and name HB  ))
   (  segid "    " and resid 74   and name HD2%)
      4.200     2.300     1.800 peak  1761 spectrum    1 weight  0.10000E+01 volume  0.49890E-03 ppm1      1.935 ppm2      1.046 CV     1
 OR { 1761}
   (( segid "    " and resid 78   and name HB  ))
   (  segid "    " and resid 74   and name HD1%)
 ASSI { 1764}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 4    and name HD2%)
      4.900     3.000     1.100 peak  1764 spectrum    1 weight  0.10000E+01 volume  0.36330E-03 ppm1      2.769 ppm2      0.952 CV     1
 ASSI { 1768}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 16   and name HN  ))
      2.900     1.100     1.100 peak  1768 spectrum    1 weight  0.10000E+01 volume  0.28595E-02 ppm1      2.618 ppm2      8.215 CV     1
 ASSI { 1769}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HN  ))
      2.900     1.000     1.000 peak  1769 spectrum    1 weight  0.10000E+01 volume  0.17250E-02 ppm1      2.393 ppm2      8.216 CV     1
 ASSI { 1772}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HA  ))
      3.000     1.100     1.100 peak  1772 spectrum    1 weight  0.10000E+01 volume  0.21435E-02 ppm1      2.388 ppm2      4.204 CV     1
 ASSI { 1779}
   (( segid "    " and resid 35   and name HB2 ))
   (  segid "    " and resid 45   and name HD2%)
      3.800     1.800     1.800 peak  1779 spectrum    1 weight  0.10000E+01 volume  0.51894E-03 ppm1      3.081 ppm2      0.353 CV     1
 ASSI { 1780}
   (( segid "    " and resid 35   and name HB2 ))
   (  segid "    " and resid 45   and name HD1%)
      4.900     3.000     1.100 peak  1780 spectrum    1 weight  0.10000E+01 volume  0.20452E-03 ppm1      3.076 ppm2      0.215 CV     1
 ASSI { 1782}
   (( segid "    " and resid 35   and name HB1 ))
   (  segid "    " and resid 38   and name HD1%)
      5.100     3.200     0.900 peak  1782 spectrum    1 weight  0.10000E+01 volume  0.34895E-03 ppm1      3.584 ppm2      0.866 CV     1
 ASSI { 1790}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 38   and name HG12))
      3.100     1.200     1.200 peak  1790 spectrum    1 weight  0.10000E+01 volume  0.19652E-02 ppm1      2.455 ppm2      1.542 CV     1
 ASSI { 1791}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 38   and name HG11))
      2.500     0.800     0.800 peak  1791 spectrum    1 weight  0.10000E+01 volume  0.24892E-02 ppm1      2.456 ppm2      1.825 CV     1
 ASSI { 1792}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 40   and name HB2 ))
      2.800     1.000     1.000 peak  1792 spectrum    1 weight  0.10000E+01 volume  0.16480E-02 ppm1      3.586 ppm2      2.769 CV     1
 ASSI { 1795}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 35   and name HB1 ))
      1.600     0.300     0.600 peak  1795 spectrum    1 weight  0.10000E+01 volume  0.11080E-01 ppm1      3.082 ppm2      3.586 CV     1
 ASSI { 1800}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 79   and name HB2 ))
      1.900     0.500     0.500 peak  1800 spectrum    1 weight  0.10000E+01 volume  0.78269E-02 ppm1      3.089 ppm2      2.765 CV     1
 ASSI { 1805}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 35   and name HA  ))
      4.700     2.700     1.300 peak  1805 spectrum    1 weight  0.10000E+01 volume  0.81694E-03 ppm1      2.456 ppm2      4.374 CV     1
 ASSI { 1806}
   (( segid "    " and resid 35   and name HB1 ))
   (  segid "    " and resid 35   and name HD% )
      2.700     0.900     0.900 peak  1806 spectrum    1 weight  0.10000E+01 volume  0.32313E-02 ppm1      3.586 ppm2      7.106 CV     1
 ASSI { 1809}
   (( segid "    " and resid 35   and name HB2 ))
   (  segid "    " and resid 40   and name HD% )
      5.200     3.400     0.800 peak  1809 spectrum    1 weight  0.10000E+01 volume  0.58224E-03 ppm1      3.080 ppm2      6.977 CV     1
 ASSI { 1810}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 40   and name HN  ))
      5.300     3.500     0.700 peak  1810 spectrum    1 weight  0.10000E+01 volume  0.19888E-03 ppm1      2.462 ppm2      8.068 CV     1
 ASSI { 1814}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 40   and name HN  ))
      4.300     2.300     1.700 peak  1814 spectrum    1 weight  0.10000E+01 volume  0.49046E-03 ppm1      3.588 ppm2      8.055 CV     1
 ASSI { 1817}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 36   and name HN  ))
      3.000     1.100     1.100 peak  1817 spectrum    1 weight  0.10000E+01 volume  0.11279E-02 ppm1      3.085 ppm2      9.552 CV     1
 ASSI { 1818}
   (( segid "    " and resid 56   and name HB1 ))
   (  segid "    " and resid 5    and name HD2%)
      4.800     2.900     1.200 peak  1818 spectrum    1 weight  0.10000E+01 volume  0.31742E-03 ppm1      3.460 ppm2      0.621 CV     1
 OR { 1818}
   (( segid "    " and resid 56   and name HB1 ))
   (  segid "    " and resid 5    and name HD1%)
 ASSI { 1819}
   (( segid "    " and resid 56   and name HB1 ))
   (  segid "    " and resid 82   and name HD2%)
      2.200     0.600     0.600 peak  1819 spectrum    1 weight  0.10000E+01 volume  0.47538E-02 ppm1      3.452 ppm2      0.974 CV     1
 OR { 1819}
   (( segid "    " and resid 56   and name HB1 ))
   (  segid "    " and resid 82   and name HD1%)
 ASSI { 1820}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 45   and name HD1%)
      4.400     2.400     1.600 peak  1820 spectrum    1 weight  0.10000E+01 volume  0.33527E-03 ppm1      3.011 ppm2      0.219 CV     1
 ASSI { 1821}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 82   and name HD2%)
      2.600     0.800     0.800 peak  1821 spectrum    1 weight  0.10000E+01 volume  0.32869E-02 ppm1      2.780 ppm2      0.971 CV     1
 OR { 1821}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 82   and name HD1%)
 ASSI { 1823}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 56   and name HB1 ))
      1.600     0.300     0.600 peak  1823 spectrum    1 weight  0.10000E+01 volume  0.13583E-01 ppm1      2.781 ppm2      3.454 CV     1
 ASSI { 1827}
   (( segid "    " and resid 76   and name HB1 ))
   (( segid "    " and resid 76   and name HA  ))
      3.000     1.100     1.100 peak  1827 spectrum    1 weight  0.10000E+01 volume  0.36999E-02 ppm1      2.769 ppm2      4.486 CV     1
 ASSI { 1828}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 76   and name HA  ))
      2.500     0.800     0.800 peak  1828 spectrum    1 weight  0.10000E+01 volume  0.38638E-02 ppm1      2.722 ppm2      4.487 CV     1
 ASSI { 1829}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 63   and name HA  ))
      2.600     0.900     0.900 peak  1829 spectrum    1 weight  0.10000E+01 volume  0.51801E-02 ppm1      2.745 ppm2      4.511 CV     1
 ASSI { 1834}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HA  ))
      2.800     1.000     1.000 peak  1834 spectrum    1 weight  0.10000E+01 volume  0.27258E-02 ppm1      2.665 ppm2      4.845 CV     1
 ASSI { 1835}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 29   and name HA  ))
      3.200     1.200     1.200 peak  1835 spectrum    1 weight  0.10000E+01 volume  0.16486E-02 ppm1      2.886 ppm2      4.843 CV     1
 ASSI { 1836}
   (( segid "    " and resid 56   and name HB1 ))
   (( segid "    " and resid 56   and name HA  ))
      2.400     0.700     0.700 peak  1836 spectrum    1 weight  0.10000E+01 volume  0.42362E-02 ppm1      3.453 ppm2      4.679 CV     1
 ASSI { 1840}
   (( segid "    " and resid 56   and name HB1 ))
   (( segid "    " and resid 58   and name HN  ))
      4.600     2.700     1.400 peak  1840 spectrum    1 weight  0.10000E+01 volume  0.47842E-03 ppm1      3.457 ppm2      7.541 CV     1
 ASSI { 1841}
   (( segid "    " and resid 56   and name HB1 ))
   (  segid "    " and resid 56   and name HD% )
      2.300     0.700     0.700 peak  1841 spectrum    1 weight  0.10000E+01 volume  0.51570E-02 ppm1      3.454 ppm2      7.440 CV     1
 ASSI { 1842}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 58   and name HN  ))
      4.600     2.700     1.400 peak  1842 spectrum    1 weight  0.10000E+01 volume  0.24767E-03 ppm1      2.787 ppm2      7.548 CV     1
 ASSI { 1843}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 56   and name HD% )
      2.400     0.700     0.700 peak  1843 spectrum    1 weight  0.10000E+01 volume  0.48980E-02 ppm1      2.780 ppm2      7.439 CV     1
 ASSI { 1844}
   (( segid "    " and resid 56   and name HB1 ))
   (( segid "    " and resid 56   and name HN  ))
      3.600     1.600     1.600 peak  1844 spectrum    1 weight  0.10000E+01 volume  0.20295E-02 ppm1      3.454 ppm2      8.125 CV     1
 ASSI { 1845}
   (( segid "    " and resid 56   and name HB1 ))
   (( segid "    " and resid 57   and name HN  ))
      4.500     2.600     1.500 peak  1845 spectrum    1 weight  0.10000E+01 volume  0.45835E-03 ppm1      3.453 ppm2      7.968 CV     1
 ASSI { 1847}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 77   and name HN  ))
      4.000     2.000     2.000 peak  1847 spectrum    1 weight  0.10000E+01 volume  0.16131E-02 ppm1      2.714 ppm2      8.009 CV     1
 ASSI { 1854}
   (( segid "    " and resid 63   and name HB1 ))
   (( segid "    " and resid 63   and name HN  ))
      3.100     1.200     1.200 peak  1854 spectrum    1 weight  0.10000E+01 volume  0.19333E-02 ppm1      2.825 ppm2      8.629 CV     1
 ASSI { 1855}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 63   and name HN  ))
      3.100     1.200     1.200 peak  1855 spectrum    1 weight  0.10000E+01 volume  0.18917E-02 ppm1      2.749 ppm2      8.632 CV     1
 ASSI { 1860}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 60   and name HN  ))
      2.600     0.900     0.900 peak  1860 spectrum    1 weight  0.10000E+01 volume  0.34645E-02 ppm1      1.780 ppm2      8.117 CV     1
 ASSI { 1863}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HN  ))
      2.500     0.800     0.800 peak  1863 spectrum    1 weight  0.10000E+01 volume  0.59887E-02 ppm1      2.707 ppm2      8.246 CV     1
 OR { 1863}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 8    and name HN  ))
 ASSI { 1864}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HN  ))
      2.600     0.900     0.900 peak  1864 spectrum    1 weight  0.10000E+01 volume  0.21413E-02 ppm1      2.769 ppm2      8.065 CV     1
 ASSI { 1866}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 6    and name HN  ))
      2.800     1.000     1.000 peak  1866 spectrum    1 weight  0.10000E+01 volume  0.17987E-02 ppm1      2.700 ppm2      9.030 CV     1
 ASSI { 1869}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 31   and name HN  ))
      4.800     2.800     1.200 peak  1869 spectrum    1 weight  0.10000E+01 volume  0.28808E-03 ppm1      3.291 ppm2      7.507 CV     1
 ASSI { 1870}
   (( segid "    " and resid 30   and name HB1 ))
   (  segid "    " and resid 30   and name HD% )
      2.400     0.700     0.700 peak  1870 spectrum    1 weight  0.10000E+01 volume  0.42932E-02 ppm1      3.291 ppm2      7.304 CV     1
 ASSI { 1874}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 35   and name HD% )
      3.300     1.300     1.300 peak  1874 spectrum    1 weight  0.10000E+01 volume  0.19247E-02 ppm1      3.009 ppm2      7.106 CV     1
 ASSI { 1876}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 35   and name HD% )
      3.000     1.100     1.100 peak  1876 spectrum    1 weight  0.10000E+01 volume  0.14640E-02 ppm1      2.766 ppm2      7.106 CV     1
 ASSI { 1878}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 40   and name HE% )
      4.900     3.000     1.100 peak  1878 spectrum    1 weight  0.10000E+01 volume  0.31771E-03 ppm1      2.775 ppm2      6.769 CV     1
 ASSI { 1882}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 56   and name HE% )
      4.500     2.500     1.500 peak  1882 spectrum    1 weight  0.10000E+01 volume  0.44750E-03 ppm1      2.698 ppm2      6.820 CV     1
 ASSI { 1891}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 62   and name HA  ))
      2.800     1.000     1.000 peak  1891 spectrum    1 weight  0.10000E+01 volume  0.30644E-02 ppm1      2.838 ppm2      4.448 CV     1
 ASSI { 1893}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 8    and name HA  ))
      2.500     0.800     0.800 peak  1893 spectrum    1 weight  0.10000E+01 volume  0.68007E-02 ppm1      2.708 ppm2      4.619 CV     1
 OR { 1893}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HA  ))
 ASSI { 1894}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HA  ))
      2.700     0.900     0.900 peak  1894 spectrum    1 weight  0.10000E+01 volume  0.24729E-02 ppm1      2.767 ppm2      4.580 CV     1
 ASSI { 1898}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 61   and name HD2 ))
      4.100     2.100     1.900 peak  1898 spectrum    1 weight  0.10000E+01 volume  0.12011E-02 ppm1      1.780 ppm2      3.568 CV     1
 ASSI { 1899}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 61   and name HD1 ))
      4.400     2.400     1.600 peak  1899 spectrum    1 weight  0.10000E+01 volume  0.84869E-03 ppm1      1.777 ppm2      4.001 CV     1
 ASSI { 1900}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 59   and name HA  ))
      4.600     2.700     1.400 peak  1900 spectrum    1 weight  0.10000E+01 volume  0.62108E-03 ppm1      1.783 ppm2      4.846 CV     1
 ASSI { 1901}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 60   and name HA  ))
      2.900     1.000     1.000 peak  1901 spectrum    1 weight  0.10000E+01 volume  0.23932E-02 ppm1      1.779 ppm2      4.661 CV     1
 ASSI { 1903}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 35   and name HB1 ))
      2.400     0.700     0.700 peak  1903 spectrum    1 weight  0.10000E+01 volume  0.17238E-02 ppm1      3.008 ppm2      3.587 CV     1
 ASSI { 1905}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 30   and name HB2 ))
      1.700     0.300     0.500 peak  1905 spectrum    1 weight  0.10000E+01 volume  0.13079E-01 ppm1      3.291 ppm2      3.011 CV     1
 ASSI { 1907}
   (( segid "    " and resid 41   and name HB1 ))
   (( segid "    " and resid 41   and name HB2 ))
      1.800     0.400     0.400 peak  1907 spectrum    1 weight  0.10000E+01 volume  0.15087E-01 ppm1      3.303 ppm2      2.861 CV     1
 ASSI { 1909}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 9    and name HB2 ))
      1.800     0.400     0.400 peak  1909 spectrum    1 weight  0.10000E+01 volume  0.12615E-01 ppm1      3.035 ppm2      2.699 CV     1
 ASSI { 1910}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 40   and name HB2 ))
      1.700     0.400     0.500 peak  1910 spectrum    1 weight  0.10000E+01 volume  0.77640E-02 ppm1      3.008 ppm2      2.773 CV     1
 ASSI { 1919}
   (( segid "    " and resid 26   and name HB2 ))
   (  segid "    " and resid 26   and name HD1%)
      3.500     1.500     1.500 peak  1919 spectrum    1 weight  0.10000E+01 volume  0.24597E-02 ppm1      1.226 ppm2      0.692 CV     1
 ASSI { 1920}
   (( segid "    " and resid 26   and name HB1 ))
   (  segid "    " and resid 26   and name HD2%)
      3.400     1.400     1.400 peak  1920 spectrum    1 weight  0.10000E+01 volume  0.30577E-02 ppm1      1.450 ppm2      0.799 CV     1
 ASSI { 1923}
   (( segid "    " and resid 60   and name HB  ))
   (  segid "    " and resid 60   and name HG2%)
      2.200     0.600     0.600 peak  1923 spectrum    1 weight  0.10000E+01 volume  0.93483E-02 ppm1      1.779 ppm2      1.025 CV     1
 ASSI { 1924}
   (( segid "    " and resid 60   and name HB  ))
   (  segid "    " and resid 60   and name HD1%)
      3.100     1.200     1.200 peak  1924 spectrum    1 weight  0.10000E+01 volume  0.31631E-02 ppm1      1.779 ppm2      0.837 CV     1
 ASSI { 1925}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 5    and name HD2%)
      3.200     1.300     1.300 peak  1925 spectrum    1 weight  0.10000E+01 volume  0.24063E-02 ppm1      2.699 ppm2      0.633 CV     1
 OR { 1925}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 5    and name HD1%)
 ASSI { 1926}
   (( segid "    " and resid 9    and name HB1 ))
   (  segid "    " and resid 5    and name HD2%)
      3.200     1.200     1.200 peak  1926 spectrum    1 weight  0.10000E+01 volume  0.19051E-02 ppm1      3.033 ppm2      0.633 CV     1
 OR { 1926}
   (( segid "    " and resid 9    and name HB1 ))
   (  segid "    " and resid 5    and name HD1%)
 ASSI { 1932}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 33   and name HB1 ))
      5.100     3.300     0.900 peak  1932 spectrum    1 weight  0.10000E+01 volume  0.42517E-03 ppm1      3.285 ppm2      1.777 CV     1
 OR { 1932}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 33   and name HG  ))
 ASSI { 1938}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 60   and name HG11))
      2.500     0.800     0.800 peak  1938 spectrum    1 weight  0.10000E+01 volume  0.39579E-02 ppm1      1.779 ppm2      1.479 CV     1
 ASSI { 1939}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 45   and name HD1%)
      4.800     2.900     1.200 peak  1939 spectrum    1 weight  0.10000E+01 volume  0.55897E-03 ppm1      2.766 ppm2      0.210 CV     1
 ASSI { 1946}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 45   and name HD1%)
      2.900     1.100     1.100 peak  1946 spectrum    1 weight  0.10000E+01 volume  0.13806E-02 ppm1      1.515 ppm2      0.208 CV     1
 ASSI { 1947}
   (( segid "    " and resid 31   and name HB1 ))
   (  segid "    " and resid 31   and name HD1%)
      3.200     1.300     1.300 peak  1947 spectrum    1 weight  0.10000E+01 volume  0.17933E-02 ppm1      1.628 ppm2      0.452 CV     1
 ASSI { 1948}
   (( segid "    " and resid 5    and name HB1 ))
   (  segid "    " and resid 5    and name HD1%)
      2.500     0.800     0.800 peak  1948 spectrum    1 weight  0.10000E+01 volume  0.48166E-02 ppm1      1.579 ppm2      0.615 CV     1
 OR { 1948}
   (( segid "    " and resid 5    and name HB1 ))
   (  segid "    " and resid 5    and name HD2%)
 ASSI { 1950}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 10   and name HB2 ))
      1.800     0.400     0.400 peak  1950 spectrum    1 weight  0.10000E+01 volume  0.93925E-02 ppm1      2.331 ppm2      1.568 CV     1
 ASSI { 1951}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 52   and name HB2 ))
      1.600     0.300     0.600 peak  1951 spectrum    1 weight  0.10000E+01 volume  0.11761E-01 ppm1      2.211 ppm2      1.448 CV     1
 ASSI { 1952}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 75   and name HB2 ))
      1.800     0.400     0.400 peak  1952 spectrum    1 weight  0.10000E+01 volume  0.94535E-02 ppm1      2.189 ppm2      1.544 CV     1
 ASSI { 1953}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 75   and name HG  ))
      2.400     0.700     0.700 peak  1953 spectrum    1 weight  0.10000E+01 volume  0.44779E-02 ppm1      2.191 ppm2      1.684 CV     1
 ASSI { 1954}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 74   and name HB2 ))
      1.700     0.300     0.500 peak  1954 spectrum    1 weight  0.10000E+01 volume  0.12682E-01 ppm1      2.419 ppm2      1.700 CV     1
 ASSI { 1955}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 10   and name HG  ))
      2.700     0.900     0.900 peak  1955 spectrum    1 weight  0.10000E+01 volume  0.24874E-02 ppm1      2.332 ppm2      1.889 CV     1
 ASSI { 1961}
   (( segid "    " and resid 75   and name HB1 ))
   (  segid "    " and resid 10   and name HD2%)
      3.700     1.700     1.700 peak  1961 spectrum    1 weight  0.10000E+01 volume  0.20487E-02 ppm1      2.190 ppm2      1.124 CV     1
 ASSI { 1962}
   (( segid "    " and resid 74   and name HB1 ))
   (  segid "    " and resid 74   and name HD1%)
      2.700     0.900     0.900 peak  1962 spectrum    1 weight  0.10000E+01 volume  0.27666E-02 ppm1      2.416 ppm2      1.063 CV     1
 OR { 1962}
   (( segid "    " and resid 74   and name HB1 ))
   (  segid "    " and resid 74   and name HD2%)
 ASSI { 1970}
   (( segid "    " and resid 82   and name HB1 ))
   (( segid "    " and resid 82   and name HB2 ))
      1.700     0.300     0.500 peak  1970 spectrum    1 weight  0.10000E+01 volume  0.14915E-01 ppm1      2.007 ppm2      1.554 CV     1
 ASSI { 1973}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 33   and name HB2 ))
      1.800     0.400     0.400 peak  1973 spectrum    1 weight  0.10000E+01 volume  0.10262E-01 ppm1      1.770 ppm2      1.409 CV     1
 ASSI { 1976}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HB1 ))
      1.800     0.400     0.400 peak  1976 spectrum    1 weight  0.10000E+01 volume  0.18688E-01 ppm1      2.357 ppm2      3.031 CV     1
 ASSI { 1984}
   (( segid "    " and resid 31   and name HB1 ))
   (  segid "    " and resid 31   and name HD2%)
      3.000     1.100     1.100 peak  1984 spectrum    1 weight  0.10000E+01 volume  0.33722E-02 ppm1      1.631 ppm2      0.782 CV     1
 ASSI { 1987}
   (( segid "    " and resid 14   and name HB2 ))
   (  segid "    " and resid 14   and name HD2%)
      3.000     1.100     1.100 peak  1987 spectrum    1 weight  0.10000E+01 volume  0.16648E-02 ppm1      1.445 ppm2      0.890 CV     1
 ASSI { 1991}
   (( segid "    " and resid 74   and name HB2 ))
   (  segid "    " and resid 74   and name HD1%)
      3.000     1.100     1.100 peak  1991 spectrum    1 weight  0.10000E+01 volume  0.27145E-02 ppm1      1.696 ppm2      1.062 CV     1
 OR { 1991}
   (( segid "    " and resid 74   and name HB2 ))
   (  segid "    " and resid 74   and name HD2%)
 ASSI { 1992}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 31   and name HB2 ))
      1.800     0.400     0.400 peak  1992 spectrum    1 weight  0.10000E+01 volume  0.83099E-02 ppm1      1.627 ppm2      1.023 CV     1
 ASSI { 1993}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 31   and name HG  ))
      2.700     0.900     0.900 peak  1993 spectrum    1 weight  0.10000E+01 volume  0.24614E-02 ppm1      1.630 ppm2      1.207 CV     1
 ASSI { 1996}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 5    and name HB1 ))
      1.600     0.300     0.600 peak  1996 spectrum    1 weight  0.10000E+01 volume  0.15538E-01 ppm1      1.358 ppm2      1.573 CV     1
 OR { 1996}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 5    and name HG  ))
 ASSI { 2000}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 5    and name HB2 ))
      1.600     0.300     0.600 peak  2000 spectrum    1 weight  0.10000E+01 volume  0.13204E-01 ppm1      1.578 ppm2      1.359 CV     1
 ASSI { 2001}
   (( segid "    " and resid 75   and name HB2 ))
   (  segid "    " and resid 75   and name HD1%)
      2.500     0.800     0.800 peak  2001 spectrum    1 weight  0.10000E+01 volume  0.37124E-02 ppm1      1.546 ppm2      0.791 CV     1
 ASSI { 2002}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 82   and name HG  ))
      2.300     0.700     0.700 peak  2002 spectrum    1 weight  0.10000E+01 volume  0.33547E-02 ppm1      1.555 ppm2      1.835 CV     1
 ASSI { 2003}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HG  ))
      3.100     1.200     1.200 peak  2003 spectrum    1 weight  0.10000E+01 volume  0.20324E-02 ppm1      1.443 ppm2      1.884 CV     1
 ASSI { 2004}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HB1 ))
      1.800     0.400     0.400 peak  2004 spectrum    1 weight  0.10000E+01 volume  0.73478E-02 ppm1      1.446 ppm2      1.983 CV     1
 ASSI { 2005}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 4    and name HB2 ))
      1.600     0.300     0.600 peak  2005 spectrum    1 weight  0.10000E+01 volume  0.16465E-01 ppm1      1.602 ppm2      1.475 CV     1
 ASSI { 2008}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 9    and name HB1 ))
      3.700     1.700     1.700 peak  2008 spectrum    1 weight  0.10000E+01 volume  0.85959E-03 ppm1      1.580 ppm2      3.039 CV     1
 ASSI { 2009}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 9    and name HB2 ))
      3.600     1.600     1.600 peak  2009 spectrum    1 weight  0.10000E+01 volume  0.69245E-03 ppm1      1.579 ppm2      2.700 CV     1
 ASSI { 2010}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 31   and name HA  ))
      2.900     1.100     1.100 peak  2010 spectrum    1 weight  0.10000E+01 volume  0.13264E-02 ppm1      1.627 ppm2      3.303 CV     1
 ASSI { 2011}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 72   and name HA  ))
      3.600     1.600     1.600 peak  2011 spectrum    1 weight  0.10000E+01 volume  0.13059E-02 ppm1      1.544 ppm2      3.604 CV     1
 ASSI { 2015}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 75   and name HA  ))
      2.500     0.800     0.800 peak  2015 spectrum    1 weight  0.10000E+01 volume  0.29521E-02 ppm1      1.543 ppm2      3.889 CV     1
 ASSI { 2017}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HA  ))
      2.600     0.800     0.800 peak  2017 spectrum    1 weight  0.10000E+01 volume  0.18033E-02 ppm1      1.512 ppm2      3.879 CV     1
 ASSI { 2019}
   (( segid "    " and resid 82   and name HB1 ))
   (( segid "    " and resid 82   and name HA  ))
      2.600     0.800     0.800 peak  2019 spectrum    1 weight  0.10000E+01 volume  0.25074E-02 ppm1      2.009 ppm2      4.216 CV     1
 ASSI { 2021}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 33   and name HA  ))
      2.800     1.000     1.000 peak  2021 spectrum    1 weight  0.10000E+01 volume  0.19172E-02 ppm1      1.768 ppm2      4.312 CV     1
 ASSI { 2022}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 74   and name HA  ))
      2.600     0.900     0.900 peak  2022 spectrum    1 weight  0.10000E+01 volume  0.25665E-02 ppm1      1.699 ppm2      4.308 CV     1
 ASSI { 2023}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 52   and name HA  ))
      2.600     0.800     0.800 peak  2023 spectrum    1 weight  0.10000E+01 volume  0.23754E-02 ppm1      2.210 ppm2      4.305 CV     1
 ASSI { 2024}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 49   and name HA  ))
      4.000     2.000     2.000 peak  2024 spectrum    1 weight  0.10000E+01 volume  0.18704E-02 ppm1      2.210 ppm2      3.948 CV     1
 ASSI { 2028}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 74   and name HA  ))
      3.100     1.200     1.200 peak  2028 spectrum    1 weight  0.10000E+01 volume  0.16382E-02 ppm1      2.418 ppm2      4.305 CV     1
 ASSI { 2029}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 10   and name HA  ))
      3.100     1.200     1.200 peak  2029 spectrum    1 weight  0.10000E+01 volume  0.24513E-02 ppm1      2.331 ppm2      4.209 CV     1
 ASSI { 2031}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 11   and name HA  ))
      3.100     1.200     1.200 peak  2031 spectrum    1 weight  0.10000E+01 volume  0.88397E-03 ppm1      1.983 ppm2      3.516 CV     1
 ASSI { 2033}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 82   and name HA  ))
      2.700     0.900     0.900 peak  2033 spectrum    1 weight  0.10000E+01 volume  0.45151E-02 ppm1      1.554 ppm2      4.210 CV     1
 ASSI { 2034}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HA  ))
      2.400     0.700     0.700 peak  2034 spectrum    1 weight  0.10000E+01 volume  0.38303E-02 ppm1      1.568 ppm2      4.210 CV     1
 ASSI { 2036}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 4    and name HA  ))
      3.000     1.200     1.200 peak  2036 spectrum    1 weight  0.10000E+01 volume  0.28464E-02 ppm1      1.469 ppm2      4.355 CV     1
 ASSI { 2041}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 5    and name HA  ))
      2.500     0.800     0.800 peak  2041 spectrum    1 weight  0.10000E+01 volume  0.29305E-02 ppm1      1.579 ppm2      4.522 CV     1
 ASSI { 2042}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 79   and name HA  ))
      2.800     1.000     1.000 peak  2042 spectrum    1 weight  0.10000E+01 volume  0.14526E-02 ppm1      1.553 ppm2      4.907 CV     1
 ASSI { 2043}
   (( segid "    " and resid 82   and name HB1 ))
   (( segid "    " and resid 79   and name HA  ))
      3.700     1.700     1.700 peak  2043 spectrum    1 weight  0.10000E+01 volume  0.26657E-02 ppm1      2.008 ppm2      4.904 CV     1
 ASSI { 2044}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HA  ))
      3.000     1.100     1.100 peak  2044 spectrum    1 weight  0.10000E+01 volume  0.23353E-02 ppm1      2.357 ppm2      5.044 CV     1
 ASSI { 2045}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 32   and name HA  ))
      2.800     1.000     1.000 peak  2045 spectrum    1 weight  0.10000E+01 volume  0.40793E-02 ppm1      3.030 ppm2      5.044 CV     1
 ASSI { 2048}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 35   and name HZ  ))
      3.800     1.800     1.800 peak  2048 spectrum    1 weight  0.10000E+01 volume  0.84734E-03 ppm1      2.419 ppm2      6.902 CV     1
 OR { 2048}
   (( segid "    " and resid 74   and name HB1 ))
   (  segid "    " and resid 35   and name HE% )
 ASSI { 2050}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 74   and name HN  ))
      3.100     1.200     1.200 peak  2050 spectrum    1 weight  0.10000E+01 volume  0.21199E-02 ppm1      2.420 ppm2      7.708 CV     1
 ASSI { 2051}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 30   and name HZ  ))
      3.300     1.400     1.400 peak  2051 spectrum    1 weight  0.10000E+01 volume  0.63139E-03 ppm1      2.330 ppm2      7.334 CV     1
 ASSI { 2052}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 30   and name HE% )
      4.000     2.000     2.000 peak  2052 spectrum    1 weight  0.10000E+01 volume  0.48703E-03 ppm1      2.337 ppm2      7.212 CV     1
 ASSI { 2053}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HN  ))
      2.800     1.000     1.000 peak  2053 spectrum    1 weight  0.10000E+01 volume  0.30873E-02 ppm1      2.356 ppm2      8.047 CV     1
 ASSI { 2054}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 53   and name HN  ))
      3.600     1.600     1.600 peak  2054 spectrum    1 weight  0.10000E+01 volume  0.13353E-02 ppm1      2.211 ppm2      8.983 CV     1
 ASSI { 2055}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 52   and name HN  ))
      3.300     1.300     1.300 peak  2055 spectrum    1 weight  0.10000E+01 volume  0.35162E-02 ppm1      2.210 ppm2      8.402 CV     1
 ASSI { 2058}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 75   and name HN  ))
      2.700     0.900     0.900 peak  2058 spectrum    1 weight  0.10000E+01 volume  0.15741E-02 ppm1      2.419 ppm2      8.727 CV     1
 ASSI { 2060}
   (( segid "    " and resid 41   and name HB1 ))
   (( segid "    " and resid 42   and name HN  ))
      2.600     2.600     3.400 peak  2060 spectrum    1 weight  0.10000E+01 volume  0.51353E-02 ppm1      3.306 ppm2      8.919 CV     1
 ASSI { 2061}
   (( segid "    " and resid 41   and name HB1 ))
   (( segid "    " and resid 41   and name HN  ))
      3.500     1.500     1.500 peak  2061 spectrum    1 weight  0.10000E+01 volume  0.14841E-02 ppm1      3.303 ppm2      7.966 CV     1
 ASSI { 2063}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 42   and name HN  ))
      3.000     1.200     1.200 peak  2063 spectrum    1 weight  0.10000E+01 volume  0.38859E-02 ppm1      2.860 ppm2      8.919 CV     1
 ASSI { 2065}
   (( segid "    " and resid 74   and name HB2 ))
   (  segid "    " and resid 35   and name HE% )
      3.100     1.200     1.200 peak  2065 spectrum    1 weight  0.10000E+01 volume  0.10216E-02 ppm1      1.701 ppm2      6.902 CV     1
 OR { 2065}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 35   and name HZ  ))
 ASSI { 2066}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 72   and name HH21))
      3.900     1.900     1.900 peak  2066 spectrum    1 weight  0.10000E+01 volume  0.65146E-03 ppm1      1.629 ppm2      6.898 CV     1
 OR { 2066}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 72   and name HH22))
 OR { 2066}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 72   and name HH11))
 OR { 2066}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 72   and name HH12))
 ASSI { 2068}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 33   and name HN  ))
      3.500     1.500     1.500 peak  2068 spectrum    1 weight  0.10000E+01 volume  0.30816E-02 ppm1      1.769 ppm2      7.206 CV     1
 ASSI { 2069}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 31   and name HN  ))
      3.200     1.300     1.300 peak  2069 spectrum    1 weight  0.10000E+01 volume  0.41446E-02 ppm1      1.628 ppm2      7.507 CV     1
 ASSI { 2073}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 52   and name HN  ))
      2.700     0.900     0.900 peak  2073 spectrum    1 weight  0.10000E+01 volume  0.18886E-02 ppm1      1.444 ppm2      8.404 CV     1
 ASSI { 2074}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 82   and name HN  ))
      2.500     0.800     0.800 peak  2074 spectrum    1 weight  0.10000E+01 volume  0.27511E-02 ppm1      1.553 ppm2      8.277 CV     1
 ASSI { 2078}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 83   and name HN  ))
      2.900     1.100     1.100 peak  2078 spectrum    1 weight  0.10000E+01 volume  0.14725E-02 ppm1      1.553 ppm2      7.957 CV     1
 ASSI { 2081}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
      2.700     0.900     0.900 peak  2081 spectrum    1 weight  0.10000E+01 volume  0.28551E-02 ppm1      1.567 ppm2      8.065 CV     1
 ASSI { 2083}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HN  ))
      2.500     0.800     0.800 peak  2083 spectrum    1 weight  0.10000E+01 volume  0.30936E-02 ppm1      1.510 ppm2      8.462 CV     1
 ASSI { 2084}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HN  ))
      3.000     1.100     1.100 peak  2084 spectrum    1 weight  0.10000E+01 volume  0.18904E-02 ppm1      1.448 ppm2      8.408 CV     1
 ASSI { 2085}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 46   and name HN  ))
      2.600     0.800     0.800 peak  2085 spectrum    1 weight  0.10000E+01 volume  0.13442E-02 ppm1      1.628 ppm2      8.237 CV     1
 ASSI { 2086}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 46   and name HN  ))
      4.000     2.000     2.000 peak  2086 spectrum    1 weight  0.10000E+01 volume  0.14254E-02 ppm1      1.511 ppm2      8.239 CV     1
 ASSI { 2089}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 75   and name HN  ))
      3.700     1.800     1.800 peak  2089 spectrum    1 weight  0.10000E+01 volume  0.14175E-02 ppm1      1.698 ppm2      8.724 CV     1
 ASSI { 2090}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 34   and name HN  ))
      3.200     1.300     1.300 peak  2090 spectrum    1 weight  0.10000E+01 volume  0.10463E-02 ppm1      1.770 ppm2      8.457 CV     1
 ASSI { 2091}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 6    and name HN  ))
      3.100     1.200     1.200 peak  2091 spectrum    1 weight  0.10000E+01 volume  0.11270E-02 ppm1      1.577 ppm2      9.030 CV     1
 ASSI { 2092}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 53   and name HN  ))
      3.000     1.100     1.100 peak  2092 spectrum    1 weight  0.10000E+01 volume  0.84580E-03 ppm1      1.444 ppm2      8.981 CV     1
 ASSI { 2094}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 11   and name HN  ))
      3.700     1.800     1.800 peak  2094 spectrum    1 weight  0.10000E+01 volume  0.15968E-02 ppm1      1.565 ppm2      8.836 CV     1
 ASSI { 2095}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HN  ))
      2.700     0.900     0.900 peak  2095 spectrum    1 weight  0.10000E+01 volume  0.15573E-02 ppm1      1.028 ppm2      7.508 CV     1
 ASSI { 2098}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 5    and name HN  ))
      2.300     0.700     0.700 peak  2098 spectrum    1 weight  0.10000E+01 volume  0.33571E-02 ppm1      1.359 ppm2      9.429 CV     1
 ASSI { 2099}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 34   and name HN  ))
      3.900     1.900     1.900 peak  2099 spectrum    1 weight  0.10000E+01 volume  0.13821E-02 ppm1      1.406 ppm2      8.459 CV     1
 ASSI { 2100}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 34   and name HE  ))
      3.000     1.100     1.100 peak  2100 spectrum    1 weight  0.10000E+01 volume  0.18784E-02 ppm1      3.443 ppm2      7.986 CV     1
 ASSI { 2104}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 51   and name HN  ))
      5.500     3.800     0.500 peak  2104 spectrum    1 weight  0.10000E+01 volume  0.29045E-03 ppm1      3.443 ppm2      8.109 CV     1
 ASSI { 2105}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 51   and name HN  ))
      4.800     2.900     1.200 peak  2105 spectrum    1 weight  0.10000E+01 volume  0.41720E-03 ppm1      3.298 ppm2      8.105 CV     1
 ASSI { 2106}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HE  ))
      2.800     1.000     1.000 peak  2106 spectrum    1 weight  0.10000E+01 volume  0.24858E-02 ppm1      3.491 ppm2      9.069 CV     1
 ASSI { 2107}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HE  ))
      2.600     0.900     0.900 peak  2107 spectrum    1 weight  0.10000E+01 volume  0.38655E-02 ppm1      3.015 ppm2      9.064 CV     1
 ASSI { 2108}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 78   and name HN  ))
      2.500     0.800     0.800 peak  2108 spectrum    1 weight  0.10000E+01 volume  0.21573E-02 ppm1      1.905 ppm2      8.271 CV     1
 ASSI { 2109}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 77   and name HN  ))
      2.400     0.700     0.700 peak  2109 spectrum    1 weight  0.10000E+01 volume  0.34835E-02 ppm1      1.906 ppm2      8.009 CV     1
 ASSI { 2111}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 51   and name HE  ))
      3.100     1.200     1.200 peak  2111 spectrum    1 weight  0.10000E+01 volume  0.15528E-02 ppm1      3.440 ppm2      7.547 CV     1
 ASSI { 2113}
   (( segid "    " and resid 67   and name HD1 ))
   (( segid "    " and resid 67   and name HE  ))
      2.900     1.000     1.000 peak  2113 spectrum    1 weight  0.10000E+01 volume  0.23322E-02 ppm1      3.270 ppm2      7.392 CV     1
 OR { 2113}
   (( segid "    " and resid 67   and name HD2 ))
   (( segid "    " and resid 67   and name HE  ))
 ASSI { 2116}
   (( segid "    " and resid 55   and name HD1 ))
   (  segid "    " and resid 56   and name HE% )
      3.300     1.400     1.400 peak  2116 spectrum    1 weight  0.10000E+01 volume  0.11049E-02 ppm1      3.095 ppm2      6.812 CV     1
 ASSI { 2118}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HH11))
      2.900     1.100     1.100 peak  2118 spectrum    1 weight  0.10000E+01 volume  0.16733E-02 ppm1      3.016 ppm2      6.894 CV     1
 OR { 2118}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HH12))
 OR { 2118}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HH22))
 ASSI { 2119}
   (( segid "    " and resid 55   and name HD1 ))
   (( segid "    " and resid 55   and name HA  ))
      4.400     2.400     1.600 peak  2119 spectrum    1 weight  0.10000E+01 volume  0.73908E-03 ppm1      3.094 ppm2      4.094 CV     1
 ASSI { 2120}
   (( segid "    " and resid 55   and name HD2 ))
   (( segid "    " and resid 55   and name HA  ))
      4.500     2.500     1.500 peak  2120 spectrum    1 weight  0.10000E+01 volume  0.68430E-03 ppm1      3.013 ppm2      4.093 CV     1
 ASSI { 2123}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 51   and name HA  ))
      4.700     2.800     1.300 peak  2123 spectrum    1 weight  0.10000E+01 volume  0.69764E-03 ppm1      3.440 ppm2      4.230 CV     1
 ASSI { 2124}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 51   and name HA  ))
      4.600     2.600     1.400 peak  2124 spectrum    1 weight  0.10000E+01 volume  0.66378E-03 ppm1      3.293 ppm2      4.230 CV     1
 ASSI { 2126}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HD2 ))
      1.700     0.400     0.500 peak  2126 spectrum    1 weight  0.10000E+01 volume  0.12263E-01 ppm1      3.490 ppm2      3.016 CV     1
 ASSI { 2128}
   (( segid "    " and resid 55   and name HD1 ))
   (( segid "    " and resid 55   and name HB1 ))
      3.400     1.400     1.400 peak  2128 spectrum    1 weight  0.10000E+01 volume  0.89583E-03 ppm1      3.094 ppm2      1.893 CV     1
 ASSI { 2129}
   (( segid "    " and resid 55   and name HD1 ))
   (( segid "    " and resid 55   and name HB2 ))
      3.400     1.400     1.400 peak  2129 spectrum    1 weight  0.10000E+01 volume  0.17238E-02 ppm1      3.094 ppm2      1.619 CV     1
 ASSI { 2130}
   (( segid "    " and resid 55   and name HD2 ))
   (( segid "    " and resid 55   and name HB2 ))
      2.900     1.100     1.100 peak  2130 spectrum    1 weight  0.10000E+01 volume  0.17166E-02 ppm1      3.016 ppm2      1.616 CV     1
 ASSI { 2133}
   (( segid "    " and resid 55   and name HD1 ))
   (( segid "    " and resid 55   and name HG2 ))
      2.500     0.800     0.800 peak  2133 spectrum    1 weight  0.10000E+01 volume  0.29341E-02 ppm1      3.095 ppm2      0.994 CV     1
 ASSI { 2134}
   (( segid "    " and resid 55   and name HD2 ))
   (( segid "    " and resid 55   and name HG2 ))
      2.900     1.100     1.100 peak  2134 spectrum    1 weight  0.10000E+01 volume  0.29039E-02 ppm1      3.013 ppm2      0.994 CV     1
 ASSI { 2136}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HG1 ))
      2.900     1.000     1.000 peak  2136 spectrum    1 weight  0.10000E+01 volume  0.35389E-02 ppm1      3.016 ppm2      1.646 CV     1
 ASSI { 2137}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HG2 ))
      2.800     1.000     1.000 peak  2137 spectrum    1 weight  0.10000E+01 volume  0.18061E-02 ppm1      3.014 ppm2      1.513 CV     1
 ASSI { 2140}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 51   and name HG2 ))
      2.600     0.800     0.800 peak  2140 spectrum    1 weight  0.10000E+01 volume  0.34631E-02 ppm1      3.441 ppm2      1.732 CV     1
 ASSI { 2141}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 34   and name HG2 ))
      2.500     0.800     0.800 peak  2141 spectrum    1 weight  0.10000E+01 volume  0.33797E-02 ppm1      3.443 ppm2      1.630 CV     1
 ASSI { 2142}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HB1 ))
      3.800     1.800     1.800 peak  2142 spectrum    1 weight  0.10000E+01 volume  0.98017E-03 ppm1      3.489 ppm2      1.865 CV     1
 ASSI { 2143}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HG1 ))
      2.500     0.800     0.800 peak  2143 spectrum    1 weight  0.10000E+01 volume  0.35864E-02 ppm1      3.491 ppm2      1.644 CV     1
 ASSI { 2144}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HG2 ))
      2.900     1.100     1.100 peak  2144 spectrum    1 weight  0.10000E+01 volume  0.21315E-02 ppm1      3.493 ppm2      1.512 CV     1
 ASSI { 2145}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 51   and name HB1 ))
      3.100     1.200     1.200 peak  2145 spectrum    1 weight  0.10000E+01 volume  0.12723E-02 ppm1      3.299 ppm2      2.190 CV     1
 ASSI { 2146}
   (( segid "    " and resid 34   and name HD2 ))
   (( segid "    " and resid 34   and name HB1 ))
      3.200     1.300     1.300 peak  2146 spectrum    1 weight  0.10000E+01 volume  0.10734E-02 ppm1      3.340 ppm2      2.168 CV     1
 ASSI { 2147}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 12   and name HB1 ))
      3.100     1.200     1.200 peak  2147 spectrum    1 weight  0.10000E+01 volume  0.27481E-02 ppm1      3.364 ppm2      2.018 CV     1
 OR { 2147}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 12   and name HB2 ))
 ASSI { 2150}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 12   and name HG1 ))
      2.500     0.800     0.800 peak  2150 spectrum    1 weight  0.10000E+01 volume  0.40456E-02 ppm1      3.316 ppm2      1.928 CV     1
 ASSI { 2151}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 51   and name HG2 ))
      2.400     0.700     0.700 peak  2151 spectrum    1 weight  0.10000E+01 volume  0.55051E-02 ppm1      3.296 ppm2      1.719 CV     1
 ASSI { 2152}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 12   and name HG2 ))
      2.500     0.800     0.800 peak  2152 spectrum    1 weight  0.10000E+01 volume  0.32421E-02 ppm1      3.363 ppm2      1.681 CV     1
 ASSI { 2156}
   (( segid "    " and resid 33   and name HB1 ))
   (  segid "    " and resid 38   and name HD1%)
      3.400     1.400     1.400 peak  2156 spectrum    1 weight  0.10000E+01 volume  0.12190E-02 ppm1      1.772 ppm2      0.869 CV     1
 ASSI { 2157}
   (( segid "    " and resid 74   and name HB1 ))
   (  segid "    " and resid 68   and name HG2%)
      4.200     2.300     1.800 peak  2157 spectrum    1 weight  0.10000E+01 volume  0.97543E-03 ppm1      2.419 ppm2      1.217 CV     1
 ASSI { 2162}
   (( segid "    " and resid 69   and name HB1 ))
   (( segid "    " and resid 69   and name HA  ))
      2.600     0.800     0.800 peak  2162 spectrum    1 weight  0.10000E+01 volume  0.31116E-02 ppm1      3.014 ppm2      5.263 CV     1
 ASSI { 2163}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 69   and name HA  ))
      2.900     1.100     1.100 peak  2163 spectrum    1 weight  0.10000E+01 volume  0.34381E-02 ppm1      2.883 ppm2      5.263 CV     1
 ASSI { 2165}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 68   and name HA  ))
      5.100     3.200     0.900 peak  2165 spectrum    1 weight  0.10000E+01 volume  0.44856E-03 ppm1      2.883 ppm2      4.433 CV     1
 ASSI { 2167}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 69   and name HN  ))
      2.600     0.900     0.900 peak  2167 spectrum    1 weight  0.10000E+01 volume  0.30591E-02 ppm1      2.883 ppm2      9.075 CV     1
 ASSI { 2169}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 70   and name HN  ))
      3.300     1.400     1.400 peak  2169 spectrum    1 weight  0.10000E+01 volume  0.11396E-02 ppm1      2.884 ppm2      7.470 CV     1
 ASSI { 2176}
   (( segid "    " and resid 28   and name HA1 ))
   (( segid "    " and resid 28   and name HN  ))
      3.100     1.200     1.200 peak  2176 spectrum    1 weight  0.10000E+01 volume  0.31699E-02 ppm1      4.253 ppm2      8.556 CV     1
 ASSI { 2183}
   (( segid "    " and resid 23   and name HA1 ))
   (  segid "    " and resid 15   and name HG2%)
      4.000     2.000     2.000 peak  2183 spectrum    1 weight  0.10000E+01 volume  0.94028E-03 ppm1      4.069 ppm2      1.115 CV     1
 OR { 2183}
   (( segid "    " and resid 23   and name HA2 ))
   (  segid "    " and resid 15   and name HG2%)
 ASSI { 2184}
   (( segid "    " and resid 23   and name HA1 ))
   (  segid "    " and resid 15   and name HG1%)
      3.600     1.600     1.600 peak  2184 spectrum    1 weight  0.10000E+01 volume  0.93739E-03 ppm1      4.071 ppm2      1.040 CV     1
 OR { 2184}
   (( segid "    " and resid 23   and name HA2 ))
   (  segid "    " and resid 15   and name HG1%)
 ASSI { 2185}
   (( segid "    " and resid 23   and name HA1 ))
   (  segid "    " and resid 26   and name HD2%)
      4.300     2.300     1.700 peak  2185 spectrum    1 weight  0.10000E+01 volume  0.40106E-03 ppm1      4.071 ppm2      0.804 CV     1
 OR { 2185}
   (( segid "    " and resid 23   and name HA2 ))
   (  segid "    " and resid 26   and name HD2%)
 ASSI { 2189}
   (( segid "    " and resid 23   and name HA2 ))
   (( segid "    " and resid 20   and name HB2 ))
      3.500     1.500     1.500 peak  2189 spectrum    1 weight  0.10000E+01 volume  0.35557E-03 ppm1      4.074 ppm2      2.069 CV     1
 OR { 2189}
   (( segid "    " and resid 23   and name HA1 ))
   (( segid "    " and resid 20   and name HB2 ))
 ASSI { 2190}
   (( segid "    " and resid 23   and name HA2 ))
   (( segid "    " and resid 22   and name HB1 ))
      3.600     1.600     1.600 peak  2190 spectrum    1 weight  0.10000E+01 volume  0.95215E-03 ppm1      4.077 ppm2      2.843 CV     1
 OR { 2190}
   (( segid "    " and resid 23   and name HA2 ))
   (( segid "    " and resid 22   and name HB2 ))
 OR { 2190}
   (( segid "    " and resid 23   and name HA1 ))
   (( segid "    " and resid 22   and name HB1 ))
 OR { 2190}
   (( segid "    " and resid 23   and name HA1 ))
   (( segid "    " and resid 22   and name HB2 ))
 ASSI { 2191}
   (( segid "    " and resid 23   and name HA2 ))
   (( segid "    " and resid 24   and name HA  ))
      3.900     1.900     1.900 peak  2191 spectrum    1 weight  0.10000E+01 volume  0.96561E-03 ppm1      4.073 ppm2      4.344 CV     1
 OR { 2191}
   (( segid "    " and resid 23   and name HA1 ))
   (( segid "    " and resid 24   and name HA  ))
 ASSI { 2193}
   (( segid "    " and resid 66   and name HA1 ))
   (( segid "    " and resid 67   and name HN  ))
      3.300     1.400     1.400 peak  2193 spectrum    1 weight  0.10000E+01 volume  0.10955E-02 ppm1      4.104 ppm2      7.454 CV     1
 ASSI { 2194}
   (( segid "    " and resid 66   and name HA2 ))
   (( segid "    " and resid 67   and name HN  ))
      3.700     1.700     1.700 peak  2194 spectrum    1 weight  0.10000E+01 volume  0.12444E-02 ppm1      3.873 ppm2      7.454 CV     1
 ASSI { 2196}
   (( segid "    " and resid 39   and name HA1 ))
   (( segid "    " and resid 39   and name HN  ))
      2.800     1.000     1.000 peak  2196 spectrum    1 weight  0.10000E+01 volume  0.57356E-02 ppm1      4.258 ppm2      7.712 CV     1
 ASSI { 2197}
   (( segid "    " and resid 39   and name HA1 ))
   (( segid "    " and resid 40   and name HN  ))
      3.900     1.900     1.900 peak  2197 spectrum    1 weight  0.10000E+01 volume  0.16581E-02 ppm1      4.259 ppm2      8.058 CV     1
 ASSI { 2198}
   (( segid "    " and resid 39   and name HA2 ))
   (( segid "    " and resid 40   and name HN  ))
      2.900     1.000     1.000 peak  2198 spectrum    1 weight  0.10000E+01 volume  0.17867E-02 ppm1      3.878 ppm2      8.063 CV     1
 ASSI { 2204}
   (( segid "    " and resid 23   and name HA2 ))
   (( segid "    " and resid 25   and name HN  ))
      4.500     2.500     1.500 peak  2204 spectrum    1 weight  0.10000E+01 volume  0.48706E-03 ppm1      4.072 ppm2      8.607 CV     1
 OR { 2204}
   (( segid "    " and resid 23   and name HA1 ))
   (( segid "    " and resid 25   and name HN  ))
 ASSI { 2206}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 81   and name HN  ))
      2.900     1.000     1.000 peak  2206 spectrum    1 weight  0.10000E+01 volume  0.35187E-02 ppm1      4.018 ppm2      7.582 CV     1
 OR { 2206}
   (( segid "    " and resid 80   and name HA2 ))
   (( segid "    " and resid 81   and name HN  ))
 ASSI { 2207}
   (( segid "    " and resid 57   and name HA1 ))
   (( segid "    " and resid 56   and name HN  ))
      4.500     2.500     1.500 peak  2207 spectrum    1 weight  0.10000E+01 volume  0.13133E-02 ppm1      4.084 ppm2      8.124 CV     1
 OR { 2207}
   (( segid "    " and resid 57   and name HA2 ))
   (( segid "    " and resid 56   and name HN  ))
 ASSI { 2208}
   (( segid "    " and resid 57   and name HA1 ))
   (( segid "    " and resid 57   and name HN  ))
      2.200     0.600     0.600 peak  2208 spectrum    1 weight  0.10000E+01 volume  0.10848E-01 ppm1      4.088 ppm2      7.965 CV     1
 OR { 2208}
   (( segid "    " and resid 57   and name HA2 ))
   (( segid "    " and resid 57   and name HN  ))
 ASSI { 2209}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 80   and name HN  ))
      2.300     0.600     0.600 peak  2209 spectrum    1 weight  0.10000E+01 volume  0.10239E-01 ppm1      4.019 ppm2      8.418 CV     1
 OR { 2209}
   (( segid "    " and resid 80   and name HA2 ))
   (( segid "    " and resid 80   and name HN  ))
 ASSI { 2211}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 79   and name HN  ))
      4.900     3.000     1.100 peak  2211 spectrum    1 weight  0.10000E+01 volume  0.50433E-03 ppm1      4.022 ppm2      8.878 CV     1
 OR { 2211}
   (( segid "    " and resid 80   and name HA2 ))
   (( segid "    " and resid 79   and name HN  ))
 ASSI { 2212}
   (( segid "    " and resid 57   and name HA1 ))
   (( segid "    " and resid 54   and name HA  ))
      3.600     1.600     1.600 peak  2212 spectrum    1 weight  0.10000E+01 volume  0.80341E-03 ppm1      4.082 ppm2      4.366 CV     1
 OR { 2212}
   (( segid "    " and resid 57   and name HA2 ))
   (( segid "    " and resid 54   and name HA  ))
 ASSI { 2213}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 81   and name HA  ))
      3.800     1.800     1.800 peak  2213 spectrum    1 weight  0.10000E+01 volume  0.89609E-03 ppm1      4.017 ppm2      4.463 CV     1
 OR { 2213}
   (( segid "    " and resid 80   and name HA2 ))
   (( segid "    " and resid 81   and name HA  ))
 ASSI { 2215}
   (( segid "    " and resid 80   and name HA2 ))
   (( segid "    " and resid 79   and name HA  ))
      4.900     3.000     1.100 peak  2215 spectrum    1 weight  0.10000E+01 volume  0.21762E-03 ppm1      4.015 ppm2      4.904 CV     1
 OR { 2215}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 79   and name HA  ))
 ASSI { 2218}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 78   and name HA  ))
      4.700     2.700     1.300 peak  2218 spectrum    1 weight  0.10000E+01 volume  0.49261E-03 ppm1      4.021 ppm2      3.746 CV     1
 OR { 2218}
   (( segid "    " and resid 80   and name HA2 ))
   (( segid "    " and resid 78   and name HA  ))
 ASSI { 2221}
   (( segid "    " and resid 80   and name HA2 ))
   (( segid "    " and resid 79   and name HB1 ))
      4.400     2.500     1.600 peak  2221 spectrum    1 weight  0.10000E+01 volume  0.33177E-03 ppm1      4.017 ppm2      3.092 CV     1
 OR { 2221}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 79   and name HB1 ))
 ASSI { 2222}
   (( segid "    " and resid 80   and name HA2 ))
   (( segid "    " and resid 79   and name HB2 ))
      4.900     3.000     1.100 peak  2222 spectrum    1 weight  0.10000E+01 volume  0.27230E-03 ppm1      4.018 ppm2      2.757 CV     1
 OR { 2222}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 79   and name HB2 ))
 ASSI { 2225}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 71   and name HG2 ))
      2.600     0.800     0.800 peak  2225 spectrum    1 weight  0.10000E+01 volume  0.15731E-02 ppm1      2.797 ppm2      1.296 CV     1
 ASSI { 2226}
   (( segid "    " and resid 71   and name HD2 ))
   (  segid "    " and resid 70   and name HG2%)
      4.100     2.100     1.900 peak  2226 spectrum    1 weight  0.10000E+01 volume  0.96581E-03 ppm1      2.795 ppm2      1.083 CV     1
 ASSI { 2229}
   (( segid "    " and resid 61   and name HD2 ))
   (  segid "    " and resid 60   and name HD1%)
      4.600     2.700     1.400 peak  2229 spectrum    1 weight  0.10000E+01 volume  0.50059E-03 ppm1      3.568 ppm2      0.833 CV     1
 ASSI { 2230}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 71   and name HG2 ))
      2.900     1.000     1.000 peak  2230 spectrum    1 weight  0.10000E+01 volume  0.20444E-02 ppm1      4.025 ppm2      1.299 CV     1
 ASSI { 2233}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 61   and name HB1 ))
      4.100     2.100     1.900 peak  2233 spectrum    1 weight  0.10000E+01 volume  0.11440E-02 ppm1      3.571 ppm2      2.540 CV     1
 ASSI { 2234}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 61   and name HG2 ))
      2.400     0.700     0.700 peak  2234 spectrum    1 weight  0.10000E+01 volume  0.60758E-02 ppm1      3.569 ppm2      2.137 CV     1
 OR { 2234}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 61   and name HG1 ))
 ASSI { 2236}
   (( segid "    " and resid 61   and name HD1 ))
   (( segid "    " and resid 61   and name HG1 ))
      2.400     0.700     0.700 peak  2236 spectrum    1 weight  0.10000E+01 volume  0.57532E-02 ppm1      4.005 ppm2      2.128 CV     1
 OR { 2236}
   (( segid "    " and resid 61   and name HD1 ))
   (( segid "    " and resid 61   and name HG2 ))
 ASSI { 2237}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 71   and name HD2 ))
      1.800     0.400     0.400 peak  2237 spectrum    1 weight  0.10000E+01 volume  0.75524E-02 ppm1      4.023 ppm2      2.797 CV     1
 ASSI { 2239}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 31   and name HA  ))
      4.600     2.700     1.400 peak  2239 spectrum    1 weight  0.10000E+01 volume  0.59336E-03 ppm1      4.025 ppm2      3.310 CV     1
 ASSI { 2240}
   (( segid "    " and resid 61   and name HD1 ))
   (( segid "    " and resid 61   and name HD2 ))
      1.600     0.300     0.600 peak  2240 spectrum    1 weight  0.10000E+01 volume  0.20031E-01 ppm1      4.006 ppm2      3.571 CV     1
 ASSI { 2241}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 71   and name HG1 ))
      3.300     1.300     1.300 peak  2241 spectrum    1 weight  0.10000E+01 volume  0.17959E-02 ppm1      2.795 ppm2      2.175 CV     1
 ASSI { 2242}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 71   and name HB2 ))
      3.500     1.500     1.500 peak  2242 spectrum    1 weight  0.10000E+01 volume  0.55485E-03 ppm1      2.793 ppm2      1.998 CV     1
 ASSI { 2244}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 60   and name HA  ))
      2.300     0.600     0.600 peak  2244 spectrum    1 weight  0.10000E+01 volume  0.53993E-02 ppm1      3.570 ppm2      4.659 CV     1
 ASSI { 2246}
   (( segid "    " and resid 61   and name HD1 ))
   (( segid "    " and resid 60   and name HA  ))
      2.100     0.500     0.500 peak  2246 spectrum    1 weight  0.10000E+01 volume  0.10900E-01 ppm1      4.006 ppm2      4.661 CV     1
 ASSI { 2247}
   (( segid "    " and resid 61   and name HD1 ))
   (( segid "    " and resid 61   and name HA  ))
      3.700     1.700     1.700 peak  2247 spectrum    1 weight  0.10000E+01 volume  0.73786E-03 ppm1      4.007 ppm2      4.535 CV     1
 ASSI { 2248}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 70   and name HA  ))
      2.300     0.700     0.700 peak  2248 spectrum    1 weight  0.10000E+01 volume  0.24253E-02 ppm1      4.022 ppm2      4.966 CV     1
 ASSI { 2252}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 70   and name HA  ))
      2.900     1.100     1.100 peak  2252 spectrum    1 weight  0.10000E+01 volume  0.25314E-02 ppm1      2.795 ppm2      4.966 CV     1
 ASSI { 2253}
   (( segid "    " and resid 71   and name HD2 ))
   (  segid "    " and resid 35   and name HE% )
      4.700     2.800     1.300 peak  2253 spectrum    1 weight  0.10000E+01 volume  0.49527E-03 ppm1      2.799 ppm2      6.913 CV     1
 OR { 2253}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 35   and name HZ  ))
 ASSI { 2256}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 72   and name HN  ))
      3.500     1.500     1.500 peak  2256 spectrum    1 weight  0.10000E+01 volume  0.41925E-03 ppm1      2.791 ppm2      8.985 CV     1
 ASSI { 2257}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 72   and name HN  ))
      4.000     2.000     2.000 peak  2257 spectrum    1 weight  0.10000E+01 volume  0.10162E-02 ppm1      4.019 ppm2      8.990 CV     1
 ASSI { 2258}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 86   and name HN  ))
      2.700     0.900     0.900 peak  2258 spectrum    1 weight  0.10000E+01 volume  0.36325E-02 ppm1      4.471 ppm2      7.971 CV     1
 ASSI { 2259}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HN  ))
      2.800     1.000     1.000 peak  2259 spectrum    1 weight  0.10000E+01 volume  0.33871E-02 ppm1      4.472 ppm2      7.825 CV     1
 ASSI { 2261}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      3.000     1.100     1.100 peak  2261 spectrum    1 weight  0.10000E+01 volume  0.49256E-02 ppm1      4.371 ppm2      8.246 CV     1
 ASSI { 2263}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 42   and name HN  ))
      2.500     0.800     0.800 peak  2263 spectrum    1 weight  0.10000E+01 volume  0.57253E-02 ppm1      4.748 ppm2      8.920 CV     1
 ASSI { 2264}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HN  ))
      3.000     1.200     1.200 peak  2264 spectrum    1 weight  0.10000E+01 volume  0.18755E-02 ppm1      4.750 ppm2      7.965 CV     1
 ASSI { 2265}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HB1 ))
      2.600     0.800     0.800 peak  2265 spectrum    1 weight  0.10000E+01 volume  0.52986E-02 ppm1      4.750 ppm2      3.307 CV     1
 ASSI { 2266}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HB2 ))
      2.800     1.000     1.000 peak  2266 spectrum    1 weight  0.10000E+01 volume  0.44606E-02 ppm1      4.749 ppm2      2.855 CV     1
 ASSI { 2277}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 23   and name HA1 ))
      4.600     2.700     1.400 peak  2277 spectrum    1 weight  0.10000E+01 volume  0.88230E-03 ppm1      4.374 ppm2      4.092 CV     1
 OR { 2277}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 23   and name HA2 ))
 ASSI { 2282}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      2.900     1.000     1.000 peak  2282 spectrum    1 weight  0.10000E+01 volume  0.20407E-02 ppm1      4.709 ppm2      8.597 CV     1
 ASSI { 2286}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HB2 ))
      2.600     0.800     0.800 peak  2286 spectrum    1 weight  0.10000E+01 volume  0.40934E-02 ppm1      4.714 ppm2      2.752 CV     1
 ASSI { 2292}
   (( segid "    " and resid 25   and name HA  ))
   (  segid "    " and resid 14   and name HD2%)
      4.600     2.700     1.400 peak  2292 spectrum    1 weight  0.10000E+01 volume  0.93752E-03 ppm1      4.713 ppm2      0.922 CV     1
 ASSI { 2294}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      2.200     0.600     0.600 peak  2294 spectrum    1 weight  0.10000E+01 volume  0.73632E-02 ppm1      4.309 ppm2      8.456 CV     1
 ASSI { 2295}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      2.700     0.900     0.900 peak  2295 spectrum    1 weight  0.10000E+01 volume  0.26299E-02 ppm1      4.359 ppm2      8.462 CV     1
 ASSI { 2296}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 82   and name HN  ))
      3.300     1.400     1.400 peak  2296 spectrum    1 weight  0.10000E+01 volume  0.15187E-02 ppm1      4.454 ppm2      8.274 CV     1
 ASSI { 2298}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 84   and name HN  ))
      3.400     1.500     1.500 peak  2298 spectrum    1 weight  0.10000E+01 volume  0.88589E-03 ppm1      4.456 ppm2      7.753 CV     1
 ASSI { 2301}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HN  ))
      2.600     0.800     0.800 peak  2301 spectrum    1 weight  0.10000E+01 volume  0.54264E-02 ppm1      4.279 ppm2      7.958 CV     1
 ASSI { 2303}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 84   and name HN  ))
      2.900     1.000     1.000 peak  2303 spectrum    1 weight  0.10000E+01 volume  0.40977E-02 ppm1      4.278 ppm2      7.746 CV     1
 ASSI { 2304}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      2.900     1.000     1.000 peak  2304 spectrum    1 weight  0.10000E+01 volume  0.23024E-02 ppm1      4.303 ppm2      7.203 CV     1
 ASSI { 2308}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 30   and name HB1 ))
      3.800     1.800     1.800 peak  2308 spectrum    1 weight  0.10000E+01 volume  0.10645E-02 ppm1      4.358 ppm2      3.291 CV     1
 ASSI { 2309}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
      4.300     2.400     1.700 peak  2309 spectrum    1 weight  0.10000E+01 volume  0.11605E-02 ppm1      4.360 ppm2      3.009 CV     1
 ASSI { 2315}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HB1 ))
      2.500     0.800     0.800 peak  2315 spectrum    1 weight  0.10000E+01 volume  0.48338E-02 ppm1      4.310 ppm2      1.772 CV     1
 OR { 2315}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HG  ))
 ASSI { 2317}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HB2 ))
      3.000     1.100     1.100 peak  2317 spectrum    1 weight  0.10000E+01 volume  0.33400E-02 ppm1      4.308 ppm2      1.408 CV     1
 ASSI { 2319}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HG  ))
      3.700     1.700     1.700 peak  2319 spectrum    1 weight  0.10000E+01 volume  0.19253E-02 ppm1      4.361 ppm2      1.570 CV     1
 ASSI { 2320}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HB1 ))
      2.400     0.700     0.700 peak  2320 spectrum    1 weight  0.10000E+01 volume  0.34790E-02 ppm1      4.360 ppm2      1.448 CV     1
 ASSI { 2321}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HB2 ))
      2.700     0.900     0.900 peak  2321 spectrum    1 weight  0.10000E+01 volume  0.42958E-02 ppm1      4.359 ppm2      1.231 CV     1
 ASSI { 2327}
   (( segid "    " and resid 83   and name HA  ))
   (  segid "    " and resid 4    and name HD1%)
      2.800     1.000     1.000 peak  2327 spectrum    1 weight  0.10000E+01 volume  0.13466E-02 ppm1      4.279 ppm2      0.879 CV     1
 ASSI { 2330}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HB1 ))
      2.700     0.900     0.900 peak  2330 spectrum    1 weight  0.10000E+01 volume  0.48551E-02 ppm1      4.626 ppm2      2.080 CV     1
 ASSI { 2331}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HG1 ))
      2.800     1.000     1.000 peak  2331 spectrum    1 weight  0.10000E+01 volume  0.38522E-02 ppm1      4.620 ppm2      1.728 CV     1
 OR { 2331}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HG2 ))
 ASSI { 2333}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HN  ))
      2.800     1.000     1.000 peak  2333 spectrum    1 weight  0.10000E+01 volume  0.25778E-02 ppm1      5.259 ppm2      9.074 CV     1
 ASSI { 2334}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 70   and name HN  ))
      3.200     1.300     1.300 peak  2334 spectrum    1 weight  0.10000E+01 volume  0.13137E-02 ppm1      5.263 ppm2      7.469 CV     1
 ASSI { 2335}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 35   and name HD% )
      2.800     1.000     1.000 peak  2335 spectrum    1 weight  0.10000E+01 volume  0.14504E-02 ppm1      5.262 ppm2      7.108 CV     1
 ASSI { 2336}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HN  ))
      2.900     1.000     1.000 peak  2336 spectrum    1 weight  0.10000E+01 volume  0.25053E-02 ppm1      4.615 ppm2      7.454 CV     1
 ASSI { 2338}
   (( segid "    " and resid 5    and name HA  ))
   (  segid "    " and resid 5    and name HD2%)
      2.500     0.800     0.800 peak  2338 spectrum    1 weight  0.10000E+01 volume  0.43588E-02 ppm1      4.522 ppm2      0.626 CV     1
 OR { 2338}
   (( segid "    " and resid 5    and name HA  ))
   (  segid "    " and resid 5    and name HD1%)
 ASSI { 2345}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 45   and name HD2%)
      4.300     2.300     1.700 peak  2345 spectrum    1 weight  0.10000E+01 volume  0.62173E-03 ppm1      3.968 ppm2      0.356 CV     1
 ASSI { 2346}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 45   and name HD1%)
      4.400     2.400     1.600 peak  2346 spectrum    1 weight  0.10000E+01 volume  0.55165E-03 ppm1      3.963 ppm2      0.199 CV     1
 ASSI { 2348}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 5    and name HB2 ))
      4.100     2.100     1.900 peak  2348 spectrum    1 weight  0.10000E+01 volume  0.10389E-02 ppm1      4.356 ppm2      1.368 CV     1
 ASSI { 2350}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
      3.100     1.200     1.200 peak  2350 spectrum    1 weight  0.10000E+01 volume  0.12470E-02 ppm1      4.403 ppm2      2.147 CV     1
 ASSI { 2352}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 53   and name HB1 ))
      3.800     1.800     1.800 peak  2352 spectrum    1 weight  0.10000E+01 volume  0.22974E-02 ppm1      4.251 ppm2      2.510 CV     1
 ASSI { 2353}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 53   and name HB2 ))
      2.500     0.800     0.800 peak  2353 spectrum    1 weight  0.10000E+01 volume  0.35055E-02 ppm1      4.251 ppm2      2.350 CV     1
 ASSI { 2356}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 47   and name HB1 ))
      2.600     0.900     0.900 peak  2356 spectrum    1 weight  0.10000E+01 volume  0.27389E-02 ppm1      4.306 ppm2      2.346 CV     1
 ASSI { 2357}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 47   and name HB2 ))
      3.600     1.600     1.600 peak  2357 spectrum    1 weight  0.10000E+01 volume  0.14301E-02 ppm1      4.307 ppm2      2.209 CV     1
 ASSI { 2358}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 53   and name HG1 ))
      3.700     1.700     1.700 peak  2358 spectrum    1 weight  0.10000E+01 volume  0.91353E-03 ppm1      4.251 ppm2      2.753 CV     1
 ASSI { 2359}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HB1 ))
      2.600     0.800     0.800 peak  2359 spectrum    1 weight  0.10000E+01 volume  0.63383E-02 ppm1      4.511 ppm2      2.823 CV     1
 ASSI { 2362}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 50   and name HB% )
      2.200     0.600     0.600 peak  2362 spectrum    1 weight  0.10000E+01 volume  0.13177E-01 ppm1      4.250 ppm2      1.648 CV     1
 ASSI { 2369}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      3.200     1.300     1.300 peak  2369 spectrum    1 weight  0.10000E+01 volume  0.16099E-02 ppm1      4.511 ppm2      7.399 CV     1
 ASSI { 2372}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      2.700     0.900     0.900 peak  2372 spectrum    1 weight  0.10000E+01 volume  0.40449E-02 ppm1      4.399 ppm2      7.703 CV     1
 ASSI { 2374}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      3.300     1.300     1.300 peak  2374 spectrum    1 weight  0.10000E+01 volume  0.12107E-02 ppm1      4.395 ppm2      8.216 CV     1
 ASSI { 2375}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      4.000     2.000     2.000 peak  2375 spectrum    1 weight  0.10000E+01 volume  0.46563E-03 ppm1      4.390 ppm2      8.409 CV     1
 ASSI { 2376}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 66   and name HN  ))
      3.600     1.700     1.700 peak  2376 spectrum    1 weight  0.10000E+01 volume  0.66589E-03 ppm1      4.510 ppm2      8.023 CV     1
 ASSI { 2377}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 65   and name HN  ))
      3.900     1.900     1.900 peak  2377 spectrum    1 weight  0.10000E+01 volume  0.76486E-03 ppm1      4.507 ppm2      8.210 CV     1
 ASSI { 2378}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HN  ))
      2.800     1.000     1.000 peak  2378 spectrum    1 weight  0.10000E+01 volume  0.30916E-02 ppm1      4.511 ppm2      8.632 CV     1
 ASSI { 2379}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HN  ))
      2.600     0.800     0.800 peak  2379 spectrum    1 weight  0.10000E+01 volume  0.35391E-02 ppm1      3.966 ppm2      8.213 CV     1
 ASSI { 2380}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 66   and name HN  ))
      3.200     1.200     1.200 peak  2380 spectrum    1 weight  0.10000E+01 volume  0.16549E-02 ppm1      3.965 ppm2      8.026 CV     1
 ASSI { 2383}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      3.300     1.400     1.400 peak  2383 spectrum    1 weight  0.10000E+01 volume  0.15327E-02 ppm1      4.250 ppm2      8.985 CV     1
 ASSI { 2384}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 6    and name HN  ))
      2.100     0.500     0.500 peak  2384 spectrum    1 weight  0.10000E+01 volume  0.10954E-01 ppm1      4.521 ppm2      9.030 CV     1
 ASSI { 2385}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      2.700     0.900     0.900 peak  2385 spectrum    1 weight  0.10000E+01 volume  0.23054E-02 ppm1      4.522 ppm2      9.430 CV     1
 ASSI { 2386}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      2.000     0.500     0.500 peak  2386 spectrum    1 weight  0.10000E+01 volume  0.11304E-01 ppm1      4.357 ppm2      9.429 CV     1
 ASSI { 2387}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HN  ))
      2.700     0.900     0.900 peak  2387 spectrum    1 weight  0.10000E+01 volume  0.36384E-02 ppm1      4.307 ppm2      8.157 CV     1
 ASSI { 2388}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
      2.800     1.000     1.000 peak  2388 spectrum    1 weight  0.10000E+01 volume  0.24877E-02 ppm1      4.357 ppm2      8.148 CV     1
 ASSI { 2389}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      2.800     1.000     1.000 peak  2389 spectrum    1 weight  0.10000E+01 volume  0.27869E-02 ppm1      4.254 ppm2      8.228 CV     1
 ASSI { 2390}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      3.400     1.400     1.400 peak  2390 spectrum    1 weight  0.10000E+01 volume  0.14185E-02 ppm1      4.250 ppm2      8.098 CV     1
 ASSI { 2391}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      3.200     1.200     1.200 peak  2391 spectrum    1 weight  0.10000E+01 volume  0.13073E-02 ppm1      3.949 ppm2      8.402 CV     1
 ASSI { 2392}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      3.700     1.700     1.700 peak  2392 spectrum    1 weight  0.10000E+01 volume  0.74132E-03 ppm1      3.946 ppm2      8.231 CV     1
 ASSI { 2393}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      4.100     2.100     1.900 peak  2393 spectrum    1 weight  0.10000E+01 volume  0.39937E-03 ppm1      3.943 ppm2      8.104 CV     1
 ASSI { 2395}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      2.700     0.900     0.900 peak  2395 spectrum    1 weight  0.10000E+01 volume  0.31367E-02 ppm1      3.949 ppm2      8.762 CV     1
 ASSI { 2398}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 63   and name HN  ))
      3.200     1.300     1.300 peak  2398 spectrum    1 weight  0.10000E+01 volume  0.21969E-02 ppm1      4.450 ppm2      8.635 CV     1
 ASSI { 2400}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 85   and name HN  ))
      3.000     1.200     1.200 peak  2400 spectrum    1 weight  0.10000E+01 volume  0.25057E-02 ppm1      4.392 ppm2      7.820 CV     1
 ASSI { 2401}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HN  ))
      2.700     0.900     0.900 peak  2401 spectrum    1 weight  0.10000E+01 volume  0.37723E-02 ppm1      4.389 ppm2      7.742 CV     1
 ASSI { 2404}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 66   and name HN  ))
      4.100     2.100     1.900 peak  2404 spectrum    1 weight  0.10000E+01 volume  0.36126E-03 ppm1      4.447 ppm2      8.028 CV     1
 ASSI { 2406}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      3.800     1.800     1.800 peak  2406 spectrum    1 weight  0.10000E+01 volume  0.58654E-03 ppm1      4.451 ppm2      7.394 CV     1
 ASSI { 2407}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HB2 ))
      2.800     1.000     1.000 peak  2407 spectrum    1 weight  0.10000E+01 volume  0.52181E-02 ppm1      4.450 ppm2      2.749 CV     1
 ASSI { 2408}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HG2 ))
      3.100     1.200     1.200 peak  2408 spectrum    1 weight  0.10000E+01 volume  0.19611E-02 ppm1      4.389 ppm2      2.467 CV     1
 ASSI { 2409}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HB1 ))
      2.600     0.800     0.800 peak  2409 spectrum    1 weight  0.10000E+01 volume  0.44237E-02 ppm1      4.388 ppm2      2.277 CV     1
 ASSI { 2410}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HB2 ))
      3.200     1.300     1.300 peak  2410 spectrum    1 weight  0.10000E+01 volume  0.25626E-02 ppm1      4.388 ppm2      2.130 CV     1
 ASSI { 2412}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HG2 ))
      2.800     1.000     1.000 peak  2412 spectrum    1 weight  0.10000E+01 volume  0.41214E-02 ppm1      4.474 ppm2      2.406 CV     1
 OR { 2412}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HG1 ))
 ASSI { 2413}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB1 ))
      2.600     0.800     0.800 peak  2413 spectrum    1 weight  0.10000E+01 volume  0.51467E-02 ppm1      4.475 ppm2      2.233 CV     1
 ASSI { 2414}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB2 ))
      2.800     1.000     1.000 peak  2414 spectrum    1 weight  0.10000E+01 volume  0.32367E-02 ppm1      4.473 ppm2      2.069 CV     1
 ASSI { 2416}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HG  ))
      2.900     1.000     1.000 peak  2416 spectrum    1 weight  0.10000E+01 volume  0.25295E-02 ppm1      4.210 ppm2      1.839 CV     1
 ASSI { 2418}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 49   and name HB% )
      2.200     0.600     0.600 peak  2418 spectrum    1 weight  0.10000E+01 volume  0.10455E-01 ppm1      3.948 ppm2      1.522 CV     1
 ASSI { 2419}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 52   and name HB2 ))
      3.000     1.100     1.100 peak  2419 spectrum    1 weight  0.10000E+01 volume  0.99922E-03 ppm1      3.951 ppm2      1.427 CV     1
 ASSI { 2425}
   (( segid "    " and resid 82   and name HA  ))
   (  segid "    " and resid 82   and name HD2%)
      2.000     0.500     0.500 peak  2425 spectrum    1 weight  0.10000E+01 volume  0.13315E-01 ppm1      4.210 ppm2      0.978 CV     1
 OR { 2425}
   (( segid "    " and resid 82   and name HA  ))
   (  segid "    " and resid 82   and name HD1%)
 ASSI { 2429}
   (( segid "    " and resid 30   and name HA  ))
   (  segid "    " and resid 30   and name HD% )
      4.000     2.000     2.000 peak  2429 spectrum    1 weight  0.10000E+01 volume  0.10580E-02 ppm1      4.737 ppm2      7.304 CV     1
 ASSI { 2430}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
      2.500     0.800     0.800 peak  2430 spectrum    1 weight  0.10000E+01 volume  0.40879E-02 ppm1      4.740 ppm2      3.000 CV     1
 ASSI { 2432}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HB1 ))
      2.400     0.700     0.700 peak  2432 spectrum    1 weight  0.10000E+01 volume  0.54963E-02 ppm1      4.735 ppm2      3.291 CV     1
 ASSI { 2433}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 71   and name HD2 ))
      4.100     2.100     1.900 peak  2433 spectrum    1 weight  0.10000E+01 volume  0.63239E-03 ppm1      4.736 ppm2      2.785 CV     1
 ASSI { 2434}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 33   and name HG  ))
      3.400     1.400     1.400 peak  2434 spectrum    1 weight  0.10000E+01 volume  0.27260E-02 ppm1      4.727 ppm2      1.768 CV     1
 OR { 2434}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 33   and name HB1 ))
 ASSI { 2435}
   (( segid "    " and resid 30   and name HA  ))
   (  segid "    " and resid 33   and name HD2%)
      2.700     0.900     0.900 peak  2435 spectrum    1 weight  0.10000E+01 volume  0.49163E-02 ppm1      4.737 ppm2      1.064 CV     1
 ASSI { 2439}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
      2.500     0.800     0.800 peak  2439 spectrum    1 weight  0.10000E+01 volume  0.41492E-02 ppm1      4.625 ppm2      2.054 CV     1
 OR { 2439}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI { 2446}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 79   and name HB1 ))
      4.000     2.000     2.000 peak  2446 spectrum    1 weight  0.10000E+01 volume  0.24984E-02 ppm1      4.484 ppm2      3.092 CV     1
 ASSI { 2448}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HB1 ))
      2.800     1.000     1.000 peak  2448 spectrum    1 weight  0.10000E+01 volume  0.22726E-02 ppm1      4.586 ppm2      3.015 CV     1
 ASSI { 2449}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HB1 ))
      2.800     1.000     1.000 peak  2449 spectrum    1 weight  0.10000E+01 volume  0.26430E-02 ppm1      4.544 ppm2      3.038 CV     1
 ASSI { 2453}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 40   and name HD% )
      2.800     0.900     0.900 peak  2453 spectrum    1 weight  0.10000E+01 volume  0.24238E-02 ppm1      4.585 ppm2      6.967 CV     1
 ASSI { 2455}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      3.000     1.100     1.100 peak  2455 spectrum    1 weight  0.10000E+01 volume  0.20214E-02 ppm1      4.587 ppm2      8.062 CV     1
 ASSI { 2456}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 41   and name HN  ))
      2.300     0.600     0.600 peak  2456 spectrum    1 weight  0.10000E+01 volume  0.81309E-02 ppm1      4.586 ppm2      7.970 CV     1
 ASSI { 2462}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      2.700     0.900     0.900 peak  2462 spectrum    1 weight  0.10000E+01 volume  0.25460E-02 ppm1      3.306 ppm2      7.509 CV     1
 ASSI { 2463}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 30   and name HD% )
      3.600     1.700     1.700 peak  2463 spectrum    1 weight  0.10000E+01 volume  0.82778E-03 ppm1      3.303 ppm2      7.306 CV     1
 ASSI { 2466}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
      2.500     0.800     0.800 peak  2466 spectrum    1 weight  0.10000E+01 volume  0.35531E-02 ppm1      3.881 ppm2      8.463 CV     1
 ASSI { 2468}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      2.600     0.900     0.900 peak  2468 spectrum    1 weight  0.10000E+01 volume  0.29993E-02 ppm1      4.303 ppm2      8.405 CV     1
 ASSI { 2469}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HN  ))
      2.600     0.800     0.800 peak  2469 spectrum    1 weight  0.10000E+01 volume  0.38122E-02 ppm1      4.272 ppm2      8.008 CV     1
 ASSI { 2470}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      4.100     2.100     1.900 peak  2470 spectrum    1 weight  0.10000E+01 volume  0.37083E-03 ppm1      4.202 ppm2      8.396 CV     1
 ASSI { 2473}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      3.400     1.500     1.500 peak  2473 spectrum    1 weight  0.10000E+01 volume  0.97184E-03 ppm1      4.306 ppm2      8.993 CV     1
 ASSI { 2474}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
      3.500     1.500     1.500 peak  2474 spectrum    1 weight  0.10000E+01 volume  0.93092E-03 ppm1      4.300 ppm2      8.724 CV     1
 ASSI { 2476}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 79   and name HN  ))
      3.500     1.500     1.500 peak  2476 spectrum    1 weight  0.10000E+01 volume  0.13642E-02 ppm1      4.482 ppm2      8.880 CV     1
 ASSI { 2479}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      2.700     0.900     0.900 peak  2479 spectrum    1 weight  0.10000E+01 volume  0.24287E-02 ppm1      4.395 ppm2      8.394 CV     1
 ASSI { 2480}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 80   and name HN  ))
      3.900     1.900     1.900 peak  2480 spectrum    1 weight  0.10000E+01 volume  0.74729E-03 ppm1      4.482 ppm2      8.408 CV     1
 ASSI { 2482}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 79   and name HD22))
      4.200     2.200     1.800 peak  2482 spectrum    1 weight  0.10000E+01 volume  0.89570E-03 ppm1      4.479 ppm2      7.665 CV     1
 ASSI { 2484}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
      2.800     0.900     0.900 peak  2484 spectrum    1 weight  0.10000E+01 volume  0.23621E-02 ppm1      4.306 ppm2      7.713 CV     1
 ASSI { 2485}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      3.500     1.500     1.500 peak  2485 spectrum    1 weight  0.10000E+01 volume  0.11322E-02 ppm1      4.208 ppm2      7.700 CV     1
 ASSI { 2486}
   (( segid "    " and resid 52   and name HA  ))
   (  segid "    " and resid 56   and name HD% )
      2.700     0.900     0.900 peak  2486 spectrum    1 weight  0.10000E+01 volume  0.27201E-02 ppm1      4.308 ppm2      7.441 CV     1
 ASSI { 2487}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
      3.100     1.200     1.200 peak  2487 spectrum    1 weight  0.10000E+01 volume  0.16660E-02 ppm1      4.281 ppm2      7.743 CV     1
 ASSI { 2488}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 40   and name HD% )
      3.600     1.600     1.600 peak  2488 spectrum    1 weight  0.10000E+01 volume  0.96382E-03 ppm1      3.882 ppm2      6.964 CV     1
 ASSI { 2492}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 40   and name HE% )
      4.400     2.500     1.600 peak  2492 spectrum    1 weight  0.10000E+01 volume  0.56164E-03 ppm1      4.395 ppm2      6.759 CV     1
 ASSI { 2493}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 71   and name HA  ))
      4.800     2.900     1.200 peak  2493 spectrum    1 weight  0.10000E+01 volume  0.56344E-03 ppm1      3.303 ppm2      4.227 CV     1
 ASSI { 2502}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 71   and name HB1 ))
      3.600     1.600     1.600 peak  2502 spectrum    1 weight  0.10000E+01 volume  0.33708E-02 ppm1      3.306 ppm2      2.236 CV     1
 ASSI { 2503}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 71   and name HB2 ))
      2.200     0.600     0.600 peak  2503 spectrum    1 weight  0.10000E+01 volume  0.53759E-02 ppm1      3.305 ppm2      2.007 CV     1
 ASSI { 2504}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 72   and name HB1 ))
      4.500     2.500     1.500 peak  2504 spectrum    1 weight  0.10000E+01 volume  0.61919E-03 ppm1      3.306 ppm2      1.868 CV     1
 ASSI { 2506}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HB1 ))
      2.600     0.900     0.900 peak  2506 spectrum    1 weight  0.10000E+01 volume  0.40294E-02 ppm1      3.882 ppm2      1.633 CV     1
 ASSI { 2510}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HB1 ))
      2.200     0.600     0.600 peak  2510 spectrum    1 weight  0.10000E+01 volume  0.70078E-02 ppm1      4.275 ppm2      2.032 CV     1
 ASSI { 2517}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB1 ))
      3.000     1.100     1.100 peak  2517 spectrum    1 weight  0.10000E+01 volume  0.23433E-02 ppm1      4.392 ppm2      1.980 CV     1
 ASSI { 2518}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HG  ))
      2.900     1.100     1.100 peak  2518 spectrum    1 weight  0.10000E+01 volume  0.23177E-02 ppm1      4.393 ppm2      1.882 CV     1
 ASSI { 2520}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB2 ))
      2.500     0.800     0.800 peak  2520 spectrum    1 weight  0.10000E+01 volume  0.26672E-02 ppm1      4.392 ppm2      1.447 CV     1
 ASSI { 2522}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HG  ))
      3.000     1.200     1.200 peak  2522 spectrum    1 weight  0.10000E+01 volume  0.22046E-02 ppm1      4.208 ppm2      1.885 CV     1
 ASSI { 2528}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HB2 ))
      2.800     1.000     1.000 peak  2528 spectrum    1 weight  0.10000E+01 volume  0.35838E-02 ppm1      4.308 ppm2      1.446 CV     1
 ASSI { 2529}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 71   and name HG2 ))
      3.300     1.400     1.400 peak  2529 spectrum    1 weight  0.10000E+01 volume  0.75870E-03 ppm1      3.306 ppm2      1.310 CV     1
 ASSI { 2531}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 31   and name HD2%)
      3.400     1.500     1.500 peak  2531 spectrum    1 weight  0.10000E+01 volume  0.15567E-02 ppm1      3.306 ppm2      0.774 CV     1
 ASSI { 2532}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
      3.100     1.200     1.200 peak  2532 spectrum    1 weight  0.10000E+01 volume  0.20477E-02 ppm1      3.307 ppm2      1.024 CV     1
 ASSI { 2543}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 48   and name HG2%)
      2.600     0.800     0.800 peak  2543 spectrum    1 weight  0.10000E+01 volume  0.25953E-02 ppm1      4.395 ppm2      1.120 CV     1
 ASSI { 2545}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 14   and name HD1%)
      2.200     0.600     0.600 peak  2545 spectrum    1 weight  0.10000E+01 volume  0.69623E-02 ppm1      4.395 ppm2      0.758 CV     1
 ASSI { 2546}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 5    and name HD1%)
      3.400     1.400     1.400 peak  2546 spectrum    1 weight  0.10000E+01 volume  0.13108E-02 ppm1      4.205 ppm2      0.628 CV     1
 OR { 2546}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 5    and name HD2%)
 ASSI { 2547}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 45   and name HD2%)
      3.500     1.600     1.600 peak  2547 spectrum    1 weight  0.10000E+01 volume  0.34093E-02 ppm1      3.882 ppm2      0.356 CV     1
 ASSI { 2557}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
      2.800     1.000     1.000 peak  2557 spectrum    1 weight  0.10000E+01 volume  0.25858E-02 ppm1      4.689 ppm2      7.527 CV     1
 ASSI { 2560}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 59   and name HN  ))
      2.200     0.600     0.600 peak  2560 spectrum    1 weight  0.10000E+01 volume  0.11881E-01 ppm1      4.682 ppm2      8.484 CV     1
 ASSI { 2561}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HB2 ))
      3.400     1.400     1.400 peak  2561 spectrum    1 weight  0.10000E+01 volume  0.15690E-02 ppm1      4.691 ppm2      2.766 CV     1
 ASSI { 2564}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      2.700     0.900     0.900 peak  2564 spectrum    1 weight  0.10000E+01 volume  0.34753E-02 ppm1      4.362 ppm2      9.548 CV     1
 ASSI { 2565}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
      3.300     1.400     1.400 peak  2565 spectrum    1 weight  0.10000E+01 volume  0.12209E-02 ppm1      4.235 ppm2      8.690 CV     1
 ASSI { 2568}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
      2.500     0.800     0.800 peak  2568 spectrum    1 weight  0.10000E+01 volume  0.41334E-02 ppm1      3.886 ppm2      8.724 CV     1
 ASSI { 2569}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      3.200     1.300     1.300 peak  2569 spectrum    1 weight  0.10000E+01 volume  0.11256E-02 ppm1      4.030 ppm2      8.436 CV     1
 ASSI { 2570}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      4.100     2.100     1.900 peak  2570 spectrum    1 weight  0.10000E+01 volume  0.47501E-03 ppm1      4.030 ppm2      8.227 CV     1
 ASSI { 2571}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
      2.600     0.900     0.900 peak  2571 spectrum    1 weight  0.10000E+01 volume  0.45673E-02 ppm1      4.090 ppm2      8.075 CV     1
 ASSI { 2572}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
      3.700     1.700     1.700 peak  2572 spectrum    1 weight  0.10000E+01 volume  0.70925E-03 ppm1      4.225 ppm2      8.296 CV     1
 ASSI { 2574}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      2.500     0.800     0.800 peak  2574 spectrum    1 weight  0.10000E+01 volume  0.49060E-02 ppm1      4.204 ppm2      8.216 CV     1
 ASSI { 2576}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      2.800     1.000     1.000 peak  2576 spectrum    1 weight  0.10000E+01 volume  0.26131E-02 ppm1      4.229 ppm2      8.496 CV     1
 ASSI { 2577}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      3.500     1.500     1.500 peak  2577 spectrum    1 weight  0.10000E+01 volume  0.10187E-02 ppm1      4.234 ppm2      8.405 CV     1
 ASSI { 2580}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      3.300     1.400     1.400 peak  2580 spectrum    1 weight  0.10000E+01 volume  0.10228E-02 ppm1      4.356 ppm2      8.064 CV     1
 ASSI { 2582}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      2.600     0.900     0.900 peak  2582 spectrum    1 weight  0.10000E+01 volume  0.47766E-02 ppm1      4.235 ppm2      8.098 CV     1
 ASSI { 2585}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
      3.500     1.500     1.500 peak  2585 spectrum    1 weight  0.10000E+01 volume  0.97030E-03 ppm1      4.239 ppm2      7.706 CV     1
 ASSI { 2587}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      3.500     1.600     1.600 peak  2587 spectrum    1 weight  0.10000E+01 volume  0.89846E-03 ppm1      4.363 ppm2      7.569 CV     1
 ASSI { 2588}
   (( segid "    " and resid 55   and name HA  ))
   (  segid "    " and resid 56   and name HD% )
      4.900     3.000     1.100 peak  2588 spectrum    1 weight  0.10000E+01 volume  0.38024E-03 ppm1      4.087 ppm2      7.427 CV     1
 ASSI { 2596}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HB1 ))
      2.600     0.800     0.800 peak  2596 spectrum    1 weight  0.10000E+01 volume  0.58454E-02 ppm1      4.361 ppm2      2.258 CV     1
 ASSI { 2599}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HB1 ))
      3.000     1.100     1.100 peak  2599 spectrum    1 weight  0.10000E+01 volume  0.29719E-02 ppm1      3.886 ppm2      2.193 CV     1
 ASSI { 2601}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HB2 ))
      2.500     0.800     0.800 peak  2601 spectrum    1 weight  0.10000E+01 volume  0.45736E-02 ppm1      4.089 ppm2      1.613 CV     1
 ASSI { 2602}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HB2 ))
      2.400     0.700     0.700 peak  2602 spectrum    1 weight  0.10000E+01 volume  0.58695E-02 ppm1      4.236 ppm2      2.018 CV     1
 ASSI { 2604}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HG2 ))
      3.100     1.200     1.200 peak  2604 spectrum    1 weight  0.10000E+01 volume  0.24567E-02 ppm1      4.236 ppm2      1.738 CV     1
 ASSI { 2614}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HG2 ))
      3.000     1.100     1.100 peak  2614 spectrum    1 weight  0.10000E+01 volume  0.23374E-02 ppm1      4.088 ppm2      0.988 CV     1
 ASSI { 2618}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 15   and name HG1%)
      3.200     1.300     1.300 peak  2618 spectrum    1 weight  0.10000E+01 volume  0.15701E-02 ppm1      4.205 ppm2      1.039 CV     1
 ASSI { 2619}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 5    and name HD1%)
      3.100     1.200     1.200 peak  2619 spectrum    1 weight  0.10000E+01 volume  0.21071E-02 ppm1      3.886 ppm2      0.605 CV     1
 ASSI { 2620}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 45   and name HD2%)
      3.300     1.400     1.400 peak  2620 spectrum    1 weight  0.10000E+01 volume  0.16567E-02 ppm1      4.269 ppm2      0.354 CV     1
 ASSI { 2621}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 45   and name HD1%)
      5.100     3.300     0.900 peak  2621 spectrum    1 weight  0.10000E+01 volume  0.64652E-03 ppm1      4.271 ppm2      0.216 CV     1
 ASSI { 2622}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 58   and name HG1%)
      3.200     1.300     1.300 peak  2622 spectrum    1 weight  0.10000E+01 volume  0.42148E-02 ppm1      4.083 ppm2      0.924 CV     1
 ASSI { 2625}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HB1 ))
      3.000     1.100     1.100 peak  2625 spectrum    1 weight  0.10000E+01 volume  0.30867E-02 ppm1      3.605 ppm2      1.863 CV     1
 ASSI { 2626}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HB2 ))
      2.400     0.700     0.700 peak  2626 spectrum    1 weight  0.10000E+01 volume  0.43681E-02 ppm1      3.606 ppm2      1.634 CV     1
 OR { 2626}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HG1 ))
 ASSI { 2628}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 31   and name HG  ))
      3.900     1.900     1.900 peak  2628 spectrum    1 weight  0.10000E+01 volume  0.42024E-03 ppm1      3.607 ppm2      1.202 CV     1
 ASSI { 2633}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
      2.600     0.800     0.800 peak  2633 spectrum    1 weight  0.10000E+01 volume  0.38860E-02 ppm1      3.520 ppm2      2.035 CV     1
 OR { 2633}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI { 2635}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HG1 ))
      2.500     0.800     0.800 peak  2635 spectrum    1 weight  0.10000E+01 volume  0.35470E-02 ppm1      3.520 ppm2      1.414 CV     1
 ASSI { 2639}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 75   and name HB1 ))
      2.500     0.800     0.800 peak  2639 spectrum    1 weight  0.10000E+01 volume  0.32190E-02 ppm1      3.605 ppm2      2.190 CV     1
 ASSI { 2644}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 45   and name HB2 ))
      3.300     1.400     1.400 peak  2644 spectrum    1 weight  0.10000E+01 volume  0.29965E-02 ppm1      4.268 ppm2      1.509 CV     1
 ASSI { 2646}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 26   and name HD1%)
      5.000     3.100     1.000 peak  2646 spectrum    1 weight  0.10000E+01 volume  0.34813E-03 ppm1      3.527 ppm2      0.699 CV     1
 ASSI { 2648}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HB1 ))
      2.400     0.700     0.700 peak  2648 spectrum    1 weight  0.10000E+01 volume  0.42304E-02 ppm1      4.083 ppm2      2.514 CV     1
 ASSI { 2649}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HB2 ))
      2.400     0.700     0.700 peak  2649 spectrum    1 weight  0.10000E+01 volume  0.63453E-02 ppm1      4.083 ppm2      2.332 CV     1
 OR { 2649}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HG2 ))
 ASSI { 2651}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 11   and name HD2 ))
      2.900     1.000     1.000 peak  2651 spectrum    1 weight  0.10000E+01 volume  0.19734E-02 ppm1      4.298 ppm2      3.191 CV     1
 OR { 2651}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 11   and name HD1 ))
 ASSI { 2652}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HD1 ))
      3.400     1.400     1.400 peak  2652 spectrum    1 weight  0.10000E+01 volume  0.81861E-03 ppm1      4.032 ppm2      3.341 CV     1
 OR { 2652}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HD2 ))
 ASSI { 2654}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HD2 ))
      4.800     2.900     1.200 peak  2654 spectrum    1 weight  0.10000E+01 volume  0.60055E-03 ppm1      3.518 ppm2      3.194 CV     1
 OR { 2654}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HD1 ))
 ASSI { 2655}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 31   and name HA  ))
      4.200     2.200     1.800 peak  2655 spectrum    1 weight  0.10000E+01 volume  0.48251E-03 ppm1      3.608 ppm2      3.305 CV     1
 ASSI { 2656}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HD2 ))
      4.700     2.800     1.300 peak  2656 spectrum    1 weight  0.10000E+01 volume  0.68988E-03 ppm1      3.601 ppm2      3.017 CV     1
 ASSI { 2657}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HB1 ))
      2.100     0.500     0.500 peak  2657 spectrum    1 weight  0.10000E+01 volume  0.12551E-01 ppm1      4.299 ppm2      4.016 CV     1
 ASSI { 2658}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB1 ))
      2.600     0.900     0.900 peak  2658 spectrum    1 weight  0.10000E+01 volume  0.38486E-02 ppm1      4.563 ppm2      4.143 CV     1
 ASSI { 2659}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
      2.700     0.900     0.900 peak  2659 spectrum    1 weight  0.10000E+01 volume  0.43546E-02 ppm1      4.559 ppm2      4.054 CV     1
 ASSI { 2661}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
      3.100     1.200     1.200 peak  2661 spectrum    1 weight  0.10000E+01 volume  0.25139E-02 ppm1      4.082 ppm2      7.527 CV     1
 ASSI { 2664}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 30   and name HE% )
      3.500     1.500     1.500 peak  2664 spectrum    1 weight  0.10000E+01 volume  0.91180E-03 ppm1      3.518 ppm2      7.211 CV     1
 ASSI { 2665}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 73   and name HN  ))
      3.700     1.700     1.700 peak  2665 spectrum    1 weight  0.10000E+01 volume  0.66737E-03 ppm1      3.603 ppm2      7.838 CV     1
 ASSI { 2666}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
      4.100     2.100     1.900 peak  2666 spectrum    1 weight  0.10000E+01 volume  0.38062E-03 ppm1      3.605 ppm2      7.713 CV     1
 ASSI { 2669}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      3.400     1.400     1.400 peak  2669 spectrum    1 weight  0.10000E+01 volume  0.99762E-03 ppm1      3.520 ppm2      8.407 CV     1
 ASSI { 2670}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HN  ))
      2.800     1.000     1.000 peak  2670 spectrum    1 weight  0.10000E+01 volume  0.23175E-02 ppm1      3.604 ppm2      8.994 CV     1
 ASSI { 2677}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      2.600     0.800     0.800 peak  2677 spectrum    1 weight  0.10000E+01 volume  0.31275E-02 ppm1      4.083 ppm2      8.984 CV     1
 ASSI { 2680}
   (( segid "    " and resid 38   and name HA  ))
   (  segid "    " and resid 38   and name HG2%)
      2.400     0.700     0.700 peak  2680 spectrum    1 weight  0.10000E+01 volume  0.71445E-02 ppm1      4.667 ppm2      1.059 CV     1
 ASSI { 2681}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HB  ))
      2.400     0.700     0.700 peak  2681 spectrum    1 weight  0.10000E+01 volume  0.68847E-02 ppm1      4.668 ppm2      2.452 CV     1
 ASSI { 2683}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 69   and name HN  ))
      2.100     0.500     0.500 peak  2683 spectrum    1 weight  0.10000E+01 volume  0.12327E-01 ppm1      4.434 ppm2      9.075 CV     1
 ASSI { 2684}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      2.300     0.600     0.600 peak  2684 spectrum    1 weight  0.10000E+01 volume  0.10217E-01 ppm1      4.509 ppm2      8.491 CV     1
 ASSI { 2685}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      2.600     0.900     0.900 peak  2685 spectrum    1 weight  0.10000E+01 volume  0.35004E-02 ppm1      4.510 ppm2      8.247 CV     1
 ASSI { 2688}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HN  ))
      2.800     1.000     1.000 peak  2688 spectrum    1 weight  0.10000E+01 volume  0.18600E-02 ppm1      4.435 ppm2      7.269 CV     1
 ASSI { 2689}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 69   and name HA  ))
      4.100     2.100     1.900 peak  2689 spectrum    1 weight  0.10000E+01 volume  0.76961E-03 ppm1      4.434 ppm2      5.269 CV     1
 ASSI { 2690}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HB  ))
      2.400     0.700     0.700 peak  2690 spectrum    1 weight  0.10000E+01 volume  0.76512E-02 ppm1      4.509 ppm2      4.379 CV     1
 ASSI { 2692}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 69   and name HB1 ))
      4.500     2.500     1.500 peak  2692 spectrum    1 weight  0.10000E+01 volume  0.13635E-02 ppm1      4.436 ppm2      3.022 CV     1
 ASSI { 2697}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 73   and name HB2 ))
      3.200     1.300     1.300 peak  2697 spectrum    1 weight  0.10000E+01 volume  0.10253E-02 ppm1      4.438 ppm2      2.272 CV     1
 ASSI { 2701}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 77   and name HG  ))
      5.600     4.000     0.400 peak  2701 spectrum    1 weight  0.10000E+01 volume  0.20603E-03 ppm1      4.438 ppm2      1.821 CV     1
 ASSI { 2703}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 67   and name HB1 ))
      3.900     1.900     1.900 peak  2703 spectrum    1 weight  0.10000E+01 volume  0.33946E-03 ppm1      4.440 ppm2      2.074 CV     1
 ASSI { 2705}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      2.100     0.600     0.600 peak  2705 spectrum    1 weight  0.10000E+01 volume  0.11085E-01 ppm1      4.528 ppm2      8.835 CV     1
 ASSI { 2707}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
      1.900     0.500     0.500 peak  2707 spectrum    1 weight  0.10000E+01 volume  0.18892E-01 ppm1      4.385 ppm2      8.146 CV     1
 ASSI { 2709}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      2.800     1.000     1.000 peak  2709 spectrum    1 weight  0.10000E+01 volume  0.17958E-02 ppm1      4.375 ppm2      8.482 CV     1
 ASSI { 2711}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 53   and name HN  ))
      5.400     3.700     0.600 peak  2711 spectrum    1 weight  0.10000E+01 volume  0.22730E-03 ppm1      4.106 ppm2      8.986 CV     1
 OR { 2711}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 53   and name HN  ))
 ASSI { 2712}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      2.200     0.600     0.600 peak  2712 spectrum    1 weight  0.10000E+01 volume  0.11689E-01 ppm1      4.326 ppm2      8.605 CV     1
 ASSI { 2716}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 35   and name HD% )
      2.200     0.600     0.600 peak  2716 spectrum    1 weight  0.10000E+01 volume  0.54174E-02 ppm1      4.373 ppm2      7.107 CV     1
 ASSI { 2717}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 40   and name HD% )
      4.300     2.300     1.700 peak  2717 spectrum    1 weight  0.10000E+01 volume  0.86601E-03 ppm1      4.378 ppm2      6.956 CV     1
 ASSI { 2721}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HA  ))
      2.100     0.600     0.600 peak  2721 spectrum    1 weight  0.10000E+01 volume  0.16193E-01 ppm1      4.103 ppm2      4.381 CV     1
 OR { 2721}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 54   and name HA  ))
 ASSI { 2723}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HB1 ))
      2.400     0.700     0.700 peak  2723 spectrum    1 weight  0.10000E+01 volume  0.29514E-02 ppm1      4.377 ppm2      3.587 CV     1
 ASSI { 2724}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HB2 ))
      3.000     1.100     1.100 peak  2724 spectrum    1 weight  0.10000E+01 volume  0.22510E-02 ppm1      4.372 ppm2      3.079 CV     1
 ASSI { 2725}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 25   and name HB1 ))
      4.700     2.800     1.300 peak  2725 spectrum    1 weight  0.10000E+01 volume  0.71849E-03 ppm1      4.326 ppm2      2.882 CV     1
 ASSI { 2726}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 40   and name HB2 ))
      3.500     1.500     1.500 peak  2726 spectrum    1 weight  0.10000E+01 volume  0.53595E-03 ppm1      4.379 ppm2      2.776 CV     1
 ASSI { 2727}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 25   and name HB2 ))
      4.800     2.900     1.200 peak  2727 spectrum    1 weight  0.10000E+01 volume  0.56072E-03 ppm1      4.328 ppm2      2.767 CV     1
 ASSI { 2729}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 53   and name HB2 ))
      4.500     2.500     1.500 peak  2729 spectrum    1 weight  0.10000E+01 volume  0.40009E-03 ppm1      4.112 ppm2      2.347 CV     1
 OR { 2729}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 53   and name HB2 ))
 ASSI { 2731}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 55   and name HB1 ))
      4.800     2.900     1.200 peak  2731 spectrum    1 weight  0.10000E+01 volume  0.45918E-03 ppm1      4.117 ppm2      1.885 CV     1
 OR { 2731}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 55   and name HB1 ))
 ASSI { 2732}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 38   and name HG12))
      2.300     0.600     0.600 peak  2732 spectrum    1 weight  0.10000E+01 volume  0.27561E-02 ppm1      4.379 ppm2      1.544 CV     1
 ASSI { 2740}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 27   and name HN  ))
      2.900     1.000     1.000 peak  2740 spectrum    1 weight  0.10000E+01 volume  0.27997E-02 ppm1      4.032 ppm2      8.229 CV     1
 ASSI { 2743}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 59   and name HN  ))
      2.800     1.000     1.000 peak  2743 spectrum    1 weight  0.10000E+01 volume  0.36783E-02 ppm1      3.795 ppm2      8.484 CV     1
 ASSI { 2744}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HN  ))
      2.700     2.700     3.300 peak  2744 spectrum    1 weight  0.10000E+01 volume  0.38480E-02 ppm1      3.749 ppm2      8.483 CV     1
 ASSI { 2745}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 60   and name HN  ))
      3.900     1.900     1.900 peak  2745 spectrum    1 weight  0.10000E+01 volume  0.11460E-02 ppm1      3.795 ppm2      8.114 CV     1
 ASSI { 2746}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 60   and name HN  ))
      3.900     1.900     1.900 peak  2746 spectrum    1 weight  0.10000E+01 volume  0.11709E-02 ppm1      3.751 ppm2      8.120 CV     1
 ASSI { 2749}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 28   and name HN  ))
      3.400     1.400     1.400 peak  2749 spectrum    1 weight  0.10000E+01 volume  0.14415E-02 ppm1      3.972 ppm2      8.555 CV     1
 ASSI { 2752}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 40   and name HE% )
      4.600     2.600     1.400 peak  2752 spectrum    1 weight  0.10000E+01 volume  0.40562E-03 ppm1      4.053 ppm2      6.762 CV     1
 ASSI { 2757}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HA  ))
      2.300     0.700     0.700 peak  2757 spectrum    1 weight  0.10000E+01 volume  0.89923E-02 ppm1      3.973 ppm2      4.301 CV     1
 ASSI { 2760}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 59   and name HA  ))
      2.600     0.900     0.900 peak  2760 spectrum    1 weight  0.10000E+01 volume  0.37775E-02 ppm1      3.795 ppm2      4.841 CV     1
 ASSI { 2761}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HA  ))
      2.700     0.900     0.900 peak  2761 spectrum    1 weight  0.10000E+01 volume  0.40840E-02 ppm1      3.750 ppm2      4.841 CV     1
 ASSI { 2764}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 47   and name HB1 ))
      4.300     2.400     1.700 peak  2764 spectrum    1 weight  0.10000E+01 volume  0.44616E-03 ppm1      4.051 ppm2      2.348 CV     1
 ASSI { 2765}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 47   and name HB1 ))
      3.800     1.800     1.800 peak  2765 spectrum    1 weight  0.10000E+01 volume  0.26913E-03 ppm1      4.140 ppm2      2.332 CV     1
 ASSI { 2768}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 47   and name HG1 ))
      4.500     2.500     1.500 peak  2768 spectrum    1 weight  0.10000E+01 volume  0.22877E-03 ppm1      4.143 ppm2      2.604 CV     1
 ASSI { 2769}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 47   and name HG1 ))
      4.600     2.700     1.400 peak  2769 spectrum    1 weight  0.10000E+01 volume  0.31206E-03 ppm1      4.049 ppm2      2.613 CV     1
 ASSI { 2772}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HB2 ))
      3.000     1.100     1.100 peak  2772 spectrum    1 weight  0.10000E+01 volume  0.31726E-02 ppm1      4.527 ppm2      2.074 CV     1
 ASSI { 2774}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HD2 ))
      4.300     2.300     1.700 peak  2774 spectrum    1 weight  0.10000E+01 volume  0.47361E-03 ppm1      4.531 ppm2      3.584 CV     1
 ASSI { 2776}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HG11))
      3.000     1.100     1.100 peak  2776 spectrum    1 weight  0.10000E+01 volume  0.29656E-02 ppm1      3.741 ppm2      1.728 CV     1
 ASSI { 2779}
   (( segid "    " and resid 59   and name HB1 ))
   (  segid "    " and resid 81   and name HB% )
      5.200     3.300     0.800 peak  2779 spectrum    1 weight  0.10000E+01 volume  0.21517E-03 ppm1      3.799 ppm2      1.627 CV     1
 ASSI { 2783}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HG12))
      2.400     0.700     0.700 peak  2783 spectrum    1 weight  0.10000E+01 volume  0.36820E-02 ppm1      3.740 ppm2      1.283 CV     1
 ASSI { 2788}
   (( segid "    " and resid 17   and name HB1 ))
   (  segid "    " and resid 48   and name HG2%)
      4.500     2.500     1.500 peak  2788 spectrum    1 weight  0.10000E+01 volume  0.33515E-03 ppm1      4.137 ppm2      1.124 CV     1
 ASSI { 2789}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 48   and name HG2%)
      3.600     1.600     1.600 peak  2789 spectrum    1 weight  0.10000E+01 volume  0.45260E-03 ppm1      4.047 ppm2      1.122 CV     1
 ASSI { 2792}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 42   and name HN  ))
      2.800     1.000     1.000 peak  2792 spectrum    1 weight  0.10000E+01 volume  0.24995E-02 ppm1      4.186 ppm2      8.926 CV     1
 ASSI { 2794}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 65   and name HN  ))
      3.300     1.400     1.400 peak  2794 spectrum    1 weight  0.10000E+01 volume  0.13804E-02 ppm1      3.812 ppm2      8.211 CV     1
 ASSI { 2795}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
      3.100     1.200     1.200 peak  2795 spectrum    1 weight  0.10000E+01 volume  0.12467E-02 ppm1      4.223 ppm2      7.715 CV     1
 ASSI { 2798}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      2.700     0.900     0.900 peak  2798 spectrum    1 weight  0.10000E+01 volume  0.36714E-02 ppm1      3.813 ppm2      7.395 CV     1
 ASSI { 2799}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
      3.700     1.700     1.700 peak  2799 spectrum    1 weight  0.10000E+01 volume  0.66506E-03 ppm1      4.224 ppm2      8.725 CV     1
 ASSI { 2800}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 72   and name HN  ))
      3.500     1.500     1.500 peak  2800 spectrum    1 weight  0.10000E+01 volume  0.75293E-03 ppm1      4.226 ppm2      8.991 CV     1
 ASSI { 2801}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 43   and name HN  ))
      4.300     2.300     1.700 peak  2801 spectrum    1 weight  0.10000E+01 volume  0.41274E-03 ppm1      4.182 ppm2      7.775 CV     1
 ASSI { 2802}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 43   and name HN  ))
      3.800     1.900     1.900 peak  2802 spectrum    1 weight  0.10000E+01 volume  0.48444E-03 ppm1      4.343 ppm2      7.773 CV     1
 ASSI { 2803}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 73   and name HN  ))
      3.700     1.700     1.700 peak  2803 spectrum    1 weight  0.10000E+01 volume  0.58487E-03 ppm1      4.217 ppm2      7.820 CV     1
 ASSI { 2804}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 35   and name HZ  ))
      2.200     0.600     0.600 peak  2804 spectrum    1 weight  0.10000E+01 volume  0.63055E-02 ppm1      4.226 ppm2      6.888 CV     1
 ASSI { 2807}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 42   and name H28A))
      3.600     1.700     1.700 peak  2807 spectrum    1 weight  0.10000E+01 volume  0.74902E-03 ppm1      4.189 ppm2      3.489 CV     1
 ASSI { 2808}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 42   and name H28A))
      4.100     2.100     1.900 peak  2808 spectrum    1 weight  0.10000E+01 volume  0.53948E-03 ppm1      4.344 ppm2      3.483 CV     1
 ASSI { 2810}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 67   and name HD2 ))
      3.700     1.700     1.700 peak  2810 spectrum    1 weight  0.10000E+01 volume  0.78391E-03 ppm1      3.809 ppm2      3.269 CV     1
 OR { 2810}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 67   and name HD1 ))
 ASSI { 2811}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HD2 ))
      3.800     1.800     1.800 peak  2811 spectrum    1 weight  0.10000E+01 volume  0.78179E-03 ppm1      4.224 ppm2      2.800 CV     1
 ASSI { 2813}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HB1 ))
      2.200     0.600     0.600 peak  2813 spectrum    1 weight  0.10000E+01 volume  0.49399E-02 ppm1      4.226 ppm2      2.243 CV     1
 ASSI { 2814}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 74   and name HB2 ))
      2.600     0.900     0.900 peak  2814 spectrum    1 weight  0.10000E+01 volume  0.28847E-02 ppm1      4.226 ppm2      1.695 CV     1
 ASSI { 2815}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HB2 ))
      3.000     1.100     1.100 peak  2815 spectrum    1 weight  0.10000E+01 volume  0.27525E-02 ppm1      4.225 ppm2      2.004 CV     1
 ASSI { 2816}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HB  ))
      2.600     0.800     0.800 peak  2816 spectrum    1 weight  0.10000E+01 volume  0.51133E-02 ppm1      3.938 ppm2      2.270 CV     1
 ASSI { 2819}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 67   and name HG2 ))
      3.300     1.400     1.400 peak  2819 spectrum    1 weight  0.10000E+01 volume  0.18049E-02 ppm1      3.812 ppm2      1.752 CV     1
 OR { 2819}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 67   and name HG1 ))
 ASSI { 2820}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 67   and name HB2 ))
      3.200     1.300     1.300 peak  2820 spectrum    1 weight  0.10000E+01 volume  0.12022E-02 ppm1      3.815 ppm2      1.857 CV     1
 ASSI { 2829}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 26   and name HD2%)
      3.600     1.600     1.600 peak  2829 spectrum    1 weight  0.10000E+01 volume  0.85677E-03 ppm1      3.937 ppm2      0.791 CV     1
 ASSI { 2830}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 31   and name HD1%)
      4.500     2.600     1.500 peak  2830 spectrum    1 weight  0.10000E+01 volume  0.69142E-03 ppm1      4.227 ppm2      0.459 CV     1
 ASSI { 2832}
   (( segid "    " and resid 42   and name HB1 ))
   (  segid "    " and resid 65   and name HB% )
      4.600     2.700     1.400 peak  2832 spectrum    1 weight  0.10000E+01 volume  0.40290E-03 ppm1      4.190 ppm2      1.387 CV     1
 ASSI { 2833}
   (( segid "    " and resid 42   and name HB2 ))
   (  segid "    " and resid 65   and name HB% )
      4.600     2.600     1.400 peak  2833 spectrum    1 weight  0.10000E+01 volume  0.36738E-03 ppm1      4.350 ppm2      1.381 CV     1
 ASSI { 2835}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      3.800     1.800     1.800 peak  2835 spectrum    1 weight  0.10000E+01 volume  0.58638E-03 ppm1      3.865 ppm2      8.247 CV     1
 ASSI { 2836}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      3.500     1.500     1.500 peak  2836 spectrum    1 weight  0.10000E+01 volume  0.10789E-02 ppm1      3.863 ppm2      8.070 CV     1
 ASSI { 2837}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      4.600     2.600     1.400 peak  2837 spectrum    1 weight  0.10000E+01 volume  0.29757E-03 ppm1      3.864 ppm2      7.888 CV     1
 ASSI { 2838}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 30   and name HZ  ))
      3.500     1.500     1.500 peak  2838 spectrum    1 weight  0.10000E+01 volume  0.74183E-03 ppm1      3.864 ppm2      7.334 CV     1
 ASSI { 2839}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 30   and name HE% )
      4.300     2.400     1.700 peak  2839 spectrum    1 weight  0.10000E+01 volume  0.37736E-03 ppm1      3.864 ppm2      7.212 CV     1
 ASSI { 2840}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      3.500     1.500     1.500 peak  2840 spectrum    1 weight  0.10000E+01 volume  0.77596E-03 ppm1      3.952 ppm2      8.108 CV     1
 ASSI { 2842}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
      3.000     1.100     1.100 peak  2842 spectrum    1 weight  0.10000E+01 volume  0.16799E-02 ppm1      3.954 ppm2      8.313 CV     1
 ASSI { 2845}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      3.900     1.900     1.900 peak  2845 spectrum    1 weight  0.10000E+01 volume  0.54984E-03 ppm1      3.952 ppm2      8.757 CV     1
 ASSI { 2856}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 51   and name HD2 ))
      4.000     2.000     2.000 peak  2856 spectrum    1 weight  0.10000E+01 volume  0.37299E-03 ppm1      3.960 ppm2      3.293 CV     1
 ASSI { 2858}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 10   and name HB1 ))
      2.600     0.900     0.900 peak  2858 spectrum    1 weight  0.10000E+01 volume  0.24390E-02 ppm1      3.863 ppm2      2.329 CV     1
 ASSI { 2862}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 10   and name HG  ))
      4.700     2.700     1.300 peak  2862 spectrum    1 weight  0.10000E+01 volume  0.42133E-03 ppm1      3.864 ppm2      1.886 CV     1
 ASSI { 2865}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 10   and name HD2%)
      3.700     1.700     1.700 peak  2865 spectrum    1 weight  0.10000E+01 volume  0.12827E-02 ppm1      3.865 ppm2      1.125 CV     1
 ASSI { 2866}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 48   and name HG2%)
      2.500     0.800     0.800 peak  2866 spectrum    1 weight  0.10000E+01 volume  0.50609E-02 ppm1      3.954 ppm2      1.124 CV     1
 ASSI { 2871}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 31   and name HD1%)
      3.300     1.400     1.400 peak  2871 spectrum    1 weight  0.10000E+01 volume  0.13369E-02 ppm1      3.864 ppm2      0.455 CV     1
 ASSI { 2872}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 8    and name HN  ))
      2.800     1.000     1.000 peak  2872 spectrum    1 weight  0.10000E+01 volume  0.27720E-02 ppm1      4.317 ppm2      8.247 CV     1
 ASSI { 2875}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 7    and name HN  ))
      2.700     0.900     0.900 peak  2875 spectrum    1 weight  0.10000E+01 volume  0.28909E-02 ppm1      4.317 ppm2      8.834 CV     1
 ASSI { 2877}
   (( segid "    " and resid 48   and name HB  ))
   (( segid "    " and resid 49   and name HN  ))
      2.500     0.800     0.800 peak  2877 spectrum    1 weight  0.10000E+01 volume  0.27419E-02 ppm1      4.408 ppm2      8.766 CV     1
 ASSI { 2880}
   (( segid "    " and resid 48   and name HB  ))
   (( segid "    " and resid 45   and name HA  ))
      2.700     0.900     0.900 peak  2880 spectrum    1 weight  0.10000E+01 volume  0.19554E-02 ppm1      4.408 ppm2      3.882 CV     1
 ASSI { 2882}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 7    and name HA  ))
      3.900     1.900     1.900 peak  2882 spectrum    1 weight  0.10000E+01 volume  0.41330E-03 ppm1      4.314 ppm2      3.843 CV     1
 ASSI { 2885}
   (( segid "    " and resid 48   and name HB  ))
   (  segid "    " and resid 48   and name HG2%)
      2.400     0.700     0.700 peak  2885 spectrum    1 weight  0.10000E+01 volume  0.45903E-02 ppm1      4.408 ppm2      1.125 CV     1
 ASSI { 2887}
   (( segid "    " and resid 48   and name HB  ))
   (  segid "    " and resid 14   and name HD1%)
      4.200     2.200     1.800 peak  2887 spectrum    1 weight  0.10000E+01 volume  0.40760E-03 ppm1      4.411 ppm2      0.765 CV     1
 ASSI { 2890}
   (( segid "    " and resid 3    and name HB  ))
   (  segid "    " and resid 3    and name HG2%)
      2.400     0.700     0.700 peak  2890 spectrum    1 weight  0.10000E+01 volume  0.76435E-02 ppm1      4.180 ppm2      1.377 CV     1
 ASSI { 2892}
   (( segid "    " and resid 24   and name HB  ))
   (  segid "    " and resid 26   and name HD1%)
      4.100     2.100     1.900 peak  2892 spectrum    1 weight  0.10000E+01 volume  0.42763E-03 ppm1      4.227 ppm2      0.688 CV     1
 ASSI { 2895}
   (( segid "    " and resid 70   and name HB  ))
   (  segid "    " and resid 70   and name HG2%)
      2.300     0.600     0.600 peak  2895 spectrum    1 weight  0.10000E+01 volume  0.71695E-02 ppm1      4.625 ppm2      1.078 CV     1
 ASSI { 2898}
   (( segid "    " and resid 70   and name HB  ))
   (( segid "    " and resid 71   and name HD2 ))
      2.700     0.900     0.900 peak  2898 spectrum    1 weight  0.10000E+01 volume  0.24780E-02 ppm1      4.630 ppm2      2.790 CV     1
 ASSI { 2899}
   (( segid "    " and resid 70   and name HB  ))
   (( segid "    " and resid 71   and name HD1 ))
      3.400     1.500     1.500 peak  2899 spectrum    1 weight  0.10000E+01 volume  0.25459E-02 ppm1      4.624 ppm2      4.041 CV     1
 ASSI { 2900}
   (( segid "    " and resid 70   and name HB  ))
   (( segid "    " and resid 70   and name HA  ))
      2.900     1.000     1.000 peak  2900 spectrum    1 weight  0.10000E+01 volume  0.12900E-02 ppm1      4.621 ppm2      4.955 CV     1
 ASSI { 2901}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 52   and name HB2 ))
      4.600     2.600     1.400 peak  2901 spectrum    1 weight  0.10000E+01 volume  0.37610E-03 ppm1      7.435 ppm2      1.441 CV     1
 OR { 2901}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 52   and name HB2 ))
 ASSI {    3}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HG1 ))
      4.300     2.300     1.700 peak     3 spectrum    1 weight  0.10000E+01 volume  0.13404E-02 ppm1      8.494 ppm2      2.619 CV     1
 ASSI {    4}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 67   and name HN  ))
      2.700     0.900     0.900 peak     4 spectrum    1 weight  0.10000E+01 volume  0.27428E-02 ppm1      8.026 ppm2      7.450 CV     1
 ASSI {    5}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HA1 ))
      2.400     0.700     0.700 peak     5 spectrum    1 weight  0.10000E+01 volume  0.48265E-02 ppm1      8.027 ppm2      4.109 CV     1
 ASSI {    7}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HA2 ))
      2.700     0.900     0.900 peak     7 spectrum    1 weight  0.10000E+01 volume  0.65140E-02 ppm1      8.026 ppm2      3.873 CV     1
 ASSI {   11}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      2.900     1.100     1.100 peak    11 spectrum    1 weight  0.10000E+01 volume  0.22823E-02 ppm1      8.244 ppm2      4.619 CV     1
 ASSI {   12}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HG1 ))
      2.900     1.000     1.000 peak    12 spectrum    1 weight  0.10000E+01 volume  0.25304E-02 ppm1      8.238 ppm2      2.844 CV     1
 ASSI {   20}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      2.600     0.800     0.800 peak    20 spectrum    1 weight  0.10000E+01 volume  0.30787E-02 ppm1      8.214 ppm2      2.142 CV     1
 ASSI {   22}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 72   and name HB1 ))
      3.700     1.700     1.700 peak    22 spectrum    1 weight  0.10000E+01 volume  0.70361E-03 ppm1      9.065 ppm2      1.855 CV     1
 ASSI {   24}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 72   and name HG2 ))
      4.000     2.000     2.000 peak    24 spectrum    1 weight  0.10000E+01 volume  0.68039E-03 ppm1      9.060 ppm2      1.512 CV     1
 ASSI {   25}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 31   and name HB2 ))
      4.800     2.900     1.200 peak    25 spectrum    1 weight  0.10000E+01 volume  0.46475E-03 ppm1      9.064 ppm2      1.029 CV     1
 ASSI {   26}
   (( segid "    " and resid 72   and name HE  ))
   (  segid "    " and resid 31   and name HD2%)
      3.500     1.500     1.500 peak    26 spectrum    1 weight  0.10000E+01 volume  0.36016E-03 ppm1      9.063 ppm2      0.779 CV     1
 ASSI {   30}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 72   and name HH21))
      2.800     1.000     1.000 peak    30 spectrum    1 weight  0.10000E+01 volume  0.30548E-02 ppm1      9.063 ppm2      6.892 CV     1
 OR {   30}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 72   and name HH22))
 OR {   30}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 72   and name HH11))
 OR {   30}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 72   and name HH12))
 ASSI {   32}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 8    and name HA  ))
      3.900     1.900     1.900 peak    32 spectrum    1 weight  0.10000E+01 volume  0.48340E-03 ppm1      7.323 ppm2      4.617 CV     1
 ASSI {   34}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 11   and name HD2 ))
      2.800     1.000     1.000 peak    34 spectrum    1 weight  0.10000E+01 volume  0.24037E-02 ppm1      7.323 ppm2      3.197 CV     1
 OR {   34}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 11   and name HD1 ))
 ASSI {   35}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 11   and name HB2 ))
      3.200     1.300     1.300 peak    35 spectrum    1 weight  0.10000E+01 volume  0.94907E-03 ppm1      7.322 ppm2      2.046 CV     1
 OR {   35}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI {   36}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 11   and name HG1 ))
      3.500     1.500     1.500 peak    36 spectrum    1 weight  0.10000E+01 volume  0.77551E-03 ppm1      7.321 ppm2      1.396 CV     1
 ASSI {   37}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 11   and name HG2 ))
      3.600     1.600     1.600 peak    37 spectrum    1 weight  0.10000E+01 volume  0.75248E-03 ppm1      7.323 ppm2      1.160 CV     1
 ASSI {   39}
   (( segid "    " and resid 72   and name HH11))
   (( segid "    " and resid 72   and name HG2 ))
      4.500     2.500     1.500 peak    39 spectrum    1 weight  0.10000E+01 volume  0.65678E-03 ppm1      6.888 ppm2      1.517 CV     1
 ASSI {   41}
   (( segid "    " and resid 72   and name HH11))
   (( segid "    " and resid 72   and name HD1 ))
      3.200     1.300     1.300 peak    41 spectrum    1 weight  0.10000E+01 volume  0.16658E-02 ppm1      6.889 ppm2      3.491 CV     1
 OR {   41}
   (( segid "    " and resid 72   and name HH12))
   (( segid "    " and resid 72   and name HD1 ))
 OR {   41}
   (( segid "    " and resid 72   and name HH22))
   (( segid "    " and resid 72   and name HD1 ))
 ASSI {   43}
   (( segid "    " and resid 34   and name HE  ))
   (( segid "    " and resid 34   and name HB1 ))
      4.100     2.100     1.900 peak    43 spectrum    1 weight  0.10000E+01 volume  0.44441E-03 ppm1      7.989 ppm2      2.170 CV     1
 ASSI {   46}
   (( segid "    " and resid 34   and name HE  ))
   (( segid "    " and resid 36   and name HG2 ))
      4.300     2.300     1.700 peak    46 spectrum    1 weight  0.10000E+01 volume  0.10551E-03 ppm1      7.987 ppm2      2.495 CV     1
 OR {   46}
   (( segid "    " and resid 34   and name HE  ))
   (( segid "    " and resid 36   and name HG1 ))
 ASSI {   47}
   (( segid "    " and resid 34   and name HE  ))
   (( segid "    " and resid 34   and name HG1 ))
      4.000     2.000     2.000 peak    47 spectrum    1 weight  0.10000E+01 volume  0.30856E-03 ppm1      7.992 ppm2      1.943 CV     1
 ASSI {   49}
   (( segid "    " and resid 34   and name HE  ))
   (( segid "    " and resid 34   and name HD2 ))
      3.200     1.300     1.300 peak    49 spectrum    1 weight  0.10000E+01 volume  0.10909E-02 ppm1      7.990 ppm2      3.345 CV     1
 ASSI {   50}
   (( segid "    " and resid 12   and name HE  ))
   (( segid "    " and resid 12   and name HD1 ))
      3.300     1.400     1.400 peak    50 spectrum    1 weight  0.10000E+01 volume  0.99307E-03 ppm1      7.514 ppm2      3.359 CV     1
 ASSI {   52}
   (( segid "    " and resid 51   and name HE  ))
   (( segid "    " and resid 51   and name HD2 ))
      3.300     1.400     1.400 peak    52 spectrum    1 weight  0.10000E+01 volume  0.93714E-03 ppm1      7.550 ppm2      3.296 CV     1
 ASSI {   53}
   (( segid "    " and resid 12   and name HE  ))
   (( segid "    " and resid 12   and name HB1 ))
      4.500     2.600     1.500 peak    53 spectrum    1 weight  0.10000E+01 volume  0.62001E-03 ppm1      7.515 ppm2      2.023 CV     1
 OR {   53}
   (( segid "    " and resid 12   and name HE  ))
   (( segid "    " and resid 12   and name HB2 ))
 ASSI {   54}
   (( segid "    " and resid 12   and name HE  ))
   (( segid "    " and resid 12   and name HG1 ))
      3.700     1.700     1.700 peak    54 spectrum    1 weight  0.10000E+01 volume  0.41812E-03 ppm1      7.518 ppm2      1.920 CV     1
 ASSI {   55}
   (( segid "    " and resid 12   and name HE  ))
   (( segid "    " and resid 12   and name HG2 ))
      3.800     1.800     1.800 peak    55 spectrum    1 weight  0.10000E+01 volume  0.44413E-03 ppm1      7.515 ppm2      1.690 CV     1
 ASSI {   57}
   (( segid "    " and resid 51   and name HE  ))
   (( segid "    " and resid 51   and name HG2 ))
      4.300     2.300     1.700 peak    57 spectrum    1 weight  0.10000E+01 volume  0.34375E-03 ppm1      7.546 ppm2      1.741 CV     1
 ASSI {   58}
   (( segid "    " and resid 51   and name HE  ))
   (( segid "    " and resid 51   and name HB1 ))
      4.400     2.400     1.600 peak    58 spectrum    1 weight  0.10000E+01 volume  0.30333E-03 ppm1      7.546 ppm2      2.196 CV     1
 ASSI {   59}
   (( segid "    " and resid 67   and name HE  ))
   (( segid "    " and resid 67   and name HB1 ))
      4.900     3.000     1.100 peak    59 spectrum    1 weight  0.10000E+01 volume  0.43282E-03 ppm1      7.387 ppm2      2.081 CV     1
 ASSI {   60}
   (( segid "    " and resid 67   and name HE  ))
   (( segid "    " and resid 67   and name HB2 ))
      5.200     3.300     0.800 peak    60 spectrum    1 weight  0.10000E+01 volume  0.26417E-03 ppm1      7.389 ppm2      1.858 CV     1
 ASSI {   61}
   (( segid "    " and resid 67   and name HE  ))
   (( segid "    " and resid 67   and name HG1 ))
      3.400     1.400     1.400 peak    61 spectrum    1 weight  0.10000E+01 volume  0.82361E-03 ppm1      7.389 ppm2      1.755 CV     1
 OR {   61}
   (( segid "    " and resid 67   and name HE  ))
   (( segid "    " and resid 67   and name HG2 ))
 ASSI {   64}
   (( segid "    " and resid 55   and name HE  ))
   (( segid "    " and resid 55   and name HD1 ))
      3.700     1.700     1.700 peak    64 spectrum    1 weight  0.10000E+01 volume  0.57829E-03 ppm1      7.183 ppm2      3.097 CV     1
 ASSI {   65}
   (( segid "    " and resid 55   and name HE  ))
   (( segid "    " and resid 55   and name HD2 ))
      4.000     2.000     2.000 peak    65 spectrum    1 weight  0.10000E+01 volume  0.30438E-03 ppm1      7.185 ppm2      3.014 CV     1
 ASSI {   66}
   (( segid "    " and resid 55   and name HE  ))
   (( segid "    " and resid 55   and name HG1 ))
      3.600     1.600     1.600 peak    66 spectrum    1 weight  0.10000E+01 volume  0.43216E-03 ppm1      7.182 ppm2      1.363 CV     1
 ASSI {   67}
   (( segid "    " and resid 55   and name HE  ))
   (( segid "    " and resid 55   and name HG2 ))
      4.200     2.200     1.800 peak    67 spectrum    1 weight  0.10000E+01 volume  0.36849E-03 ppm1      7.185 ppm2      0.985 CV     1
 ASSI {   68}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 15   and name HG1%)
      4.600     2.700     1.400 peak    68 spectrum    1 weight  0.10000E+01 volume  0.25669E-03 ppm1      8.243 ppm2      1.036 CV     1
 ASSI {   70}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 20   and name HB1 ))
      5.600     4.000     0.400 peak    70 spectrum    1 weight  0.10000E+01 volume  0.14190E-03 ppm1      8.243 ppm2      2.249 CV     1
 ASSI {   72}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 23   and name HA1 ))
      2.400     0.700     0.700 peak    72 spectrum    1 weight  0.10000E+01 volume  0.10287E-01 ppm1      8.246 ppm2      4.057 CV     1
 OR {   72}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 23   and name HA2 ))
 ASSI {   73}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      4.200     2.200     1.800 peak    73 spectrum    1 weight  0.10000E+01 volume  0.89641E-03 ppm1      8.247 ppm2      3.949 CV     1
 ASSI {   76}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      2.900     1.000     1.000 peak    76 spectrum    1 weight  0.10000E+01 volume  0.33917E-02 ppm1      8.247 ppm2      7.840 CV     1
 ASSI {   78}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      2.700     0.900     0.900 peak    78 spectrum    1 weight  0.10000E+01 volume  0.49242E-02 ppm1      7.713 ppm2      8.060 CV     1
 ASSI {   79}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      3.600     1.600     1.600 peak    79 spectrum    1 weight  0.10000E+01 volume  0.10991E-02 ppm1      7.713 ppm2      7.545 CV     1
 ASSI {   81}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HA2 ))
      2.300     0.700     0.700 peak    81 spectrum    1 weight  0.10000E+01 volume  0.64344E-02 ppm1      7.713 ppm2      3.878 CV     1
 ASSI {   84}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      3.000     1.100     1.100 peak    84 spectrum    1 weight  0.10000E+01 volume  0.18081E-02 ppm1      7.713 ppm2      4.670 CV     1
 ASSI {   86}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HB  ))
      4.300     2.300     1.700 peak    86 spectrum    1 weight  0.10000E+01 volume  0.52733E-03 ppm1      7.713 ppm2      2.459 CV     1
 ASSI {   87}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HG11))
      3.800     1.800     1.800 peak    87 spectrum    1 weight  0.10000E+01 volume  0.73715E-03 ppm1      7.711 ppm2      1.830 CV     1
 ASSI {   88}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HG12))
      4.200     2.200     1.800 peak    88 spectrum    1 weight  0.10000E+01 volume  0.70502E-03 ppm1      7.713 ppm2      1.534 CV     1
 ASSI {   89}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
      3.100     1.200     1.200 peak    89 spectrum    1 weight  0.10000E+01 volume  0.74805E-03 ppm1      7.714 ppm2      1.057 CV     1
 ASSI {   90}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      3.900     1.900     1.900 peak    90 spectrum    1 weight  0.10000E+01 volume  0.45868E-03 ppm1      7.712 ppm2      4.815 CV     1
 ASSI {   91}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 40   and name HD% )
      4.200     2.200     1.800 peak    91 spectrum    1 weight  0.10000E+01 volume  0.67327E-03 ppm1      7.713 ppm2      6.969 CV     1
 ASSI {   96}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 79   and name HN  ))
      4.800     2.800     1.200 peak    96 spectrum    1 weight  0.10000E+01 volume  0.60542E-03 ppm1      7.674 ppm2      8.879 CV     1
 ASSI {   97}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 5    and name HN  ))
      3.100     1.200     1.200 peak    97 spectrum    1 weight  0.10000E+01 volume  0.19019E-02 ppm1      7.325 ppm2      9.429 CV     1
 ASSI {   99}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 79   and name HA  ))
      3.600     1.600     1.600 peak    99 spectrum    1 weight  0.10000E+01 volume  0.23914E-03 ppm1      7.324 ppm2      4.900 CV     1
 ASSI {  100}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 76   and name HA  ))
      4.700     2.800     1.300 peak   100 spectrum    1 weight  0.10000E+01 volume  0.33474E-03 ppm1      7.322 ppm2      4.491 CV     1
 ASSI {  101}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 4    and name HA  ))
      4.400     2.500     1.600 peak   101 spectrum    1 weight  0.10000E+01 volume  0.44965E-03 ppm1      7.324 ppm2      4.362 CV     1
 ASSI {  102}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 79   and name HA  ))
      5.000     3.100     1.000 peak   102 spectrum    1 weight  0.10000E+01 volume  0.27512E-03 ppm1      7.676 ppm2      4.900 CV     1
 ASSI {  104}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 4    and name HA  ))
      4.900     3.000     1.100 peak   104 spectrum    1 weight  0.10000E+01 volume  0.23173E-03 ppm1      7.675 ppm2      4.362 CV     1
 ASSI {  105}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 79   and name HB2 ))
      3.300     1.400     1.400 peak   105 spectrum    1 weight  0.10000E+01 volume  0.21373E-02 ppm1      7.672 ppm2      2.764 CV     1
 ASSI {  106}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 79   and name HB1 ))
      3.400     1.500     1.500 peak   106 spectrum    1 weight  0.10000E+01 volume  0.24674E-02 ppm1      7.672 ppm2      3.090 CV     1
 ASSI {  107}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 79   and name HB1 ))
      3.600     1.600     1.600 peak   107 spectrum    1 weight  0.10000E+01 volume  0.12641E-02 ppm1      7.325 ppm2      3.089 CV     1
 ASSI {  108}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 79   and name HB2 ))
      3.100     1.200     1.200 peak   108 spectrum    1 weight  0.10000E+01 volume  0.11990E-02 ppm1      7.325 ppm2      2.767 CV     1
 ASSI {  111}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 4    and name HB2 ))
      4.400     2.400     1.600 peak   111 spectrum    1 weight  0.10000E+01 volume  0.46040E-03 ppm1      7.671 ppm2      1.471 CV     1
 ASSI {  112}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 5    and name HB2 ))
      3.500     1.500     1.500 peak   112 spectrum    1 weight  0.10000E+01 volume  0.47976E-03 ppm1      7.674 ppm2      1.364 CV     1
 ASSI {  115}
   (( segid "    " and resid 79   and name HD22))
   (  segid "    " and resid 5    and name HD1%)
      5.100     3.300     0.900 peak   115 spectrum    1 weight  0.10000E+01 volume  0.22132E-03 ppm1      7.676 ppm2      0.618 CV     1
 ASSI {  118}
   (( segid "    " and resid 79   and name HD21))
   (  segid "    " and resid 75   and name HD1%)
      3.100     1.200     1.200 peak   118 spectrum    1 weight  0.10000E+01 volume  0.24719E-02 ppm1      7.325 ppm2      0.791 CV     1
 ASSI {  119}
   (( segid "    " and resid 79   and name HD21))
   (  segid "    " and resid 5    and name HD1%)
      5.100     3.200     0.900 peak   119 spectrum    1 weight  0.10000E+01 volume  0.19541E-03 ppm1      7.322 ppm2      0.625 CV     1
 OR {  119}
   (( segid "    " and resid 79   and name HD21))
   (  segid "    " and resid 5    and name HD2%)
 ASSI {  122}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 4    and name HB2 ))
      4.600     2.700     1.400 peak   122 spectrum    1 weight  0.10000E+01 volume  0.92822E-03 ppm1      7.324 ppm2      1.474 CV     1
 ASSI {  123}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 5    and name HB2 ))
      3.800     1.800     1.800 peak   123 spectrum    1 weight  0.10000E+01 volume  0.82143E-03 ppm1      7.322 ppm2      1.362 CV     1
 ASSI {  126}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 68   and name HG2%)
      4.000     2.000     2.000 peak   126 spectrum    1 weight  0.10000E+01 volume  0.77563E-03 ppm1      7.471 ppm2      1.223 CV     1
 ASSI {  128}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HB1 ))
      3.800     1.800     1.800 peak   128 spectrum    1 weight  0.10000E+01 volume  0.14177E-02 ppm1      7.473 ppm2      3.018 CV     1
 ASSI {  130}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 73   and name HG1 ))
      3.700     1.700     1.700 peak   130 spectrum    1 weight  0.10000E+01 volume  0.66012E-03 ppm1      7.472 ppm2      2.646 CV     1
 ASSI {  131}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 73   and name HB1 ))
      3.400     1.500     1.500 peak   131 spectrum    1 weight  0.10000E+01 volume  0.32641E-02 ppm1      7.472 ppm2      2.467 CV     1
 ASSI {  132}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 73   and name HB2 ))
      2.800     1.000     1.000 peak   132 spectrum    1 weight  0.10000E+01 volume  0.18511E-02 ppm1      7.473 ppm2      2.270 CV     1
 ASSI {  133}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      3.300     1.400     1.400 peak   133 spectrum    1 weight  0.10000E+01 volume  0.13955E-02 ppm1      7.473 ppm2      4.438 CV     1
 ASSI {  136}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      3.200     1.300     1.300 peak   136 spectrum    1 weight  0.10000E+01 volume  0.87261E-03 ppm1      7.472 ppm2      4.965 CV     1
 ASSI {  138}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HN  ))
      2.400     0.700     0.700 peak   138 spectrum    1 weight  0.10000E+01 volume  0.63836E-02 ppm1      7.472 ppm2      9.074 CV     1
 ASSI {  139}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      2.900     1.000     1.000 peak   139 spectrum    1 weight  0.10000E+01 volume  0.31568E-02 ppm1      8.493 ppm2      8.135 CV     1
 ASSI {  140}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HA1 ))
      2.200     0.600     0.600 peak   140 spectrum    1 weight  0.10000E+01 volume  0.11831E-01 ppm1      8.493 ppm2      4.072 CV     1
 OR {  140}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HA2 ))
 ASSI {  141}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      2.700     0.900     0.900 peak   141 spectrum    1 weight  0.10000E+01 volume  0.44247E-02 ppm1      8.492 ppm2      4.721 CV     1
 ASSI {  142}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
      3.200     1.300     1.300 peak   142 spectrum    1 weight  0.10000E+01 volume  0.16937E-02 ppm1      8.493 ppm2      2.837 CV     1
 OR {  142}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
 ASSI {  143}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 18   and name HB% )
      5.100     3.200     0.900 peak   143 spectrum    1 weight  0.10000E+01 volume  0.21405E-03 ppm1      8.490 ppm2      1.541 CV     1
 ASSI {  144}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 21   and name HG2%)
      4.000     2.000     2.000 peak   144 spectrum    1 weight  0.10000E+01 volume  0.53094E-03 ppm1      8.491 ppm2      1.249 CV     1
 ASSI {  145}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 78   and name HB  ))
      4.400     2.400     1.600 peak   145 spectrum    1 weight  0.10000E+01 volume  0.42250E-03 ppm1      8.418 ppm2      1.930 CV     1
 ASSI {  149}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      3.800     1.800     1.800 peak   149 spectrum    1 weight  0.10000E+01 volume  0.61434E-03 ppm1      8.416 ppm2      3.739 CV     1
 ASSI {  150}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HB1 ))
      3.500     1.600     1.600 peak   150 spectrum    1 weight  0.10000E+01 volume  0.13163E-02 ppm1      8.418 ppm2      3.091 CV     1
 ASSI {  151}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
      3.000     1.100     1.100 peak   151 spectrum    1 weight  0.10000E+01 volume  0.13310E-02 ppm1      8.418 ppm2      2.764 CV     1
 ASSI {  153}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      3.400     1.400     1.400 peak   153 spectrum    1 weight  0.10000E+01 volume  0.96767E-03 ppm1      8.418 ppm2      4.906 CV     1
 ASSI {  156}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 81   and name HN  ))
      2.500     0.800     0.800 peak   156 spectrum    1 weight  0.10000E+01 volume  0.44399E-02 ppm1      8.418 ppm2      7.580 CV     1
 ASSI {  157}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      2.500     0.800     0.800 peak   157 spectrum    1 weight  0.10000E+01 volume  0.34347E-02 ppm1      8.419 ppm2      8.880 CV     1
 ASSI {  159}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
      3.800     1.800     1.800 peak   159 spectrum    1 weight  0.10000E+01 volume  0.54006E-03 ppm1      7.968 ppm2      0.933 CV     1
 ASSI {  160}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HB2 ))
      3.500     1.500     1.500 peak   160 spectrum    1 weight  0.10000E+01 volume  0.70989E-03 ppm1      7.968 ppm2      2.776 CV     1
 ASSI {  163}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      3.600     1.600     1.600 peak   163 spectrum    1 weight  0.10000E+01 volume  0.65396E-03 ppm1      7.971 ppm2      4.392 CV     1
 ASSI {  164}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 58   and name HN  ))
      2.900     1.100     1.100 peak   164 spectrum    1 weight  0.10000E+01 volume  0.28369E-02 ppm1      7.967 ppm2      7.524 CV     1
 ASSI {  167}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      4.000     2.000     2.000 peak   167 spectrum    1 weight  0.10000E+01 volume  0.13291E-02 ppm1      8.557 ppm2      8.663 CV     1
 ASSI {  169}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
      3.900     1.900     1.900 peak   169 spectrum    1 weight  0.10000E+01 volume  0.15526E-02 ppm1      8.557 ppm2      4.032 CV     1
 ASSI {  171}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HA2 ))
      2.500     0.800     0.800 peak   171 spectrum    1 weight  0.10000E+01 volume  0.45987E-02 ppm1      8.557 ppm2      3.870 CV     1
 ASSI {  172}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      2.300     0.700     0.700 peak   172 spectrum    1 weight  0.10000E+01 volume  0.67481E-02 ppm1      8.557 ppm2      4.285 CV     1
 ASSI {  173}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      3.300     1.400     1.400 peak   173 spectrum    1 weight  0.10000E+01 volume  0.76781E-03 ppm1      8.047 ppm2      1.032 CV     1
 ASSI {  174}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 33   and name HG  ))
      4.400     2.400     1.600 peak   174 spectrum    1 weight  0.10000E+01 volume  0.12240E-02 ppm1      8.045 ppm2      1.776 CV     1
 OR {  174}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 33   and name HB1 ))
 ASSI {  176}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 31   and name HD2%)
      4.900     3.000     1.100 peak   176 spectrum    1 weight  0.10000E+01 volume  0.39094E-03 ppm1      8.046 ppm2      0.777 CV     1
 ASSI {  177}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 31   and name HD1%)
      4.700     2.800     1.300 peak   177 spectrum    1 weight  0.10000E+01 volume  0.44369E-03 ppm1      8.045 ppm2      0.458 CV     1
 ASSI {  178}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HG  ))
      4.600     2.700     1.400 peak   178 spectrum    1 weight  0.10000E+01 volume  0.59056E-03 ppm1      8.043 ppm2      1.199 CV     1
 ASSI {  181}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
      3.000     1.200     1.200 peak   181 spectrum    1 weight  0.10000E+01 volume  0.21596E-02 ppm1      8.045 ppm2      3.028 CV     1
 ASSI {  182}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      3.100     1.200     1.200 peak   182 spectrum    1 weight  0.10000E+01 volume  0.18656E-02 ppm1      8.047 ppm2      5.046 CV     1
 ASSI {  184}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      2.700     0.900     0.900 peak   184 spectrum    1 weight  0.10000E+01 volume  0.23738E-02 ppm1      8.044 ppm2      7.507 CV     1
 ASSI {  189}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HA1 ))
      2.600     0.800     0.800 peak   189 spectrum    1 weight  0.10000E+01 volume  0.47690E-02 ppm1      7.527 ppm2      4.087 CV     1
 OR {  189}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HA2 ))
 ASSI {  191}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
      3.800     1.800     1.800 peak   191 spectrum    1 weight  0.10000E+01 volume  0.34844E-03 ppm1      7.531 ppm2      2.512 CV     1
 ASSI {  192}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 53   and name HG2 ))
      4.700     2.800     1.300 peak   192 spectrum    1 weight  0.10000E+01 volume  0.38537E-03 ppm1      7.531 ppm2      2.327 CV     1
 ASSI {  195}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      4.600     2.700     1.400 peak   195 spectrum    1 weight  0.10000E+01 volume  0.37529E-03 ppm1      7.524 ppm2      8.484 CV     1
 ASSI {  196}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 55   and name HB1 ))
      5.000     3.100     1.000 peak   196 spectrum    1 weight  0.10000E+01 volume  0.48034E-03 ppm1      8.035 ppm2      1.891 CV     1
 ASSI {  197}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
      4.100     2.100     1.900 peak   197 spectrum    1 weight  0.10000E+01 volume  0.71631E-03 ppm1      8.035 ppm2      1.639 CV     1
 ASSI {  198}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
      3.300     1.400     1.400 peak   198 spectrum    1 weight  0.10000E+01 volume  0.19863E-02 ppm1      8.034 ppm2      2.514 CV     1
 ASSI {  199}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
      2.700     0.900     0.900 peak   199 spectrum    1 weight  0.10000E+01 volume  0.22762E-02 ppm1      8.035 ppm2      2.342 CV     1
 ASSI {  202}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      2.900     1.100     1.100 peak   202 spectrum    1 weight  0.10000E+01 volume  0.21428E-02 ppm1      8.034 ppm2      4.228 CV     1
 ASSI {  204}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      2.600     0.900     0.900 peak   204 spectrum    1 weight  0.10000E+01 volume  0.44644E-02 ppm1      8.035 ppm2      4.382 CV     1
 ASSI {  205}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      2.700     0.900     0.900 peak   205 spectrum    1 weight  0.10000E+01 volume  0.29828E-02 ppm1      8.034 ppm2      8.986 CV     1
 ASSI {  207}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 38   and name HD1%)
      4.300     2.300     1.700 peak   207 spectrum    1 weight  0.10000E+01 volume  0.14598E-02 ppm1      7.712 ppm2      0.871 CV     1
 ASSI {  208}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
      2.800     1.000     1.000 peak   208 spectrum    1 weight  0.10000E+01 volume  0.28688E-02 ppm1      7.713 ppm2      1.058 CV     1
 ASSI {  209}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HG12))
      2.100     0.500     0.500 peak   209 spectrum    1 weight  0.10000E+01 volume  0.40186E-02 ppm1      7.713 ppm2      1.538 CV     1
 ASSI {  211}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HG11))
      3.100     1.200     1.200 peak   211 spectrum    1 weight  0.10000E+01 volume  0.30917E-02 ppm1      7.713 ppm2      1.827 CV     1
 ASSI {  213}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HB  ))
      3.700     1.700     1.700 peak   213 spectrum    1 weight  0.10000E+01 volume  0.14136E-02 ppm1      7.712 ppm2      2.456 CV     1
 ASSI {  215}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 39   and name HA1 ))
      5.200     3.400     0.800 peak   215 spectrum    1 weight  0.10000E+01 volume  0.35728E-03 ppm1      7.710 ppm2      4.267 CV     1
 ASSI {  216}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 39   and name HA2 ))
      4.600     2.600     1.400 peak   216 spectrum    1 weight  0.10000E+01 volume  0.58181E-03 ppm1      7.713 ppm2      3.885 CV     1
 ASSI {  219}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      3.600     1.600     1.600 peak   219 spectrum    1 weight  0.10000E+01 volume  0.80155E-03 ppm1      7.713 ppm2      4.804 CV     1
 ASSI {  220}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      2.800     1.000     1.000 peak   220 spectrum    1 weight  0.10000E+01 volume  0.23224E-02 ppm1      7.713 ppm2      4.672 CV     1
 ASSI {  221}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 40   and name HD% )
      5.300     3.500     0.700 peak   221 spectrum    1 weight  0.10000E+01 volume  0.58941E-03 ppm1      7.712 ppm2      6.978 CV     1
 ASSI {  222}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      2.300     0.700     0.700 peak   222 spectrum    1 weight  0.10000E+01 volume  0.55103E-02 ppm1      7.713 ppm2      7.558 CV     1
 ASSI {  223}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      4.300     2.300     1.700 peak   223 spectrum    1 weight  0.10000E+01 volume  0.41532E-03 ppm1      7.715 ppm2      9.546 CV     1
 ASSI {  224}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      3.000     1.100     1.100 peak   224 spectrum    1 weight  0.10000E+01 volume  0.16225E-02 ppm1      8.918 ppm2      7.761 CV     1
 ASSI {  225}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      4.600     2.600     1.400 peak   225 spectrum    1 weight  0.10000E+01 volume  0.39893E-03 ppm1      8.918 ppm2      8.165 CV     1
 ASSI {  228}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
      3.100     1.200     1.200 peak   228 spectrum    1 weight  0.10000E+01 volume  0.36740E-02 ppm1      8.916 ppm2      4.351 CV     1
 ASSI {  235}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HG2 ))
      4.200     2.200     1.800 peak   235 spectrum    1 weight  0.10000E+01 volume  0.76210E-03 ppm1      8.246 ppm2      2.408 CV     1
 OR {  235}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HG1 ))
 ASSI {  236}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HB1 ))
      3.600     1.700     1.700 peak   236 spectrum    1 weight  0.10000E+01 volume  0.11070E-02 ppm1      8.246 ppm2      2.235 CV     1
 ASSI {  237}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
      4.400     2.400     1.600 peak   237 spectrum    1 weight  0.10000E+01 volume  0.74536E-03 ppm1      8.247 ppm2      2.069 CV     1
 ASSI {  241}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 23   and name HA1 ))
      4.500     2.600     1.500 peak   241 spectrum    1 weight  0.10000E+01 volume  0.37097E-03 ppm1      8.249 ppm2      4.056 CV     1
 OR {  241}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 23   and name HA2 ))
 ASSI {  243}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      2.200     0.600     0.600 peak   243 spectrum    1 weight  0.10000E+01 volume  0.53480E-02 ppm1      8.127 ppm2      7.964 CV     1
 ASSI {  244}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 58   and name HN  ))
      4.700     2.700     1.300 peak   244 spectrum    1 weight  0.10000E+01 volume  0.71682E-03 ppm1      8.126 ppm2      7.533 CV     1
 ASSI {  245}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 56   and name HD% )
      2.500     0.800     0.800 peak   245 spectrum    1 weight  0.10000E+01 volume  0.32916E-02 ppm1      8.127 ppm2      7.438 CV     1
 ASSI {  247}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      2.900     1.000     1.000 peak   247 spectrum    1 weight  0.10000E+01 volume  0.25715E-02 ppm1      8.126 ppm2      4.678 CV     1
 ASSI {  250}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      3.900     1.900     1.900 peak   250 spectrum    1 weight  0.10000E+01 volume  0.44311E-03 ppm1      8.124 ppm2      4.319 CV     1
 ASSI {  251}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HB2 ))
      2.400     0.700     0.700 peak   251 spectrum    1 weight  0.10000E+01 volume  0.36918E-02 ppm1      8.127 ppm2      2.782 CV     1
 ASSI {  252}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HG1 ))
      4.200     2.200     1.800 peak   252 spectrum    1 weight  0.10000E+01 volume  0.65884E-03 ppm1      8.126 ppm2      1.371 CV     1
 ASSI {  254}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HB1 ))
      2.900     1.100     1.100 peak   254 spectrum    1 weight  0.10000E+01 volume  0.12687E-02 ppm1      8.126 ppm2      1.888 CV     1
 ASSI {  255}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
      3.100     1.200     1.200 peak   255 spectrum    1 weight  0.10000E+01 volume  0.23332E-02 ppm1      8.126 ppm2      1.616 CV     1
 ASSI {  257}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
      4.400     2.400     1.600 peak   257 spectrum    1 weight  0.10000E+01 volume  0.42528E-03 ppm1      7.819 ppm2      1.123 CV     1
 ASSI {  259}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HG1 ))
      4.700     2.700     1.300 peak   259 spectrum    1 weight  0.10000E+01 volume  0.38055E-03 ppm1      7.818 ppm2      2.621 CV     1
 ASSI {  260}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HG2 ))
      4.600     2.700     1.400 peak   260 spectrum    1 weight  0.10000E+01 volume  0.39151E-03 ppm1      7.822 ppm2      2.387 CV     1
 ASSI {  261}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
      3.500     1.500     1.500 peak   261 spectrum    1 weight  0.10000E+01 volume  0.17969E-02 ppm1      7.818 ppm2      2.249 CV     1
 ASSI {  262}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      3.100     1.200     1.200 peak   262 spectrum    1 weight  0.10000E+01 volume  0.12215E-02 ppm1      7.817 ppm2      2.144 CV     1
 ASSI {  264}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      2.800     1.000     1.000 peak   264 spectrum    1 weight  0.10000E+01 volume  0.30932E-02 ppm1      7.819 ppm2      4.564 CV     1
 ASSI {  265}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      3.200     1.300     1.300 peak   265 spectrum    1 weight  0.10000E+01 volume  0.16691E-02 ppm1      7.817 ppm2      4.208 CV     1
 ASSI {  266}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
      3.200     1.200     1.200 peak   266 spectrum    1 weight  0.10000E+01 volume  0.31249E-02 ppm1      7.819 ppm2      4.145 CV     1
 ASSI {  267}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      2.700     0.900     0.900 peak   267 spectrum    1 weight  0.10000E+01 volume  0.20812E-02 ppm1      7.817 ppm2      4.051 CV     1
 ASSI {  269}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      2.600     0.800     0.800 peak   269 spectrum    1 weight  0.10000E+01 volume  0.32747E-02 ppm1      7.817 ppm2      8.215 CV     1
 ASSI {  274}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 5    and name HD2%)
      3.900     1.900     1.900 peak   274 spectrum    1 weight  0.10000E+01 volume  0.17512E-02 ppm1      9.028 ppm2      0.635 CV     1
 ASSI {  278}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
      3.600     1.600     1.600 peak   278 spectrum    1 weight  0.10000E+01 volume  0.25230E-02 ppm1      9.031 ppm2      3.035 CV     1
 ASSI {  280}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HB  ))
      4.200     2.200     1.800 peak   280 spectrum    1 weight  0.10000E+01 volume  0.39823E-03 ppm1      9.032 ppm2      4.846 CV     1
 ASSI {  281}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      3.600     1.600     1.600 peak   281 spectrum    1 weight  0.10000E+01 volume  0.57201E-03 ppm1      9.027 ppm2      4.764 CV     1
 ASSI {  283}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      4.200     2.200     1.800 peak   283 spectrum    1 weight  0.10000E+01 volume  0.31134E-03 ppm1      9.028 ppm2      8.064 CV     1
 ASSI {  284}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HN  ))
      5.000     3.200     1.000 peak   284 spectrum    1 weight  0.10000E+01 volume  0.32556E-03 ppm1      9.026 ppm2      9.424 CV     1
 ASSI {  285}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      3.700     1.700     1.700 peak   285 spectrum    1 weight  0.10000E+01 volume  0.28338E-02 ppm1      8.227 ppm2      8.555 CV     1
 ASSI {  286}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      2.600     0.800     0.800 peak   286 spectrum    1 weight  0.10000E+01 volume  0.44774E-02 ppm1      8.227 ppm2      8.461 CV     1
 ASSI {  288}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      3.900     1.900     1.900 peak   288 spectrum    1 weight  0.10000E+01 volume  0.10334E-02 ppm1      8.227 ppm2      4.709 CV     1
 ASSI {  289}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      2.700     0.900     0.900 peak   289 spectrum    1 weight  0.10000E+01 volume  0.31587E-02 ppm1      8.228 ppm2      4.364 CV     1
 ASSI {  290}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      2.800     1.000     1.000 peak   290 spectrum    1 weight  0.10000E+01 volume  0.26460E-02 ppm1      8.226 ppm2      4.297 CV     1
 ASSI {  291}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      3.200     1.200     1.200 peak   291 spectrum    1 weight  0.10000E+01 volume  0.34001E-02 ppm1      8.227 ppm2      3.979 CV     1
 ASSI {  292}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      5.700     4.000     0.300 peak   292 spectrum    1 weight  0.10000E+01 volume  0.25343E-03 ppm1      8.228 ppm2      3.008 CV     1
 ASSI {  293}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      4.200     2.200     1.800 peak   293 spectrum    1 weight  0.10000E+01 volume  0.33760E-03 ppm1      8.227 ppm2      2.883 CV     1
 ASSI {  294}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      4.900     2.900     1.100 peak   294 spectrum    1 weight  0.10000E+01 volume  0.23817E-03 ppm1      8.229 ppm2      2.754 CV     1
 ASSI {  295}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HG  ))
      3.600     3.600     2.400 peak   295 spectrum    1 weight  0.10000E+01 volume  0.28601E-03 ppm1      8.226 ppm2      1.584 CV     1
 ASSI {  296}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HB1 ))
      3.800     1.800     1.800 peak   296 spectrum    1 weight  0.10000E+01 volume  0.69238E-03 ppm1      8.225 ppm2      1.452 CV     1
 ASSI {  297}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
      3.500     1.500     1.500 peak   297 spectrum    1 weight  0.10000E+01 volume  0.69905E-03 ppm1      8.227 ppm2      1.237 CV     1
 ASSI {  298}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 26   and name HD2%)
      4.900     3.000     1.100 peak   298 spectrum    1 weight  0.10000E+01 volume  0.35987E-03 ppm1      8.228 ppm2      0.796 CV     1
 ASSI {  299}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 26   and name HD1%)
      3.100     1.200     1.200 peak   299 spectrum    1 weight  0.10000E+01 volume  0.71137E-03 ppm1      8.228 ppm2      0.692 CV     1
 ASSI {  300}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 45   and name HD2%)
      5.300     3.500     0.700 peak   300 spectrum    1 weight  0.10000E+01 volume  0.35134E-03 ppm1      7.263 ppm2      0.357 CV     1
 ASSI {  301}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 45   and name HD1%)
      5.600     3.900     0.400 peak   301 spectrum    1 weight  0.10000E+01 volume  0.36062E-03 ppm1      7.263 ppm2      0.205 CV     1
 ASSI {  306}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HB1 ))
      3.700     1.700     1.700 peak   306 spectrum    1 weight  0.10000E+01 volume  0.36284E-03 ppm1      7.265 ppm2      2.088 CV     1
 ASSI {  307}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
      3.800     1.800     1.800 peak   307 spectrum    1 weight  0.10000E+01 volume  0.59455E-03 ppm1      7.264 ppm2      1.851 CV     1
 ASSI {  308}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HG2 ))
      4.000     2.000     2.000 peak   308 spectrum    1 weight  0.10000E+01 volume  0.41397E-03 ppm1      7.263 ppm2      1.752 CV     1
 OR {  308}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HG1 ))
 ASSI {  311}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 66   and name HA1 ))
      5.300     3.500     0.700 peak   311 spectrum    1 weight  0.10000E+01 volume  0.18713E-03 ppm1      7.260 ppm2      4.100 CV     1
 ASSI {  312}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      5.100     3.300     0.900 peak   312 spectrum    1 weight  0.10000E+01 volume  0.18886E-03 ppm1      7.264 ppm2      3.966 CV     1
 ASSI {  313}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 66   and name HA2 ))
      4.500     2.500     1.500 peak   313 spectrum    1 weight  0.10000E+01 volume  0.26717E-03 ppm1      7.262 ppm2      3.856 CV     1
 ASSI {  314}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      3.300     1.400     1.400 peak   314 spectrum    1 weight  0.10000E+01 volume  0.12902E-02 ppm1      7.264 ppm2      4.621 CV     1
 ASSI {  315}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HN  ))
      2.500     0.800     0.800 peak   315 spectrum    1 weight  0.10000E+01 volume  0.32848E-02 ppm1      7.263 ppm2      7.442 CV     1
 ASSI {  316}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 66   and name HN  ))
      4.600     2.600     1.400 peak   316 spectrum    1 weight  0.10000E+01 volume  0.35559E-03 ppm1      7.266 ppm2      8.010 CV     1
 ASSI {  317}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 69   and name HN  ))
      4.300     2.300     1.700 peak   317 spectrum    1 weight  0.10000E+01 volume  0.40187E-03 ppm1      7.264 ppm2      9.069 CV     1
 ASSI {  318}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      2.700     0.900     0.900 peak   318 spectrum    1 weight  0.10000E+01 volume  0.25436E-02 ppm1      8.836 ppm2      8.246 CV     1
 ASSI {  319}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HB  ))
      2.200     0.600     0.600 peak   319 spectrum    1 weight  0.10000E+01 volume  0.51973E-02 ppm1      8.836 ppm2      4.850 CV     1
 ASSI {  320}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      2.800     1.000     1.000 peak   320 spectrum    1 weight  0.10000E+01 volume  0.32894E-02 ppm1      8.835 ppm2      4.765 CV     1
 ASSI {  322}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      2.600     0.900     0.900 peak   322 spectrum    1 weight  0.10000E+01 volume  0.30937E-02 ppm1      8.836 ppm2      3.864 CV     1
 ASSI {  330}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 33   and name HD1%)
      2.800     1.000     1.000 peak   330 spectrum    1 weight  0.10000E+01 volume  0.13422E-02 ppm1      8.453 ppm2      0.953 CV     1
 ASSI {  331}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HG1 ))
      2.600     0.900     0.900 peak   331 spectrum    1 weight  0.10000E+01 volume  0.20813E-02 ppm1      8.457 ppm2      1.940 CV     1
 ASSI {  332}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      2.600     0.900     0.900 peak   332 spectrum    1 weight  0.10000E+01 volume  0.21845E-02 ppm1      8.457 ppm2      1.855 CV     1
 ASSI {  333}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HB1 ))
      3.200     1.200     1.200 peak   333 spectrum    1 weight  0.10000E+01 volume  0.13463E-02 ppm1      8.457 ppm2      1.771 CV     1
 OR {  333}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HG  ))
 ASSI {  334}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HG2 ))
      4.100     2.100     1.900 peak   334 spectrum    1 weight  0.10000E+01 volume  0.97261E-03 ppm1      8.454 ppm2      1.620 CV     1
 ASSI {  335}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
      3.900     1.900     1.900 peak   335 spectrum    1 weight  0.10000E+01 volume  0.13708E-02 ppm1      8.453 ppm2      2.176 CV     1
 ASSI {  336}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HD1 ))
      5.300     3.500     0.700 peak   336 spectrum    1 weight  0.10000E+01 volume  0.33404E-03 ppm1      8.457 ppm2      3.447 CV     1
 ASSI {  337}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HD2 ))
      5.000     3.100     1.000 peak   337 spectrum    1 weight  0.10000E+01 volume  0.39068E-03 ppm1      8.456 ppm2      3.348 CV     1
 ASSI {  338}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      3.700     1.700     1.700 peak   338 spectrum    1 weight  0.10000E+01 volume  0.59561E-03 ppm1      8.456 ppm2      3.098 CV     1
 ASSI {  339}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      3.700     1.700     1.700 peak   339 spectrum    1 weight  0.10000E+01 volume  0.67814E-03 ppm1      8.456 ppm2      2.993 CV     1
 ASSI {  341}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      3.500     1.500     1.500 peak   341 spectrum    1 weight  0.10000E+01 volume  0.64697E-03 ppm1      8.456 ppm2      4.738 CV     1
 ASSI {  342}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      5.000     3.200     1.000 peak   342 spectrum    1 weight  0.10000E+01 volume  0.31992E-03 ppm1      8.455 ppm2      7.203 CV     1
 ASSI {  343}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      4.400     2.400     1.600 peak   343 spectrum    1 weight  0.10000E+01 volume  0.34530E-03 ppm1      8.459 ppm2      7.568 CV     1
 ASSI {  345}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      3.700     1.700     1.700 peak   345 spectrum    1 weight  0.10000E+01 volume  0.14721E-02 ppm1      8.133 ppm2      8.608 CV     1
 ASSI {  348}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HA1 ))
      2.600     0.800     0.800 peak   348 spectrum    1 weight  0.10000E+01 volume  0.60974E-02 ppm1      8.132 ppm2      4.073 CV     1
 OR {  348}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HA2 ))
 ASSI {  349}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      2.700     0.900     0.900 peak   349 spectrum    1 weight  0.10000E+01 volume  0.34754E-02 ppm1      8.134 ppm2      4.324 CV     1
 ASSI {  350}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
      3.300     3.300     2.700 peak   350 spectrum    1 weight  0.10000E+01 volume  0.52128E-03 ppm1      8.134 ppm2      2.840 CV     1
 OR {  350}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
 ASSI {  353}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HG1 ))
      4.600     2.700     1.400 peak   353 spectrum    1 weight  0.10000E+01 volume  0.66705E-03 ppm1      7.968 ppm2      1.394 CV     1
 ASSI {  357}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HG1 ))
      3.100     1.200     1.200 peak   357 spectrum    1 weight  0.10000E+01 volume  0.32994E-02 ppm1      7.968 ppm2      1.919 CV     1
 ASSI {  358}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      3.600     1.600     1.600 peak   358 spectrum    1 weight  0.10000E+01 volume  0.10378E-02 ppm1      7.968 ppm2      3.523 CV     1
 ASSI {  359}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HD2 ))
      4.900     3.000     1.100 peak   359 spectrum    1 weight  0.10000E+01 volume  0.36736E-03 ppm1      7.967 ppm2      3.309 CV     1
 ASSI {  360}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HD1 ))
      5.100     3.300     0.900 peak   360 spectrum    1 weight  0.10000E+01 volume  0.31337E-03 ppm1      7.967 ppm2      3.201 CV     1
 OR {  360}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HD2 ))
 ASSI {  362}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      2.500     0.800     0.800 peak   362 spectrum    1 weight  0.10000E+01 volume  0.39975E-02 ppm1      7.968 ppm2      4.029 CV     1
 ASSI {  363}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      4.100     2.100     1.900 peak   363 spectrum    1 weight  0.10000E+01 volume  0.81245E-03 ppm1      7.967 ppm2      4.618 CV     1
 ASSI {  364}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      3.300     1.400     1.400 peak   364 spectrum    1 weight  0.10000E+01 volume  0.11324E-02 ppm1      7.969 ppm2      4.550 CV     1
 ASSI {  365}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      2.400     0.700     0.700 peak   365 spectrum    1 weight  0.10000E+01 volume  0.44947E-02 ppm1      7.968 ppm2      7.700 CV     1
 ASSI {  366}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      2.800     1.000     1.000 peak   366 spectrum    1 weight  0.10000E+01 volume  0.30168E-02 ppm1      7.968 ppm2      8.836 CV     1
 ASSI {  370}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HB  ))
      5.000     3.100     1.000 peak   370 spectrum    1 weight  0.10000E+01 volume  0.38121E-03 ppm1      8.632 ppm2      2.196 CV     1
 ASSI {  379}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      2.700     0.900     0.900 peak   379 spectrum    1 weight  0.10000E+01 volume  0.27117E-02 ppm1      8.631 ppm2      7.398 CV     1
 ASSI {  382}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      2.900     1.000     1.000 peak   382 spectrum    1 weight  0.10000E+01 volume  0.22385E-02 ppm1      8.483 ppm2      4.841 CV     1
 ASSI {  387}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HB1 ))
      3.100     1.200     1.200 peak   387 spectrum    1 weight  0.10000E+01 volume  0.72304E-03 ppm1      7.837 ppm2      1.861 CV     1
 ASSI {  388}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
      3.800     1.800     1.800 peak   388 spectrum    1 weight  0.10000E+01 volume  0.16017E-02 ppm1      7.836 ppm2      1.611 CV     1
 ASSI {  389}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HG1 ))
      3.100     1.200     1.200 peak   389 spectrum    1 weight  0.10000E+01 volume  0.23484E-02 ppm1      7.836 ppm2      2.640 CV     1
 ASSI {  390}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HB1 ))
      3.300     1.300     1.300 peak   390 spectrum    1 weight  0.10000E+01 volume  0.34534E-02 ppm1      7.836 ppm2      2.480 CV     1
 ASSI {  391}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HB2 ))
      2.600     0.900     0.900 peak   391 spectrum    1 weight  0.10000E+01 volume  0.19206E-02 ppm1      7.836 ppm2      2.270 CV     1
 ASSI {  394}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 70   and name HB  ))
      4.100     2.100     1.900 peak   394 spectrum    1 weight  0.10000E+01 volume  0.37745E-03 ppm1      7.837 ppm2      4.625 CV     1
 ASSI {  395}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
      2.700     0.900     0.900 peak   395 spectrum    1 weight  0.10000E+01 volume  0.23173E-02 ppm1      7.838 ppm2      7.716 CV     1
 ASSI {  397}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HN  ))
      2.800     1.000     1.000 peak   397 spectrum    1 weight  0.10000E+01 volume  0.19556E-02 ppm1      7.837 ppm2      8.992 CV     1
 ASSI {  398}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 75   and name HN  ))
      4.000     2.000     2.000 peak   398 spectrum    1 weight  0.10000E+01 volume  0.43851E-03 ppm1      7.830 ppm2      8.729 CV     1
 ASSI {  399}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 70   and name HN  ))
      3.900     1.900     1.900 peak   399 spectrum    1 weight  0.10000E+01 volume  0.58059E-03 ppm1      7.834 ppm2      7.479 CV     1
 ASSI {  400}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 85   and name HN  ))
      2.400     0.700     0.700 peak   400 spectrum    1 weight  0.10000E+01 volume  0.58615E-02 ppm1      7.745 ppm2      7.839 CV     1
 ASSI {  401}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HN  ))
      2.600     0.800     0.800 peak   401 spectrum    1 weight  0.10000E+01 volume  0.43800E-02 ppm1      7.745 ppm2      7.956 CV     1
 ASSI {  405}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HG1 ))
      3.200     1.300     1.300 peak   405 spectrum    1 weight  0.10000E+01 volume  0.15252E-02 ppm1      7.745 ppm2      2.542 CV     1
 ASSI {  407}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HB1 ))
      3.500     1.500     1.500 peak   407 spectrum    1 weight  0.10000E+01 volume  0.24144E-02 ppm1      7.745 ppm2      2.278 CV     1
 ASSI {  408}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HB2 ))
      2.400     0.700     0.700 peak   408 spectrum    1 weight  0.10000E+01 volume  0.54360E-02 ppm1      7.745 ppm2      2.124 CV     1
 ASSI {  412}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 68   and name HG2%)
      4.500     2.500     1.500 peak   412 spectrum    1 weight  0.10000E+01 volume  0.50315E-03 ppm1      7.440 ppm2      1.220 CV     1
 ASSI {  413}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 68   and name HG1%)
      4.700     2.700     1.300 peak   413 spectrum    1 weight  0.10000E+01 volume  0.41841E-03 ppm1      7.440 ppm2      1.134 CV     1
 ASSI {  420}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      4.300     2.300     1.700 peak   420 spectrum    1 weight  0.10000E+01 volume  0.39223E-03 ppm1      7.441 ppm2      3.973 CV     1
 ASSI {  426}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 35   and name HD% )
      4.900     3.000     1.100 peak   426 spectrum    1 weight  0.10000E+01 volume  0.36562E-03 ppm1      9.546 ppm2      7.110 CV     1
 ASSI {  430}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HB1 ))
      3.600     1.600     1.600 peak   430 spectrum    1 weight  0.10000E+01 volume  0.11191E-02 ppm1      9.547 ppm2      3.586 CV     1
 ASSI {  433}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      3.800     1.800     1.800 peak   433 spectrum    1 weight  0.10000E+01 volume  0.69565E-03 ppm1      9.546 ppm2      1.858 CV     1
 ASSI {  434}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 34   and name HG2 ))
      5.000     3.200     1.000 peak   434 spectrum    1 weight  0.10000E+01 volume  0.37839E-03 ppm1      9.544 ppm2      1.626 CV     1
 ASSI {  435}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      2.900     1.100     1.100 peak   435 spectrum    1 weight  0.10000E+01 volume  0.39366E-02 ppm1      9.546 ppm2      2.143 CV     1
 ASSI {  439}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 70   and name HB  ))
      3.100     1.200     1.200 peak   439 spectrum    1 weight  0.10000E+01 volume  0.11727E-02 ppm1      8.993 ppm2      4.631 CV     1
 ASSI {  443}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      3.000     1.100     1.100 peak   443 spectrum    1 weight  0.10000E+01 volume  0.14935E-02 ppm1      8.994 ppm2      3.308 CV     1
 ASSI {  449}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HB2 ))
      2.700     0.900     0.900 peak   449 spectrum    1 weight  0.10000E+01 volume  0.16384E-02 ppm1      8.993 ppm2      2.004 CV     1
 ASSI {  450}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HB1 ))
      2.600     0.800     0.800 peak   450 spectrum    1 weight  0.10000E+01 volume  0.30363E-02 ppm1      8.994 ppm2      1.862 CV     1
 ASSI {  452}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HG2 ))
      4.400     2.400     1.600 peak   452 spectrum    1 weight  0.10000E+01 volume  0.96735E-03 ppm1      8.993 ppm2      1.513 CV     1
 ASSI {  459}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
      3.900     1.900     1.900 peak   459 spectrum    1 weight  0.10000E+01 volume  0.11258E-02 ppm1      8.879 ppm2      0.788 CV     1
 ASSI {  460}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 5    and name HD1%)
      4.700     2.800     1.300 peak   460 spectrum    1 weight  0.10000E+01 volume  0.46902E-03 ppm1      8.878 ppm2      0.620 CV     1
 OR {  460}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 5    and name HD2%)
 ASSI {  461}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HG12))
      4.800     2.800     1.200 peak   461 spectrum    1 weight  0.10000E+01 volume  0.53224E-03 ppm1      8.878 ppm2      1.283 CV     1
 ASSI {  463}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HB  ))
      2.300     0.700     0.700 peak   463 spectrum    1 weight  0.10000E+01 volume  0.40725E-02 ppm1      8.878 ppm2      1.934 CV     1
 ASSI {  464}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 82   and name HG  ))
      4.200     2.200     1.800 peak   464 spectrum    1 weight  0.10000E+01 volume  0.44806E-03 ppm1      8.877 ppm2      1.836 CV     1
 ASSI {  469}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      3.700     1.700     1.700 peak   469 spectrum    1 weight  0.10000E+01 volume  0.64877E-03 ppm1      8.879 ppm2      3.893 CV     1
 ASSI {  470}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      3.300     1.300     1.300 peak   470 spectrum    1 weight  0.10000E+01 volume  0.11500E-02 ppm1      8.880 ppm2      3.740 CV     1
 ASSI {  471}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HB1 ))
      3.300     1.400     1.400 peak   471 spectrum    1 weight  0.10000E+01 volume  0.46345E-02 ppm1      8.879 ppm2      3.089 CV     1
 ASSI {  474}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      2.800     0.900     0.900 peak   474 spectrum    1 weight  0.10000E+01 volume  0.27847E-02 ppm1      8.879 ppm2      4.905 CV     1
 ASSI {  476}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 81   and name HN  ))
      4.000     2.000     2.000 peak   476 spectrum    1 weight  0.10000E+01 volume  0.59653E-03 ppm1      8.880 ppm2      7.574 CV     1
 ASSI {  477}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HD21))
      2.900     1.100     1.100 peak   477 spectrum    1 weight  0.10000E+01 volume  0.62932E-03 ppm1      8.879 ppm2      7.323 CV     1
 ASSI {  479}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HN  ))
      2.300     0.700     0.700 peak   479 spectrum    1 weight  0.10000E+01 volume  0.46301E-02 ppm1      8.878 ppm2      8.271 CV     1
 ASSI {  480}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      2.500     0.800     0.800 peak   480 spectrum    1 weight  0.10000E+01 volume  0.34000E-02 ppm1      8.691 ppm2      8.007 CV     1
 ASSI {  481}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
      3.800     1.800     1.800 peak   481 spectrum    1 weight  0.10000E+01 volume  0.53003E-03 ppm1      8.693 ppm2      7.701 CV     1
 ASSI {  482}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      2.700     0.900     0.900 peak   482 spectrum    1 weight  0.10000E+01 volume  0.34527E-02 ppm1      8.691 ppm2      4.483 CV     1
 ASSI {  483}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      3.400     1.400     1.400 peak   483 spectrum    1 weight  0.10000E+01 volume  0.90481E-03 ppm1      8.671 ppm2      4.384 CV     1
 ASSI {  484}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      2.700     0.900     0.900 peak   484 spectrum    1 weight  0.10000E+01 volume  0.29119E-02 ppm1      8.668 ppm2      4.277 CV     1
 ASSI {  485}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HB  ))
      3.600     1.600     1.600 peak   485 spectrum    1 weight  0.10000E+01 volume  0.14712E-02 ppm1      8.665 ppm2      4.183 CV     1
 ASSI {  486}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      3.400     1.500     1.500 peak   486 spectrum    1 weight  0.10000E+01 volume  0.89057E-03 ppm1      8.692 ppm2      3.887 CV     1
 ASSI {  487}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      3.700     1.700     1.700 peak   487 spectrum    1 weight  0.10000E+01 volume  0.78391E-03 ppm1      8.691 ppm2      3.605 CV     1
 ASSI {  488}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HB1 ))
      2.600     0.800     0.800 peak   488 spectrum    1 weight  0.10000E+01 volume  0.41281E-02 ppm1      8.691 ppm2      2.774 CV     1
 ASSI {  489}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HB1 ))
      2.500     0.800     0.800 peak   489 spectrum    1 weight  0.10000E+01 volume  0.38498E-02 ppm1      8.691 ppm2      2.190 CV     1
 ASSI {  490}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 77   and name HB1 ))
      5.300     3.500     0.700 peak   490 spectrum    1 weight  0.10000E+01 volume  0.46244E-03 ppm1      8.689 ppm2      2.023 CV     1
 ASSI {  492}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
      3.600     1.600     1.600 peak   492 spectrum    1 weight  0.10000E+01 volume  0.22577E-02 ppm1      8.690 ppm2      1.543 CV     1
 ASSI {  493}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 3    and name HG2%)
      4.200     2.200     1.800 peak   493 spectrum    1 weight  0.10000E+01 volume  0.34312E-03 ppm1      8.665 ppm2      1.381 CV     1
 ASSI {  495}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 74   and name HD2%)
      4.700     2.700     1.300 peak   495 spectrum    1 weight  0.10000E+01 volume  0.30540E-03 ppm1      8.694 ppm2      1.053 CV     1
 OR {  495}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 74   and name HD1%)
 ASSI {  501}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      3.100     1.200     1.200 peak   501 spectrum    1 weight  0.10000E+01 volume  0.13165E-02 ppm1      8.316 ppm2      3.880 CV     1
 ASSI {  502}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HB  ))
      2.600     0.800     0.800 peak   502 spectrum    1 weight  0.10000E+01 volume  0.33887E-02 ppm1      8.316 ppm2      4.408 CV     1
 ASSI {  503}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      3.600     1.600     1.600 peak   503 spectrum    1 weight  0.10000E+01 volume  0.96042E-03 ppm1      8.317 ppm2      4.308 CV     1
 ASSI {  505}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
      3.900     1.900     1.900 peak   505 spectrum    1 weight  0.10000E+01 volume  0.15004E-02 ppm1      8.315 ppm2      1.124 CV     1
 ASSI {  508}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HG1 ))
      4.500     2.600     1.500 peak   508 spectrum    1 weight  0.10000E+01 volume  0.46569E-03 ppm1      8.317 ppm2      2.614 CV     1
 ASSI {  509}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HG2 ))
      4.800     2.900     1.200 peak   509 spectrum    1 weight  0.10000E+01 volume  0.40658E-03 ppm1      8.312 ppm2      2.463 CV     1
 ASSI {  511}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      3.700     1.700     1.700 peak   511 spectrum    1 weight  0.10000E+01 volume  0.17310E-02 ppm1      8.316 ppm2      2.201 CV     1
 ASSI {  512}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      2.500     0.800     0.800 peak   512 spectrum    1 weight  0.10000E+01 volume  0.36700E-02 ppm1      8.317 ppm2      8.492 CV     1
 ASSI {  513}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      2.600     0.900     0.900 peak   513 spectrum    1 weight  0.10000E+01 volume  0.35547E-02 ppm1      8.317 ppm2      8.763 CV     1
 ASSI {  514}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      2.700     0.900     0.900 peak   514 spectrum    1 weight  0.10000E+01 volume  0.23327E-02 ppm1      7.561 ppm2      9.545 CV     1
 ASSI {  518}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      2.900     1.100     1.100 peak   518 spectrum    1 weight  0.10000E+01 volume  0.24549E-02 ppm1      7.562 ppm2      4.809 CV     1
 ASSI {  519}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      2.600     0.900     0.900 peak   519 spectrum    1 weight  0.10000E+01 volume  0.43541E-02 ppm1      7.562 ppm2      3.092 CV     1
 ASSI {  521}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HG1 ))
      3.100     1.200     1.200 peak   521 spectrum    1 weight  0.10000E+01 volume  0.16493E-02 ppm1      7.562 ppm2      2.502 CV     1
 OR {  521}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HG2 ))
 ASSI {  522}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
      3.400     1.400     1.400 peak   522 spectrum    1 weight  0.10000E+01 volume  0.12277E-02 ppm1      7.561 ppm2      2.255 CV     1
 ASSI {  524}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 34   and name HG1 ))
      4.500     2.500     1.500 peak   524 spectrum    1 weight  0.10000E+01 volume  0.61007E-03 ppm1      7.561 ppm2      1.936 CV     1
 ASSI {  525}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      2.700     0.900     0.900 peak   525 spectrum    1 weight  0.10000E+01 volume  0.20111E-02 ppm1      7.562 ppm2      1.850 CV     1
 ASSI {  527}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 38   and name HD1%)
      5.500     3.800     0.500 peak   527 spectrum    1 weight  0.10000E+01 volume  0.34300E-03 ppm1      7.566 ppm2      0.866 CV     1
 ASSI {  529}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 38   and name HG12))
      4.500     2.500     1.500 peak   529 spectrum    1 weight  0.10000E+01 volume  0.40746E-03 ppm1      7.564 ppm2      1.544 CV     1
 ASSI {  531}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 31   and name HD2%)
      3.100     1.200     1.200 peak   531 spectrum    1 weight  0.10000E+01 volume  0.16295E-02 ppm1      7.509 ppm2      0.778 CV     1
 ASSI {  536}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 71   and name HB2 ))
      4.900     3.000     1.100 peak   536 spectrum    1 weight  0.10000E+01 volume  0.20587E-03 ppm1      7.506 ppm2      2.016 CV     1
 ASSI {  539}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      3.900     1.900     1.900 peak   539 spectrum    1 weight  0.10000E+01 volume  0.47498E-03 ppm1      7.504 ppm2      4.741 CV     1
 ASSI {  540}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      4.200     2.200     1.800 peak   540 spectrum    1 weight  0.10000E+01 volume  0.91251E-03 ppm1      7.510 ppm2      4.845 CV     1
 ASSI {  541}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 30   and name HD% )
      3.600     1.700     1.700 peak   541 spectrum    1 weight  0.10000E+01 volume  0.15376E-02 ppm1      7.506 ppm2      7.316 CV     1
 ASSI {  544}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 65   and name HN  ))
      2.400     0.700     0.700 peak   544 spectrum    1 weight  0.10000E+01 volume  0.57204E-02 ppm1      7.397 ppm2      8.214 CV     1
 ASSI {  548}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      5.000     3.100     1.000 peak   548 spectrum    1 weight  0.10000E+01 volume  0.36653E-03 ppm1      7.396 ppm2      3.978 CV     1
 ASSI {  551}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 61   and name HD2 ))
      5.100     3.300     0.900 peak   551 spectrum    1 weight  0.10000E+01 volume  0.28750E-03 ppm1      7.397 ppm2      3.567 CV     1
 ASSI {  553}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      2.700     0.900     0.900 peak   553 spectrum    1 weight  0.10000E+01 volume  0.17162E-02 ppm1      7.396 ppm2      2.062 CV     1
 ASSI {  554}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HB1 ))
      3.600     1.600     1.600 peak   554 spectrum    1 weight  0.10000E+01 volume  0.68052E-03 ppm1      7.400 ppm2      2.836 CV     1
 ASSI {  557}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 65   and name HB% )
      4.300     2.300     1.700 peak   557 spectrum    1 weight  0.10000E+01 volume  0.86953E-03 ppm1      7.396 ppm2      1.381 CV     1
 ASSI {  559}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 52   and name HD2%)
      4.800     2.900     1.200 peak   559 spectrum    1 weight  0.10000E+01 volume  0.60436E-03 ppm1      8.983 ppm2      1.031 CV     1
 ASSI {  560}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
      5.100     3.300     0.900 peak   560 spectrum    1 weight  0.10000E+01 volume  0.44790E-03 ppm1      8.985 ppm2      0.929 CV     1
 ASSI {  565}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
      3.500     1.500     1.500 peak   565 spectrum    1 weight  0.10000E+01 volume  0.26480E-02 ppm1      8.985 ppm2      2.516 CV     1
 ASSI {  566}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
      2.300     0.700     0.700 peak   566 spectrum    1 weight  0.10000E+01 volume  0.43310E-02 ppm1      8.985 ppm2      2.344 CV     1
 ASSI {  568}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HG  ))
      4.400     2.400     1.600 peak   568 spectrum    1 weight  0.10000E+01 volume  0.63275E-03 ppm1      8.987 ppm2      2.037 CV     1
 ASSI {  573}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      3.700     1.700     1.700 peak   573 spectrum    1 weight  0.10000E+01 volume  0.56529E-03 ppm1      8.986 ppm2      3.947 CV     1
 ASSI {  576}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      2.600     0.900     0.900 peak   576 spectrum    1 weight  0.10000E+01 volume  0.26544E-02 ppm1      8.986 ppm2      8.397 CV     1
 ASSI {  577}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      2.500     0.800     0.800 peak   577 spectrum    1 weight  0.10000E+01 volume  0.38279E-02 ppm1      8.834 ppm2      8.065 CV     1
 ASSI {  579}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      3.700     1.700     1.700 peak   579 spectrum    1 weight  0.10000E+01 volume  0.72894E-03 ppm1      8.835 ppm2      7.879 CV     1
 ASSI {  580}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      4.000     2.000     2.000 peak   580 spectrum    1 weight  0.10000E+01 volume  0.47401E-03 ppm1      8.833 ppm2      7.698 CV     1
 ASSI {  582}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 30   and name HE% )
      3.800     1.800     1.800 peak   582 spectrum    1 weight  0.10000E+01 volume  0.93989E-03 ppm1      8.834 ppm2      7.215 CV     1
 ASSI {  583}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      3.100     1.200     1.200 peak   583 spectrum    1 weight  0.10000E+01 volume  0.18487E-02 ppm1      8.835 ppm2      4.621 CV     1
 ASSI {  584}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      3.400     1.400     1.400 peak   584 spectrum    1 weight  0.10000E+01 volume  0.10984E-02 ppm1      8.834 ppm2      4.211 CV     1
 ASSI {  585}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      3.800     1.800     1.800 peak   585 spectrum    1 weight  0.10000E+01 volume  0.63572E-03 ppm1      8.835 ppm2      3.863 CV     1
 ASSI {  586}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      2.700     0.900     0.900 peak   586 spectrum    1 weight  0.10000E+01 volume  0.31716E-02 ppm1      8.835 ppm2      3.520 CV     1
 ASSI {  587}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HD1 ))
      5.000     3.200     1.000 peak   587 spectrum    1 weight  0.10000E+01 volume  0.52104E-03 ppm1      8.835 ppm2      3.196 CV     1
 OR {  587}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HD2 ))
 ASSI {  589}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      2.200     0.600     0.600 peak   589 spectrum    1 weight  0.10000E+01 volume  0.79609E-02 ppm1      8.835 ppm2      2.042 CV     1
 OR {  589}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI {  591}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB1 ))
      2.600     0.800     0.800 peak   591 spectrum    1 weight  0.10000E+01 volume  0.27616E-02 ppm1      8.835 ppm2      2.331 CV     1
 ASSI {  596}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 10   and name HD2%)
      3.700     1.700     1.700 peak   596 spectrum    1 weight  0.10000E+01 volume  0.15016E-02 ppm1      8.835 ppm2      1.139 CV     1
 ASSI {  604}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 14   and name HD1%)
      4.100     2.100     1.900 peak   604 spectrum    1 weight  0.10000E+01 volume  0.14975E-02 ppm1      8.394 ppm2      0.768 CV     1
 ASSI {  605}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 13   and name HB% )
      2.700     0.900     0.900 peak   605 spectrum    1 weight  0.10000E+01 volume  0.36864E-02 ppm1      8.395 ppm2      1.669 CV     1
 ASSI {  606}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
      2.300     0.700     0.700 peak   606 spectrum    1 weight  0.10000E+01 volume  0.50906E-02 ppm1      8.395 ppm2      1.983 CV     1
 ASSI {  608}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 15   and name HB  ))
      4.700     2.800     1.300 peak   608 spectrum    1 weight  0.10000E+01 volume  0.52821E-03 ppm1      8.396 ppm2      2.275 CV     1
 ASSI {  611}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      2.500     0.800     0.800 peak   611 spectrum    1 weight  0.10000E+01 volume  0.44206E-02 ppm1      8.396 ppm2      7.702 CV     1
 ASSI {  612}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      2.700     0.900     0.900 peak   612 spectrum    1 weight  0.10000E+01 volume  0.27147E-02 ppm1      8.107 ppm2      8.400 CV     1
 ASSI {  613}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      3.200     1.200     1.200 peak   613 spectrum    1 weight  0.10000E+01 volume  0.12510E-02 ppm1      8.107 ppm2      8.230 CV     1
 ASSI {  616}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
      2.600     0.900     0.900 peak   616 spectrum    1 weight  0.10000E+01 volume  0.37571E-02 ppm1      8.107 ppm2      2.195 CV     1
 ASSI {  624}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      3.400     1.500     1.500 peak   624 spectrum    1 weight  0.10000E+01 volume  0.10375E-02 ppm1      7.699 ppm2      4.030 CV     1
 ASSI {  629}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 45   and name HD2%)
      4.700     2.800     1.300 peak   629 spectrum    1 weight  0.10000E+01 volume  0.53461E-03 ppm1      8.238 ppm2      0.355 CV     1
 ASSI {  630}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 45   and name HD1%)
      5.000     3.100     1.000 peak   630 spectrum    1 weight  0.10000E+01 volume  0.46492E-03 ppm1      8.238 ppm2      0.206 CV     1
 ASSI {  636}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      2.700     0.900     0.900 peak   636 spectrum    1 weight  0.10000E+01 volume  0.31331E-02 ppm1      8.227 ppm2      8.764 CV     1
 ASSI {  638}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      2.400     0.700     0.700 peak   638 spectrum    1 weight  0.10000E+01 volume  0.42812E-02 ppm1      8.270 ppm2      7.999 CV     1
 ASSI {  643}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 6    and name HB  ))
      3.300     1.400     1.400 peak   643 spectrum    1 weight  0.10000E+01 volume  0.17432E-02 ppm1      8.246 ppm2      4.851 CV     1
 ASSI {  648}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      2.600     0.800     0.800 peak   648 spectrum    1 weight  0.10000E+01 volume  0.31919E-02 ppm1      8.274 ppm2      4.218 CV     1
 ASSI {  651}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      3.200     1.300     1.300 peak   651 spectrum    1 weight  0.10000E+01 volume  0.18579E-02 ppm1      8.215 ppm2      3.941 CV     1
 ASSI {  652}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      3.300     1.300     1.300 peak   652 spectrum    1 weight  0.10000E+01 volume  0.96638E-03 ppm1      8.269 ppm2      3.891 CV     1
 ASSI {  657}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HG11))
      2.200     0.600     0.600 peak   657 spectrum    1 weight  0.10000E+01 volume  0.46533E-02 ppm1      8.271 ppm2      1.724 CV     1
 ASSI {  661}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HG12))
      3.300     1.300     1.300 peak   661 spectrum    1 weight  0.10000E+01 volume  0.29241E-02 ppm1      8.271 ppm2      1.283 CV     1
 ASSI {  662}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 15   and name HG2%)
      3.900     1.900     1.900 peak   662 spectrum    1 weight  0.10000E+01 volume  0.19521E-02 ppm1      8.214 ppm2      1.118 CV     1
 ASSI {  663}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 74   and name HD2%)
      3.600     1.600     1.600 peak   663 spectrum    1 weight  0.10000E+01 volume  0.11012E-02 ppm1      8.272 ppm2      1.055 CV     1
 OR {  663}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 74   and name HD1%)
 ASSI {  664}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 15   and name HG1%)
      3.600     1.700     1.700 peak   664 spectrum    1 weight  0.10000E+01 volume  0.13782E-02 ppm1      8.214 ppm2      1.030 CV     1
 ASSI {  669}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 79   and name HB1 ))
      4.800     2.900     1.200 peak   669 spectrum    1 weight  0.10000E+01 volume  0.47965E-03 ppm1      8.271 ppm2      3.097 CV     1
 ASSI {  675}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 73   and name HG1 ))
      4.400     2.400     1.600 peak   675 spectrum    1 weight  0.10000E+01 volume  0.31604E-03 ppm1      9.076 ppm2      2.643 CV     1
 ASSI {  678}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HB1 ))
      3.200     1.300     1.300 peak   678 spectrum    1 weight  0.10000E+01 volume  0.33963E-02 ppm1      9.075 ppm2      3.018 CV     1
 ASSI {  683}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 70   and name HG2%)
      4.300     2.300     1.700 peak   683 spectrum    1 weight  0.10000E+01 volume  0.46918E-03 ppm1      9.075 ppm2      1.060 CV     1
 ASSI {  687}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 26   and name HD2%)
      4.200     2.200     1.800 peak   687 spectrum    1 weight  0.10000E+01 volume  0.74177E-03 ppm1      8.447 ppm2      0.787 CV     1
 ASSI {  689}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
      4.000     2.000     2.000 peak   689 spectrum    1 weight  0.10000E+01 volume  0.53504E-03 ppm1      8.402 ppm2      1.124 CV     1
 ASSI {  690}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 52   and name HD2%)
      3.700     1.700     1.700 peak   690 spectrum    1 weight  0.10000E+01 volume  0.14901E-02 ppm1      8.403 ppm2      1.037 CV     1
 ASSI {  691}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 15   and name HG2%)
      2.200     0.600     0.600 peak   691 spectrum    1 weight  0.10000E+01 volume  0.69771E-02 ppm1      8.448 ppm2      1.114 CV     1
 ASSI {  692}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 15   and name HG1%)
      3.700     1.700     1.700 peak   692 spectrum    1 weight  0.10000E+01 volume  0.25881E-02 ppm1      8.449 ppm2      1.030 CV     1
 ASSI {  694}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      3.800     1.900     1.900 peak   694 spectrum    1 weight  0.10000E+01 volume  0.15595E-02 ppm1      8.449 ppm2      1.439 CV     1
 ASSI {  696}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 13   and name HB% )
      5.400     3.600     0.600 peak   696 spectrum    1 weight  0.10000E+01 volume  0.19720E-03 ppm1      8.445 ppm2      1.659 CV     1
 ASSI {  699}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
      2.600     0.900     0.900 peak   699 spectrum    1 weight  0.10000E+01 volume  0.23823E-02 ppm1      8.448 ppm2      1.983 CV     1
 ASSI {  700}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HG  ))
      3.700     1.700     1.700 peak   700 spectrum    1 weight  0.10000E+01 volume  0.65377E-03 ppm1      8.449 ppm2      1.885 CV     1
 ASSI {  704}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HG1 ))
      3.700     1.700     1.700 peak   704 spectrum    1 weight  0.10000E+01 volume  0.16207E-02 ppm1      8.470 ppm2      2.407 CV     1
 OR {  704}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HG2 ))
 ASSI {  705}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      4.200     2.200     1.800 peak   705 spectrum    1 weight  0.10000E+01 volume  0.35484E-03 ppm1      8.447 ppm2      3.514 CV     1
 ASSI {  707}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      2.700     0.900     0.900 peak   707 spectrum    1 weight  0.10000E+01 volume  0.33463E-02 ppm1      8.449 ppm2      3.939 CV     1
 ASSI {  708}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 23   and name HA1 ))
      2.600     0.800     0.800 peak   708 spectrum    1 weight  0.10000E+01 volume  0.57425E-02 ppm1      8.469 ppm2      4.053 CV     1
 OR {  708}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 23   and name HA2 ))
 ASSI {  711}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      2.800     1.000     1.000 peak   711 spectrum    1 weight  0.10000E+01 volume  0.26460E-02 ppm1      8.469 ppm2      4.477 CV     1
 ASSI {  714}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      4.000     2.000     2.000 peak   714 spectrum    1 weight  0.10000E+01 volume  0.55439E-03 ppm1      8.450 ppm2      7.709 CV     1
 ASSI {  716}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      2.600     0.800     0.800 peak   716 spectrum    1 weight  0.10000E+01 volume  0.36310E-02 ppm1      8.450 ppm2      8.218 CV     1
 ASSI {  719}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      3.700     1.700     1.700 peak   719 spectrum    1 weight  0.10000E+01 volume  0.11337E-02 ppm1      7.886 ppm2      9.028 CV     1
 ASSI {  721}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      2.500     0.800     0.800 peak   721 spectrum    1 weight  0.10000E+01 volume  0.38770E-02 ppm1      7.885 ppm2      8.065 CV     1
 ASSI {  722}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      2.800     1.000     1.000 peak   722 spectrum    1 weight  0.10000E+01 volume  0.24349E-02 ppm1      7.884 ppm2      8.243 CV     1
 ASSI {  723}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 75   and name HN  ))
      2.500     0.800     0.800 peak   723 spectrum    1 weight  0.10000E+01 volume  0.41122E-02 ppm1      7.708 ppm2      8.725 CV     1
 ASSI {  726}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      2.800     1.000     1.000 peak   726 spectrum    1 weight  0.10000E+01 volume  0.28396E-02 ppm1      7.884 ppm2      4.550 CV     1
 ASSI {  727}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      3.500     1.500     1.500 peak   727 spectrum    1 weight  0.10000E+01 volume  0.99191E-03 ppm1      7.885 ppm2      4.620 CV     1
 ASSI {  730}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
      3.300     1.300     1.300 peak   730 spectrum    1 weight  0.10000E+01 volume  0.37668E-02 ppm1      7.885 ppm2      3.034 CV     1
 ASSI {  732}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 6    and name HG2%)
      4.800     2.900     1.200 peak   732 spectrum    1 weight  0.10000E+01 volume  0.58190E-03 ppm1      7.884 ppm2      1.410 CV     1
 ASSI {  733}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HG1 ))
      5.000     3.100     1.000 peak   733 spectrum    1 weight  0.10000E+01 volume  0.42647E-03 ppm1      7.708 ppm2      2.648 CV     1
 ASSI {  735}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HB2 ))
      2.900     1.000     1.000 peak   735 spectrum    1 weight  0.10000E+01 volume  0.10814E-02 ppm1      7.710 ppm2      2.262 CV     1
 ASSI {  736}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HB2 ))
      2.200     0.600     0.600 peak   736 spectrum    1 weight  0.10000E+01 volume  0.45718E-02 ppm1      7.708 ppm2      1.701 CV     1
 ASSI {  737}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 5    and name HD2%)
      4.800     2.900     1.200 peak   737 spectrum    1 weight  0.10000E+01 volume  0.45528E-03 ppm1      7.883 ppm2      0.635 CV     1
 ASSI {  738}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 68   and name HG2%)
      3.800     1.800     1.800 peak   738 spectrum    1 weight  0.10000E+01 volume  0.11854E-02 ppm1      7.709 ppm2      1.220 CV     1
 ASSI {  744}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 75   and name HD2%)
      4.400     2.400     1.600 peak   744 spectrum    1 weight  0.10000E+01 volume  0.11424E-02 ppm1      8.727 ppm2      0.873 CV     1
 ASSI {  745}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
      4.000     2.000     2.000 peak   745 spectrum    1 weight  0.10000E+01 volume  0.13753E-02 ppm1      8.727 ppm2      0.789 CV     1
 ASSI {  747}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
      2.700     0.900     0.900 peak   747 spectrum    1 weight  0.10000E+01 volume  0.30148E-02 ppm1      8.728 ppm2      1.542 CV     1
 ASSI {  748}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HB1 ))
      2.500     0.800     0.800 peak   748 spectrum    1 weight  0.10000E+01 volume  0.38469E-02 ppm1      8.728 ppm2      2.190 CV     1
 ASSI {  749}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      3.400     1.400     1.400 peak   749 spectrum    1 weight  0.10000E+01 volume  0.95862E-03 ppm1      8.726 ppm2      3.605 CV     1
 ASSI {  754}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 31   and name HD1%)
      4.300     2.300     1.700 peak   754 spectrum    1 weight  0.10000E+01 volume  0.37096E-03 ppm1      8.732 ppm2      0.453 CV     1
 ASSI {  756}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      4.500     2.500     1.500 peak   756 spectrum    1 weight  0.10000E+01 volume  0.36781E-03 ppm1      8.731 ppm2      8.013 CV     1
 ASSI {  762}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HG1 ))
      3.800     1.800     1.800 peak   762 spectrum    1 weight  0.10000E+01 volume  0.11215E-02 ppm1      8.064 ppm2      1.364 CV     1
 ASSI {  766}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      3.600     1.600     1.600 peak   766 spectrum    1 weight  0.10000E+01 volume  0.84875E-03 ppm1      8.073 ppm2      4.378 CV     1
 ASSI {  767}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      3.400     1.400     1.400 peak   767 spectrum    1 weight  0.10000E+01 volume  0.84478E-03 ppm1      8.068 ppm2      4.299 CV     1
 ASSI {  770}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      2.700     0.900     0.900 peak   770 spectrum    1 weight  0.10000E+01 volume  0.31397E-02 ppm1      8.461 ppm2      8.244 CV     1
 ASSI {  771}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      2.400     0.700     0.700 peak   771 spectrum    1 weight  0.10000E+01 volume  0.44375E-02 ppm1      8.463 ppm2      8.154 CV     1
 ASSI {  772}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      3.800     1.800     1.800 peak   772 spectrum    1 weight  0.10000E+01 volume  0.66621E-03 ppm1      8.463 ppm2      7.759 CV     1
 ASSI {  773}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 40   and name HD% )
      3.900     1.900     1.900 peak   773 spectrum    1 weight  0.10000E+01 volume  0.58081E-03 ppm1      8.461 ppm2      6.964 CV     1
 ASSI {  774}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 40   and name HE% )
      4.100     2.100     1.900 peak   774 spectrum    1 weight  0.10000E+01 volume  0.48355E-03 ppm1      8.463 ppm2      6.751 CV     1
 ASSI {  775}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
      5.100     3.200     0.900 peak   775 spectrum    1 weight  0.10000E+01 volume  0.30070E-03 ppm1      8.455 ppm2      4.339 CV     1
 ASSI {  778}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 46   and name HG2 ))
      4.700     2.800     1.300 peak   778 spectrum    1 weight  0.10000E+01 volume  0.43175E-03 ppm1      8.460 ppm2      2.764 CV     1
 ASSI {  779}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HB1 ))
      2.500     0.800     0.800 peak   779 spectrum    1 weight  0.10000E+01 volume  0.38666E-02 ppm1      8.462 ppm2      1.624 CV     1
 ASSI {  780}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HG  ))
      3.600     1.700     1.700 peak   780 spectrum    1 weight  0.10000E+01 volume  0.26563E-02 ppm1      8.462 ppm2      1.346 CV     1
 ASSI {  782}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 45   and name HD2%)
      4.600     2.600     1.400 peak   782 spectrum    1 weight  0.10000E+01 volume  0.94086E-03 ppm1      8.461 ppm2      0.355 CV     1
 ASSI {  783}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 45   and name HD1%)
      4.500     2.600     1.500 peak   783 spectrum    1 weight  0.10000E+01 volume  0.85504E-03 ppm1      8.462 ppm2      0.207 CV     1
 ASSI {  788}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      2.700     0.900     0.900 peak   788 spectrum    1 weight  0.10000E+01 volume  0.32703E-02 ppm1      8.065 ppm2      4.210 CV     1
 ASSI {  792}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
      2.700     0.900     0.900 peak   792 spectrum    1 weight  0.10000E+01 volume  0.23297E-02 ppm1      8.065 ppm2      2.703 CV     1
 ASSI {  793}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HB1 ))
      2.400     0.700     0.700 peak   793 spectrum    1 weight  0.10000E+01 volume  0.45263E-02 ppm1      8.066 ppm2      2.332 CV     1
 ASSI {  796}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 5    and name HD2%)
      3.700     1.700     1.700 peak   796 spectrum    1 weight  0.10000E+01 volume  0.11492E-02 ppm1      8.066 ppm2      0.631 CV     1
 ASSI {  797}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 10   and name HD2%)
      4.300     2.300     1.700 peak   797 spectrum    1 weight  0.10000E+01 volume  0.10985E-02 ppm1      8.065 ppm2      1.128 CV     1
 ASSI {  802}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 38   and name HG11))
      3.300     1.300     1.300 peak   802 spectrum    1 weight  0.10000E+01 volume  0.12321E-02 ppm1      8.063 ppm2      1.825 CV     1
 ASSI {  807}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 40   and name HD% )
      3.400     1.400     1.400 peak   807 spectrum    1 weight  0.10000E+01 volume  0.25134E-02 ppm1      8.063 ppm2      6.969 CV     1
 ASSI {  809}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HN  ))
      2.400     0.700     0.700 peak   809 spectrum    1 weight  0.10000E+01 volume  0.44278E-02 ppm1      7.956 ppm2      8.276 CV     1
 ASSI {  811}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      3.900     1.900     1.900 peak   811 spectrum    1 weight  0.10000E+01 volume  0.45800E-03 ppm1      7.957 ppm2      4.902 CV     1
 ASSI {  815}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      3.300     1.300     1.300 peak   815 spectrum    1 weight  0.10000E+01 volume  0.12337E-02 ppm1      7.956 ppm2      4.195 CV     1
 ASSI {  816}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 80   and name HA2 ))
      3.500     1.600     1.600 peak   816 spectrum    1 weight  0.10000E+01 volume  0.94964E-03 ppm1      7.958 ppm2      4.029 CV     1
 OR {  816}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 80   and name HA1 ))
 ASSI {  819}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HB1 ))
      3.400     1.400     1.400 peak   819 spectrum    1 weight  0.10000E+01 volume  0.23275E-02 ppm1      7.958 ppm2      2.006 CV     1
 ASSI {  823}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 21   and name HG2%)
      3.600     1.700     1.700 peak   823 spectrum    1 weight  0.10000E+01 volume  0.12908E-02 ppm1      8.494 ppm2      1.241 CV     1
 ASSI {  824}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
      2.900     1.000     1.000 peak   824 spectrum    1 weight  0.10000E+01 volume  0.57812E-02 ppm1      8.494 ppm2      2.837 CV     1
 OR {  824}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
 ASSI {  826}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HB  ))
      3.400     1.400     1.400 peak   826 spectrum    1 weight  0.10000E+01 volume  0.27274E-02 ppm1      8.494 ppm2      4.364 CV     1
 ASSI {  827}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      2.800     1.000     1.000 peak   827 spectrum    1 weight  0.10000E+01 volume  0.24794E-02 ppm1      8.493 ppm2      4.725 CV     1
 ASSI {  828}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      3.500     1.600     1.600 peak   828 spectrum    1 weight  0.10000E+01 volume  0.17815E-02 ppm1      8.495 ppm2      8.243 CV     1
 ASSI {  829}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 66   and name HN  ))
      2.600     0.800     0.800 peak   829 spectrum    1 weight  0.10000E+01 volume  0.32109E-02 ppm1      8.212 ppm2      8.030 CV     1
 ASSI {  833}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      3.500     1.600     1.600 peak   833 spectrum    1 weight  0.10000E+01 volume  0.71894E-03 ppm1      8.211 ppm2      4.455 CV     1
 ASSI {  837}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HG  ))
      4.500     2.500     1.500 peak   837 spectrum    1 weight  0.10000E+01 volume  0.79488E-03 ppm1      8.035 ppm2      1.199 CV     1
 ASSI {  838}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
      5.600     3.900     0.400 peak   838 spectrum    1 weight  0.10000E+01 volume  0.62068E-03 ppm1      8.034 ppm2      1.633 CV     1
 ASSI {  842}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      3.300     1.400     1.400 peak   842 spectrum    1 weight  0.10000E+01 volume  0.23283E-02 ppm1      8.036 ppm2      3.009 CV     1
 ASSI {  843}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HB1 ))
      4.200     2.200     1.800 peak   843 spectrum    1 weight  0.10000E+01 volume  0.88730E-03 ppm1      8.036 ppm2      2.890 CV     1
 ASSI {  844}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      4.400     2.400     1.600 peak   844 spectrum    1 weight  0.10000E+01 volume  0.74222E-03 ppm1      8.034 ppm2      2.665 CV     1
 ASSI {  845}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      2.100     0.600     0.600 peak   845 spectrum    1 weight  0.10000E+01 volume  0.83612E-02 ppm1      8.035 ppm2      4.842 CV     1
 ASSI {  846}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      2.900     1.000     1.000 peak   846 spectrum    1 weight  0.10000E+01 volume  0.17540E-02 ppm1      8.036 ppm2      4.741 CV     1
 ASSI {  847}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 30   and name HD% )
      2.200     0.600     0.600 peak   847 spectrum    1 weight  0.10000E+01 volume  0.57009E-02 ppm1      8.036 ppm2      7.304 CV     1
 ASSI {  849}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      2.100     0.600     0.600 peak   849 spectrum    1 weight  0.10000E+01 volume  0.58263E-02 ppm1      8.036 ppm2      7.505 CV     1
 ASSI {  851}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      2.400     0.700     0.700 peak   851 spectrum    1 weight  0.10000E+01 volume  0.51636E-02 ppm1      7.208 ppm2      8.044 CV     1
 ASSI {  852}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      4.100     2.100     1.900 peak   852 spectrum    1 weight  0.10000E+01 volume  0.54081E-03 ppm1      7.209 ppm2      7.499 CV     1
 ASSI {  853}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      3.500     1.500     1.500 peak   853 spectrum    1 weight  0.10000E+01 volume  0.11801E-02 ppm1      7.211 ppm2      5.046 CV     1
 ASSI {  854}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      3.500     1.500     1.500 peak   854 spectrum    1 weight  0.10000E+01 volume  0.72503E-03 ppm1      7.208 ppm2      4.733 CV     1
 ASSI {  855}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 70   and name HB  ))
      4.000     2.000     2.000 peak   855 spectrum    1 weight  0.10000E+01 volume  0.46488E-03 ppm1      7.209 ppm2      4.631 CV     1
 ASSI {  857}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 71   and name HD1 ))
      4.100     2.100     1.900 peak   857 spectrum    1 weight  0.10000E+01 volume  0.59606E-03 ppm1      7.210 ppm2      4.022 CV     1
 ASSI {  860}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 71   and name HD2 ))
      3.600     1.600     1.600 peak   860 spectrum    1 weight  0.10000E+01 volume  0.48390E-03 ppm1      7.210 ppm2      2.799 CV     1
 ASSI {  861}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      4.000     2.000     2.000 peak   861 spectrum    1 weight  0.10000E+01 volume  0.69290E-03 ppm1      7.208 ppm2      2.356 CV     1
 ASSI {  863}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HG  ))
      2.800     0.900     0.900 peak   863 spectrum    1 weight  0.10000E+01 volume  0.84997E-02 ppm1      7.207 ppm2      1.772 CV     1
 OR {  863}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HB1 ))
 ASSI {  865}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 33   and name HD2%)
      3.100     1.200     1.200 peak   865 spectrum    1 weight  0.10000E+01 volume  0.26625E-02 ppm1      7.208 ppm2      1.059 CV     1
 ASSI {  869}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
      2.600     0.800     0.800 peak   869 spectrum    1 weight  0.10000E+01 volume  0.24643E-02 ppm1      7.207 ppm2      1.408 CV     1
 ASSI {  872}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      3.700     1.700     1.700 peak   872 spectrum    1 weight  0.10000E+01 volume  0.11806E-02 ppm1      8.834 ppm2      2.066 CV     1
 ASSI {  874}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
      2.600     0.800     0.800 peak   874 spectrum    1 weight  0.10000E+01 volume  0.42569E-02 ppm1      8.833 ppm2      2.745 CV     1
 ASSI {  876}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      2.700     0.900     0.900 peak   876 spectrum    1 weight  0.10000E+01 volume  0.38354E-02 ppm1      8.833 ppm2      4.446 CV     1
 ASSI {  877}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      3.000     1.100     1.100 peak   877 spectrum    1 weight  0.10000E+01 volume  0.18972E-02 ppm1      8.835 ppm2      8.634 CV     1
 ASSI {  878}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      4.300     2.300     1.700 peak   878 spectrum    1 weight  0.10000E+01 volume  0.66243E-03 ppm1      8.665 ppm2      8.038 CV     1
 ASSI {  880}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HA1 ))
      2.600     0.900     0.900 peak   880 spectrum    1 weight  0.10000E+01 volume  0.37645E-02 ppm1      8.665 ppm2      4.254 CV     1
 ASSI {  881}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      3.100     1.200     1.200 peak   881 spectrum    1 weight  0.10000E+01 volume  0.16627E-02 ppm1      8.665 ppm2      4.844 CV     1
 ASSI {  882}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HA2 ))
      2.700     0.900     0.900 peak   882 spectrum    1 weight  0.10000E+01 volume  0.62651E-02 ppm1      8.665 ppm2      3.869 CV     1
 ASSI {  883}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HB1 ))
      3.000     1.100     1.100 peak   883 spectrum    1 weight  0.10000E+01 volume  0.29903E-02 ppm1      8.665 ppm2      2.890 CV     1
 ASSI {  884}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      2.700     0.900     0.900 peak   884 spectrum    1 weight  0.10000E+01 volume  0.44266E-02 ppm1      8.666 ppm2      2.665 CV     1
 ASSI {  886}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 38   and name HD1%)
      5.100     3.300     0.900 peak   886 spectrum    1 weight  0.10000E+01 volume  0.34245E-03 ppm1      8.484 ppm2      0.871 CV     1
 ASSI {  887}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
      2.900     1.000     1.000 peak   887 spectrum    1 weight  0.10000E+01 volume  0.12402E-02 ppm1      8.480 ppm2      2.174 CV     1
 ASSI {  888}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HG1 ))
      5.100     3.300     0.900 peak   888 spectrum    1 weight  0.10000E+01 volume  0.50299E-03 ppm1      8.481 ppm2      1.943 CV     1
 ASSI {  889}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      4.200     2.300     1.800 peak   889 spectrum    1 weight  0.10000E+01 volume  0.67872E-03 ppm1      8.481 ppm2      1.855 CV     1
 ASSI {  890}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HG2 ))
      4.300     2.300     1.700 peak   890 spectrum    1 weight  0.10000E+01 volume  0.62314E-03 ppm1      8.486 ppm2      1.627 CV     1
 ASSI {  891}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HB1 ))
      3.700     1.700     1.700 peak   891 spectrum    1 weight  0.10000E+01 volume  0.16609E-02 ppm1      8.482 ppm2      3.588 CV     1
 ASSI {  892}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
      2.400     0.700     0.700 peak   892 spectrum    1 weight  0.10000E+01 volume  0.29266E-02 ppm1      8.483 ppm2      3.081 CV     1
 ASSI {  894}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      2.600     0.800     0.800 peak   894 spectrum    1 weight  0.10000E+01 volume  0.25736E-02 ppm1      8.489 ppm2      4.734 CV     1
 ASSI {  896}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      4.000     2.000     2.000 peak   896 spectrum    1 weight  0.10000E+01 volume  0.47187E-03 ppm1      8.483 ppm2      5.255 CV     1
 ASSI {  897}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      3.300     1.400     1.400 peak   897 spectrum    1 weight  0.10000E+01 volume  0.84786E-03 ppm1      8.484 ppm2      4.965 CV     1
 ASSI {  898}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HG  ))
      3.500     1.500     1.500 peak   898 spectrum    1 weight  0.10000E+01 volume  0.30093E-02 ppm1      8.460 ppm2      1.574 CV     1
 ASSI {  899}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HB1 ))
      3.200     1.300     1.300 peak   899 spectrum    1 weight  0.10000E+01 volume  0.36884E-02 ppm1      8.460 ppm2      1.453 CV     1
 ASSI {  900}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
      3.000     1.100     1.100 peak   900 spectrum    1 weight  0.10000E+01 volume  0.12018E-02 ppm1      8.455 ppm2      1.236 CV     1
 ASSI {  901}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 35   and name HD% )
      3.100     1.200     1.200 peak   901 spectrum    1 weight  0.10000E+01 volume  0.16597E-02 ppm1      8.482 ppm2      7.108 CV     1
 ASSI {  902}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      2.800     1.000     1.000 peak   902 spectrum    1 weight  0.10000E+01 volume  0.17818E-02 ppm1      8.484 ppm2      9.543 CV     1
 ASSI {  904}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      2.700     0.900     0.900 peak   904 spectrum    1 weight  0.10000E+01 volume  0.38876E-02 ppm1      8.160 ppm2      7.764 CV     1
 ASSI {  908}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HG  ))
      4.900     2.900     1.100 peak   908 spectrum    1 weight  0.10000E+01 volume  0.58344E-03 ppm1      8.158 ppm2      1.725 CV     1
 ASSI {  916}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HB1 ))
      3.100     1.200     1.200 peak   916 spectrum    1 weight  0.10000E+01 volume  0.51145E-02 ppm1      8.009 ppm2      2.032 CV     1
 ASSI {  918}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HG  ))
      2.600     0.800     0.800 peak   918 spectrum    1 weight  0.10000E+01 volume  0.21973E-02 ppm1      8.008 ppm2      1.818 CV     1
 ASSI {  919}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      2.800     1.000     1.000 peak   919 spectrum    1 weight  0.10000E+01 volume  0.25041E-02 ppm1      7.968 ppm2      2.864 CV     1
 ASSI {  920}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
      4.000     2.000     2.000 peak   920 spectrum    1 weight  0.10000E+01 volume  0.12106E-02 ppm1      7.971 ppm2      2.764 CV     1
 ASSI {  921}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HB1 ))
      2.900     1.000     1.000 peak   921 spectrum    1 weight  0.10000E+01 volume  0.14481E-02 ppm1      8.009 ppm2      2.769 CV     1
 ASSI {  923}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
      3.800     1.800     1.800 peak   923 spectrum    1 weight  0.10000E+01 volume  0.55518E-03 ppm1      7.967 ppm2      3.014 CV     1
 ASSI {  924}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      4.300     2.300     1.700 peak   924 spectrum    1 weight  0.10000E+01 volume  0.27049E-03 ppm1      8.003 ppm2      3.885 CV     1
 ASSI {  926}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 15   and name HG1%)
      4.600     2.700     1.400 peak   926 spectrum    1 weight  0.10000E+01 volume  0.27399E-03 ppm1      7.839 ppm2      1.034 CV     1
 ASSI {  927}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 18   and name HB% )
      2.300     0.700     0.700 peak   927 spectrum    1 weight  0.10000E+01 volume  0.86524E-02 ppm1      7.840 ppm2      1.539 CV     1
 ASSI {  929}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      2.700     0.900     0.900 peak   929 spectrum    1 weight  0.10000E+01 volume  0.34014E-02 ppm1      7.840 ppm2      4.375 CV     1
 ASSI {  930}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      3.800     1.800     1.800 peak   930 spectrum    1 weight  0.10000E+01 volume  0.56330E-03 ppm1      7.842 ppm2      4.203 CV     1
 ASSI {  931}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
      3.500     1.500     1.500 peak   931 spectrum    1 weight  0.10000E+01 volume  0.12782E-02 ppm1      7.840 ppm2      4.133 CV     1
 ASSI {  934}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      3.100     1.200     1.200 peak   934 spectrum    1 weight  0.10000E+01 volume  0.21452E-02 ppm1      7.840 ppm2      4.562 CV     1
 ASSI {  938}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      3.500     1.500     1.500 peak   938 spectrum    1 weight  0.10000E+01 volume  0.10552E-02 ppm1      8.011 ppm2      4.486 CV     1
 ASSI {  941}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 40   and name HD% )
      3.700     1.800     1.800 peak   941 spectrum    1 weight  0.10000E+01 volume  0.88704E-03 ppm1      7.969 ppm2      6.969 CV     1
 ASSI {  943}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
      4.400     2.400     1.600 peak   943 spectrum    1 weight  0.10000E+01 volume  0.57820E-03 ppm1      7.968 ppm2      8.918 CV     1
 ASSI {  944}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      4.400     2.400     1.600 peak   944 spectrum    1 weight  0.10000E+01 volume  0.67372E-03 ppm1      7.968 ppm2      8.064 CV     1
 ASSI {  946}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      3.300     1.300     1.300 peak   946 spectrum    1 weight  0.10000E+01 volume  0.17725E-02 ppm1      8.459 ppm2      8.605 CV     1
 ASSI {  952}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      4.000     2.000     2.000 peak   952 spectrum    1 weight  0.10000E+01 volume  0.58699E-03 ppm1      8.766 ppm2      3.875 CV     1
 ASSI {  959}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      2.900     1.000     1.000 peak   959 spectrum    1 weight  0.10000E+01 volume  0.38793E-02 ppm1      8.606 ppm2      2.880 CV     1
 ASSI {  960}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      2.700     0.900     0.900 peak   960 spectrum    1 weight  0.10000E+01 volume  0.37404E-02 ppm1      8.605 ppm2      2.758 CV     1
 ASSI {  961}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      3.400     1.400     1.400 peak   961 spectrum    1 weight  0.10000E+01 volume  0.92758E-03 ppm1      8.460 ppm2      2.881 CV     1
 ASSI {  963}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 50   and name HB% )
      4.300     2.300     1.700 peak   963 spectrum    1 weight  0.10000E+01 volume  0.79949E-03 ppm1      8.764 ppm2      1.642 CV     1
 ASSI {  964}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 49   and name HB% )
      2.300     0.600     0.600 peak   964 spectrum    1 weight  0.10000E+01 volume  0.80937E-02 ppm1      8.763 ppm2      1.521 CV     1
 ASSI {  969}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 26   and name HD2%)
      3.400     1.400     1.400 peak   969 spectrum    1 weight  0.10000E+01 volume  0.70213E-03 ppm1      8.461 ppm2      0.801 CV     1
 ASSI {  974}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 82   and name HN  ))
      2.300     0.600     0.600 peak   974 spectrum    1 weight  0.10000E+01 volume  0.63389E-02 ppm1      7.582 ppm2      8.276 CV     1
 ASSI {  983}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      3.000     1.100     1.100 peak   983 spectrum    1 weight  0.10000E+01 volume  0.15217E-02 ppm1      7.583 ppm2      3.741 CV     1
 ASSI {  985}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      4.000     2.000     2.000 peak   985 spectrum    1 weight  0.10000E+01 volume  0.52627E-03 ppm1      7.583 ppm2      4.902 CV     1
 ASSI {  986}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      2.600     0.800     0.800 peak   986 spectrum    1 weight  0.10000E+01 volume  0.48231E-02 ppm1      7.582 ppm2      4.457 CV     1
 ASSI {  987}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
      3.800     1.800     1.800 peak   987 spectrum    1 weight  0.10000E+01 volume  0.43016E-03 ppm1      7.763 ppm2      3.306 CV     1
 ASSI {  990}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HB1 ))
      4.200     2.200     1.800 peak   990 spectrum    1 weight  0.10000E+01 volume  0.67686E-03 ppm1      7.827 ppm2      2.276 CV     1
 ASSI {  991}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HB2 ))
      3.600     1.600     1.600 peak   991 spectrum    1 weight  0.10000E+01 volume  0.68738E-03 ppm1      7.824 ppm2      2.128 CV     1
 ASSI { 1000}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 82   and name HB2 ))
      4.600     2.600     1.400 peak  1000 spectrum    1 weight  0.10000E+01 volume  0.52461E-03 ppm1      7.581 ppm2      1.541 CV     1
 ASSI { 1001}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 82   and name HG  ))
      4.300     2.300     1.700 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.52518E-03 ppm1      7.582 ppm2      1.831 CV     1
 ASSI { 1002}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 82   and name HB1 ))
      4.700     2.800     1.300 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.53408E-03 ppm1      7.581 ppm2      2.013 CV     1
 ASSI { 1003}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 83   and name HN  ))
      3.800     1.800     1.800 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.81784E-03 ppm1      7.582 ppm2      7.942 CV     1
 ASSI { 1004}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HN  ))
      4.400     2.400     1.600 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.62885E-03 ppm1      9.429 ppm2      8.146 CV     1
 ASSI { 1005}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 79   and name HD22))
      2.900     1.100     1.100 peak  1005 spectrum    1 weight  0.10000E+01 volume  0.10428E-02 ppm1      9.427 ppm2      7.668 CV     1
 ASSI { 1007}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      4.700     2.800     1.300 peak  1007 spectrum    1 weight  0.10000E+01 volume  0.28197E-03 ppm1      9.428 ppm2      4.908 CV     1
 ASSI { 1011}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HG  ))
      2.400     0.700     0.700 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.52947E-02 ppm1      9.429 ppm2      1.577 CV     1
 OR { 1011}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HB1 ))
 ASSI { 1012}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HB2 ))
      3.300     1.400     1.400 peak  1012 spectrum    1 weight  0.10000E+01 volume  0.28085E-02 ppm1      9.428 ppm2      1.474 CV     1
 ASSI { 1016}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
      3.900     1.900     1.900 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.82028E-03 ppm1      9.429 ppm2      0.790 CV     1
 ASSI { 1017}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 5    and name HD2%)
      3.400     1.500     1.500 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.13924E-02 ppm1      9.429 ppm2      0.631 CV     1
 ASSI { 1022}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HG  ))
      2.500     0.800     0.800 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.54408E-02 ppm1      8.146 ppm2      1.706 CV     1
 ASSI { 1023}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
      3.000     1.200     1.200 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.56434E-02 ppm1      8.146 ppm2      1.606 CV     1
 ASSI { 1024}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HB2 ))
      2.600     0.800     0.800 peak  1024 spectrum    1 weight  0.10000E+01 volume  0.28854E-02 ppm1      8.146 ppm2      1.475 CV     1
 ASSI { 1025}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 3    and name HG2%)
      4.000     2.000     2.000 peak  1025 spectrum    1 weight  0.10000E+01 volume  0.28502E-02 ppm1      8.146 ppm2      1.377 CV     1
 ASSI { 1031}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      4.900     3.000     1.100 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.30247E-03 ppm1      8.120 ppm2      8.471 CV     1
 ASSI { 1032}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      3.100     1.200     1.200 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.13459E-02 ppm1      8.119 ppm2      4.669 CV     1
 ASSI { 1033}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      2.300     0.700     0.700 peak  1033 spectrum    1 weight  0.10000E+01 volume  0.74645E-02 ppm1      8.118 ppm2      4.841 CV     1
 ASSI { 1035}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
      4.300     2.300     1.700 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.45292E-03 ppm1      8.120 ppm2      2.340 CV     1
 ASSI { 1048}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 85   and name HN  ))
      3.600     1.700     1.700 peak  1048 spectrum    1 weight  0.10000E+01 volume  0.15946E-02 ppm1      7.975 ppm2      7.805 CV     1
 ASSI { 1051}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 64   and name HB  ))
      4.800     2.900     1.200 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.36917E-03 ppm1      8.030 ppm2      2.184 CV     1
 ASSI {    2}
   (( segid "    " and resid 42   and name H28A))
   (  segid "    " and resid 42   and name H31%)
      2.900     1.100     1.100 peak     2 spectrum    1 weight  0.10000E+01 volume  0.48177E-02 ppm1      3.473 ppm2      1.069 CV     1
 ASSI {    4}
   (( segid "    " and resid 42   and name H28A))
   (  segid "    " and resid 42   and name H30%)
      3.400     1.400     1.400 peak     4 spectrum    1 weight  0.10000E+01 volume  0.75447E-02 ppm1      3.475 ppm2      0.930 CV     1
 ASSI {    5}
   (( segid "    " and resid 42   and name H28B))
   (  segid "    " and resid 42   and name H31%)
      3.800     1.900     1.900 peak     5 spectrum    1 weight  0.10000E+01 volume  0.31726E-02 ppm1      3.905 ppm2      1.068 CV     1
 ASSI {    7}
   (( segid "    " and resid 42   and name H28B))
   (  segid "    " and resid 42   and name H30%)
      2.600     0.900     0.900 peak     7 spectrum    1 weight  0.10000E+01 volume  0.69251E-02 ppm1      3.911 ppm2      0.930 CV     1
 ASSI {    8}
   (( segid "    " and resid 42   and name H32A))
   (  segid "    " and resid 42   and name H31%)
      3.000     1.100     1.100 peak     8 spectrum    1 weight  0.10000E+01 volume  0.55453E-02 ppm1      4.111 ppm2      1.069 CV     1
 ASSI {   10}
   (( segid "    " and resid 42   and name H32A))
   (  segid "    " and resid 42   and name H30%)
      3.400     1.500     1.500 peak    10 spectrum    1 weight  0.10000E+01 volume  0.24617E-02 ppm1      4.109 ppm2      0.930 CV     1
 ASSI {   11}
   (( segid "    " and resid 42   and name H36A))
   (  segid "    " and resid 42   and name H31%)
      4.300     2.300     1.700 peak    11 spectrum    1 weight  0.10000E+01 volume  0.12805E-02 ppm1      8.138 ppm2      1.067 CV     1
 ASSI {   12}
   (( segid "    " and resid 42   and name H36A))
   (  segid "    " and resid 42   and name H30%)
      3.700     1.700     1.700 peak    12 spectrum    1 weight  0.10000E+01 volume  0.21503E-02 ppm1      8.144 ppm2      0.929 CV     1
 ASSI {   15}
   (( segid "    " and resid 42   and name H32A))
   (( segid "    " and resid 42   and name H36A))
      3.100     1.200     1.200 peak    15 spectrum    1 weight  0.10000E+01 volume  0.32470E-02 ppm1      4.111 ppm2      8.139 CV     1
 ASSI {   16}
   (( segid "    " and resid 42   and name H37B))
   (( segid "    " and resid 42   and name H36A))
      3.100     1.200     1.200 peak    16 spectrum    1 weight  0.10000E+01 volume  0.37924E-02 ppm1      3.592 ppm2      8.140 CV     1
 OR {   16}
   (( segid "    " and resid 42   and name H37A))
   (( segid "    " and resid 42   and name H36A))
 ASSI {   17}
   (( segid "    " and resid 42   and name H42A))
   (( segid "    " and resid 42   and name H41A))
      3.500     1.500     1.500 peak    17 spectrum    1 weight  0.10000E+01 volume  0.17477E-02 ppm1      3.464 ppm2      8.330 CV     1
 OR {   17}
   (( segid "    " and resid 42   and name H42B))
   (( segid "    " and resid 42   and name H41A))
 ASSI {   18}
   (( segid "    " and resid 42   and name H38B))
   (( segid "    " and resid 42   and name H36A))
      3.800     1.800     1.800 peak    18 spectrum    1 weight  0.10000E+01 volume  0.12362E-02 ppm1      2.567 ppm2      8.139 CV     1
 OR {   18}
   (( segid "    " and resid 42   and name H38A))
   (( segid "    " and resid 42   and name H36A))
 ASSI {   19}
   (( segid "    " and resid 42   and name H38B))
   (( segid "    " and resid 42   and name H41A))
      3.300     1.400     1.400 peak    19 spectrum    1 weight  0.10000E+01 volume  0.12810E-02 ppm1      2.582 ppm2      8.324 CV     1
 OR {   19}
   (( segid "    " and resid 42   and name H38A))
   (( segid "    " and resid 42   and name H41A))
 ASSI {   24}
   (( segid "    " and resid 42   and name H28B))
   (( segid "    " and resid 42   and name H32A))
      3.600     1.700     1.700 peak    24 spectrum    1 weight  0.10000E+01 volume  0.16694E-02 ppm1      3.904 ppm2      4.109 CV     1
 ASSI {   25}
   (( segid "    " and resid 42   and name H28A))
   (( segid "    " and resid 42   and name H32A))
      3.300     1.400     1.400 peak    25 spectrum    1 weight  0.10000E+01 volume  0.22268E-02 ppm1      3.480 ppm2      4.110 CV     1
 ASSI {   26}
   (( segid "    " and resid 42   and name H28A))
   (( segid "    " and resid 42   and name H28B))
      1.800     0.400     0.400 peak    26 spectrum    1 weight  0.10000E+01 volume  0.12851E-01 ppm1      3.476 ppm2      3.900 CV     1
 ASSI {   40}
   (( segid "    " and resid 42   and name H43A))
   (( segid "    " and resid 42   and name H43B))
      1.200     0.200     1.000 peak    40 spectrum    1 weight  0.10000E+01 volume  0.14122E+00 ppm1      3.140 ppm2      3.138 CV     1
 OR {   40}
   (( segid "    " and resid 42   and name H43B))
   (( segid "    " and resid 42   and name H43A))
 ASSI {   43}
   (( segid "    " and resid 42   and name H43A))
   (( segid "    " and resid 42   and name H42A))
      3.200     1.300     1.300 peak    43 spectrum    1 weight  0.10000E+01 volume  0.31928E-02 ppm1      3.137 ppm2      3.459 CV     1
 OR {   43}
   (( segid "    " and resid 42   and name H43B))
   (( segid "    " and resid 42   and name H42B))
 OR {   43}
   (( segid "    " and resid 42   and name H43A))
   (( segid "    " and resid 42   and name H42B))
 OR {   43}
   (( segid "    " and resid 42   and name H43B))
   (( segid "    " and resid 42   and name H42A))
 ASSI {   44}
   (( segid "    " and resid 42   and name H37B))
   (  segid "    " and resid 42   and name H31%)
      3.500     1.600     1.600 peak    44 spectrum    1 weight  0.10000E+01 volume  0.41727E-03 ppm1      3.596 ppm2      1.065 CV     1
 OR {   44}
   (( segid "    " and resid 42   and name H37A))
   (  segid "    " and resid 42   and name H31%)
 ASSI {   45}
   (( segid "    " and resid 42   and name H2A ))
   (( segid "    " and resid 42   and name H2B ))
      2.500     2.500     3.500 peak    45 spectrum    1 weight  0.10000E+01 volume  0.37150E-02 ppm1      3.265 ppm2      3.263 CV     1
 OR {   45}
   (( segid "    " and resid 42   and name H2B ))
   (( segid "    " and resid 42   and name H2A ))
assign (resid      3 and name C  ) (resid      4 and name N )
       (resid      4 and name CA ) (resid      4 and name C)     6.7      1.0

assign (resid      4 and name C  ) (resid      5 and name N )
       (resid      5 and name CA ) (resid      5 and name C)     7.2      1.1

assign (resid      5 and name C  ) (resid      6 and name N )
       (resid      6 and name CA ) (resid      6 and name C)     9.2      1.2

assign (resid      6 and name C  ) (resid      7 and name N )
       (resid      7 and name CA ) (resid      7 and name C)     2.8      0.5

assign (resid      8 and name C  ) (resid      9 and name N )
       (resid      9 and name CA ) (resid      9 and name C)     5.1      0.8

assign (resid     10 and name C  ) (resid     11 and name N )
       (resid     11 and name CA ) (resid     11 and name C)     2.8      0.5

assign (resid     11 and name C  ) (resid     12 and name N )
       (resid     12 and name CA ) (resid     12 and name C)     3.4      0.6

assign (resid     12 and name C  ) (resid     13 and name N )
       (resid     13 and name CA ) (resid     13 and name C)     4.9      0.8

assign (resid     13 and name C  ) (resid     14 and name N )
       (resid     14 and name CA ) (resid     14 and name C)     4.7      0.8

assign (resid     16 and name C  ) (resid     17 and name N )
       (resid     17 and name CA ) (resid     17 and name C)     6.7      1.0

assign (resid     17 and name C  ) (resid     18 and name N )
       (resid     18 and name CA ) (resid     18 and name C)     6.0      0.9

assign (resid     20 and name C  ) (resid     21 and name N )
       (resid     21 and name CA ) (resid     21 and name C)     7.8      1.1

assign (resid     21 and name C  ) (resid     22 and name N )
       (resid     22 and name CA ) (resid     22 and name C)     6.8      1.0

assign (resid     23 and name C  ) (resid     24 and name N )
       (resid     24 and name CA ) (resid     24 and name C)     6.4      1.0

assign (resid     24 and name C  ) (resid     25 and name N )
       (resid     25 and name CA ) (resid     25 and name C)     6.8      1.0

assign (resid     25 and name C  ) (resid     26 and name N )
       (resid     26 and name CA ) (resid     26 and name C)     7.9      1.1

assign (resid     26 and name C  ) (resid     27 and name N )
       (resid     27 and name CA ) (resid     27 and name C)     5.2      0.8

assign (resid     28 and name C  ) (resid     29 and name N )
       (resid     29 and name CA ) (resid     29 and name C)     6.9      1.0

assign (resid     29 and name C  ) (resid     30 and name N )
       (resid     30 and name CA ) (resid     30 and name C)     6.8      1.0

assign (resid     30 and name C  ) (resid     31 and name N )
       (resid     31 and name CA ) (resid     31 and name C)     2.4      0.4

assign (resid     31 and name C  ) (resid     32 and name N )
       (resid     32 and name CA ) (resid     32 and name C)     8.6      1.2

assign (resid     32 and name C  ) (resid     33 and name N )
       (resid     33 and name CA ) (resid     33 and name C)     6.9      1.0

assign (resid     33 and name C  ) (resid     34 and name N )
       (resid     34 and name CA ) (resid     34 and name C)     6.2      1.0

assign (resid     35 and name C  ) (resid     36 and name N )
       (resid     36 and name CA ) (resid     36 and name C)     3.1      0.5

assign (resid     36 and name C  ) (resid     37 and name N )
       (resid     37 and name CA ) (resid     37 and name C)     7.4      1.1

assign (resid     37 and name C  ) (resid     38 and name N )
       (resid     38 and name CA ) (resid     38 and name C)     8.8      1.2

assign (resid     40 and name C  ) (resid     41 and name N )
       (resid     41 and name CA ) (resid     41 and name C)     7.3      1.1

assign (resid     41 and name C  ) (resid     42 and name N )
       (resid     42 and name CA ) (resid     42 and name C)     2.5      0.4

assign (resid     42 and name C  ) (resid     43 and name N )
       (resid     43 and name CA ) (resid     43 and name C)     4.9      0.8

assign (resid     43 and name C  ) (resid     44 and name N )
       (resid     44 and name CA ) (resid     44 and name C)     4.4      0.7

assign (resid     44 and name C  ) (resid     45 and name N )
       (resid     45 and name CA ) (resid     45 and name C)     4.4      0.7

assign (resid     47 and name C  ) (resid     48 and name N )
       (resid     48 and name CA ) (resid     48 and name C)     4.2      0.7

assign (resid     48 and name C  ) (resid     49 and name N )
       (resid     49 and name CA ) (resid     49 and name C)     3.7      0.6

assign (resid     50 and name C  ) (resid     51 and name N )
       (resid     51 and name CA ) (resid     51 and name C)     4.5      0.7

assign (resid     52 and name C  ) (resid     53 and name N )
       (resid     53 and name CA ) (resid     53 and name C)     3.6      0.6

assign (resid     53 and name C  ) (resid     54 and name N )
       (resid     54 and name CA ) (resid     54 and name C)     4.3      0.7

assign (resid     54 and name C  ) (resid     55 and name N )
       (resid     55 and name CA ) (resid     55 and name C)     4.8      0.8

assign (resid     55 and name C  ) (resid     56 and name N )
       (resid     56 and name CA ) (resid     56 and name C)     8.6      1.2

assign (resid     57 and name C  ) (resid     58 and name N )
       (resid     58 and name CA ) (resid     58 and name C)     9.1      1.2

assign (resid     58 and name C  ) (resid     59 and name N )
       (resid     59 and name CA ) (resid     59 and name C)     8.1      1.1

assign (resid     59 and name C  ) (resid     60 and name N )
       (resid     60 and name CA ) (resid     60 and name C)     8.9      1.2

assign (resid     61 and name C  ) (resid     62 and name N )
       (resid     62 and name CA ) (resid     62 and name C)     3.2      0.6

assign (resid     62 and name C  ) (resid     63 and name N )
       (resid     63 and name CA ) (resid     63 and name C)     6.0      0.9

assign (resid     63 and name C  ) (resid     64 and name N )
       (resid     64 and name CA ) (resid     64 and name C)     6.0      0.9

assign (resid     64 and name C  ) (resid     65 and name N )
       (resid     65 and name CA ) (resid     65 and name C)     3.6      0.6

assign (resid     66 and name C  ) (resid     67 and name N )
       (resid     67 and name CA ) (resid     67 and name C)     9.1      1.2

assign (resid     67 and name C  ) (resid     68 and name N )
       (resid     68 and name CA ) (resid     68 and name C)     6.6      1.0

assign (resid     68 and name C  ) (resid     69 and name N )
       (resid     69 and name CA ) (resid     69 and name C)     8.0      1.1

assign (resid     69 and name C  ) (resid     70 and name N )
       (resid     70 and name CA ) (resid     70 and name C)     8.6      1.2

assign (resid     71 and name C  ) (resid     72 and name N )
       (resid     72 and name CA ) (resid     72 and name C)     2.5      0.4

assign (resid     72 and name C  ) (resid     73 and name N )
       (resid     73 and name CA ) (resid     73 and name C)     4.4      0.7

assign (resid     73 and name C  ) (resid     74 and name N )
       (resid     74 and name CA ) (resid     74 and name C)     5.5      0.9

assign (resid     74 and name C  ) (resid     75 and name N )
       (resid     75 and name CA ) (resid     75 and name C)     3.3      0.6

assign (resid     76 and name C  ) (resid     77 and name N )
       (resid     77 and name CA ) (resid     77 and name C)     4.4      0.7

assign (resid     80 and name C  ) (resid     81 and name N )
       (resid     81 and name CA ) (resid     81 and name C)     5.7      0.9

assign (resid     82 and name C  ) (resid     83 and name N )
       (resid     83 and name CA ) (resid     83 and name C)     4.3      0.7

assign (resid     83 and name C  ) (resid     84 and name N )
       (resid     84 and name CA ) (resid     84 and name C)     7.0      1.0

assign (resid     84 and name C  ) (resid     85 and name N )
       (resid     85 and name CA ) (resid     85 and name C)     6.4      1.0

assign (resid     85 and name C  ) (resid     86 and name N )
       (resid     86 and name CA ) (resid     86 and name C)     6.4      1.0

assign (resid     85 and name C  ) (resid     86 and name N )
       (resid     86 and name CA ) (resid     86 and name C)     6.4      1.0


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

   1 M 9999.000 9999.000    0.000    0.000    0.000  0 None
   2 A -104.000  133.000   27.000   25.000   65.030  8 New
   3 T -116.000  128.000   22.000    9.000   27.900  9 Good
   4 L -123.000  144.000   31.000   25.000   15.100  5 New
   5 L  -81.000  144.000   24.000    7.000   14.120  9 Good
   6 T  -99.000  169.000   20.000    9.000   13.100 10 Good
   7 T  -61.000  -35.000    3.000    5.000   11.350 10 Good
   8 D  -62.000  -40.000    5.000    6.000    8.850 10 Good
   9 D  -67.000  -39.000    4.000   11.000    9.040 10 Good
  10 L  -66.000  -44.000    6.000    5.000    8.690 10 Good
  11 R  -59.000  -45.000    4.000    8.000    8.510 10 Good
  12 R  -57.000  -43.000    1.000    4.000    9.870 10 Good
  13 A  -60.000  -46.000    4.000    5.000   10.010 10 Good
  14 L  -65.000  -37.000    4.000    8.000    9.620 10 Good
  15 V  -66.000  -41.000    6.000   12.000   10.180 10 Good
  16 E  -67.000  -32.000    6.000    8.000   11.270 10 Good
  17 S  -73.000  -33.000   15.000   15.000   11.600 10 Good
  18 A  -92.000  146.000   23.000   32.000   25.050  5 New
  19 G  171.000   12.000   87.000  101.000   25.530 10 New
  20 E -108.000  140.000   39.000   23.000   24.220  7 New
  21 T -139.000  139.000   12.000   30.000    7.360  5 New
  22 D -103.000  141.000   39.000   29.000   23.850  6 New
  23 G  131.000   -4.000   64.000   83.000   26.680 10 New
  24 T -125.000  153.000   25.000   24.000   25.280  6 New
  25 D -100.000  145.000   33.000   35.000    9.810  5 New
  26 L  -76.000  134.000    2.000   30.000   10.330  5 New
  27 S  -93.000  138.000   43.000   28.000   18.020  6 New
  28 G -177.000 -131.000   87.000  102.000   20.820 10 New
  29 D -108.000  148.000   39.000   29.000   18.900  7 New
  30 F  -90.000  146.000   19.000   23.000   20.340  7 New
  31 L  -64.000  -27.000   11.000   14.000   27.320  9 Good
  32 D  -94.000  -15.000   22.000   27.000   22.340  8 Good
  33 L  -89.000  148.000   30.000   27.000   29.690  7 New
  34 R  -87.000  153.000   28.000   15.000   31.690 10 Good
  35 F  -63.000  -32.000    9.000    9.000   20.240 10 Good
  36 E  -65.000  -44.000    6.000   10.000   11.210 10 Good
  37 D  -69.000  -29.000    9.000   10.000   12.520 10 Good
  38 I -100.000    4.000   15.000   14.000   22.780 10 Good
  39 G   83.000   14.000   14.000   18.000   23.230  9 New
  40 Y -111.000  132.000   24.000   16.000   19.960  8 New
  41 D  -92.000  139.000   11.000   28.000   20.480  7 New
  42 S  -82.000  160.000   32.000    8.000   21.770  8 New
  43 L  -65.000  -38.000    5.000   11.000   15.000 10 Good
  44 A  -66.000  -39.000    5.000    6.000    7.410 10 Good
  45 L  -62.000  -44.000    7.000    6.000    8.600 10 Good
  46 M  -64.000  -41.000    5.000    5.000    6.930 10 Good
  47 E  -68.000  -39.000    6.000    8.000    7.340 10 Good
  48 T  -69.000  -40.000    9.000    7.000    9.600 10 Good
  49 A  -61.000  -40.000    4.000    6.000   10.510 10 Good
  50 A  -61.000  -42.000    5.000    9.000    7.040 10 Good
  51 R  -66.000  -44.000    6.000    5.000    6.020 10 Good
  52 L  -63.000  -42.000    4.000    4.000    6.810 10 Good
  53 E  -66.000  -42.000    5.000    8.000    7.170 10 Good
  54 S  -64.000  -45.000    7.000    7.000    7.150 10 Good
  55 R  -71.000  -33.000    8.000    9.000   10.090 10 Good
  56 Y  -97.000    3.000   10.000   13.000   26.980 10 Good
  57 G   66.000   34.000    9.000   19.000   37.970  6 New
  58 V -131.000  155.000   18.000    8.000   35.250 10 Good
  59 S -103.000  132.000   20.000   14.000   30.470  8 New
  60 I -104.000  131.000   25.000   17.000   35.930 10 Good
  61 P  -60.000  134.000    7.000    7.000   34.480  9 Good
  62 D  -57.000  -31.000    9.000   16.000   19.580  9 Good
  63 D  -66.000  -34.000    6.000   10.000   13.430  9 Good
  64 V  -67.000  -41.000    8.000   10.000   14.970 10 Good
  65 A  -67.000  -25.000    5.000   12.000   21.040  9 Good
  66 G  -76.000  -20.000   11.000   23.000   23.830  5 New
  67 R  -91.000  161.000   21.000   16.000   25.600  6 New
  68 V -106.000  146.000   31.000   20.000   23.950  8 New
  69 D -105.000  158.000   24.000   16.000   36.710  7 New
  70 T -106.000  158.000   26.000   10.000   48.430  8 New
  71 P  -61.000  -32.000    9.000   10.000   45.040  8 Good
  72 R  -60.000  -45.000    5.000    8.000   24.010  9 Good
  73 E  -67.000  -37.000    8.000    5.000   10.920 10 Good
  74 L  -64.000  -41.000    5.000    2.000   10.820 10 Good
  75 L  -62.000  -42.000    5.000    7.000   11.190 10 Good
  76 D  -64.000  -38.000    5.000    7.000    7.930 10 Good
  77 L  -65.000  -40.000    6.000    7.000    7.690 10 Good
  78 I  -63.000  -42.000    5.000    6.000   10.940 10 Good
  79 N  -61.000  -36.000    6.000    8.000   27.780 10 Good
  80 G  -69.000  -41.000    8.000   10.000   34.900 10 Good
  81 A  -64.000  -43.000   10.000    7.000   28.000 10 Good
  82 L  -65.000  -38.000    9.000   16.000   10.130 10 Good
  83 A  -74.000  -24.000   15.000   21.000    8.650 10 Good
  84 E  -89.000  -12.000   18.000   19.000    7.970  5 New
  85 A  -85.000  126.000   37.000   14.000   21.090  6 New
  86 A 9999.000 9999.000    0.000    0.000    0.000  0 None
 ASSI {   11}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 52   and name HA  ))
      3.000     1.100     1.100 peak    11 spectrum    1 weight  0.10000E+01 volume  0.88692E-03 ppm1      0.794 ppm2      4.306 CV     1
 OR {   11}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 74   and name HA  ))
 ASSI {   27}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 33   and name HN  ))
      3.700     1.700     1.700 peak    27 spectrum    1 weight  0.10000E+01 volume  0.10852E-02 ppm1      0.868 ppm2      7.211 CV     1
 OR {   27}
   (  segid "    " and resid 38   and name HD1%)
   (  segid "    " and resid 30   and name HE% )
 ASSI {   43}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 30   and name HB1 ))
      4.200     2.200     1.800 peak    43 spectrum    1 weight  0.10000E+01 volume  0.80097E-03 ppm1      0.868 ppm2      3.301 CV     1
 OR {   43}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 31   and name HA  ))
 ASSI {   57}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 82   and name HD1%)
      2.500     0.800     0.800 peak    57 spectrum    1 weight  0.10000E+01 volume  0.56310E-02 ppm1      0.795 ppm2      0.990 CV     1
 OR {   57}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 74   and name HG  ))
 OR {   57}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 58   and name HG2%)
 ASSI {   58}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 58   and name HG1%)
      2.000     2.000     4.000 peak    58 spectrum    1 weight  0.10000E+01 volume  0.10651E-01 ppm1      0.794 ppm2      0.905 CV     1
 OR {   58}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 4    and name HD1%)
 ASSI {   62}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 10   and name HD2%)
      2.800     2.800     3.200 peak    62 spectrum    1 weight  0.10000E+01 volume  0.14710E-02 ppm1      0.793 ppm2      1.139 CV     1
 OR {   62}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 48   and name HG2%)
 ASSI {   83}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 52   and name HG  ))
      3.000     1.100     1.100 peak    83 spectrum    1 weight  0.10000E+01 volume  0.82316E-03 ppm1      0.795 ppm2      2.040 CV     1
 OR {   83}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 77   and name HB1 ))
 OR {   83}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 82   and name HB1 ))
 ASSI {   94}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
      3.300     1.400     1.400 peak    94 spectrum    1 weight  0.10000E+01 volume  0.16513E-02 ppm1      4.271 ppm2      8.463 CV     1
 OR {   94}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
 ASSI {  117}
   (( segid "    " and resid 21   and name HB  ))
   (( segid "    " and resid 21   and name HA  ))
      2.400     0.700     0.700 peak   117 spectrum    1 weight  0.10000E+01 volume  0.80289E-02 ppm1      4.368 ppm2      4.500 CV     1
 OR {  117}
   (( segid "    " and resid 21   and name HB  ))
   (( segid "    " and resid 20   and name HA  ))
 ASSI {  118}
   (( segid "    " and resid 21   and name HB  ))
   (( segid "    " and resid 22   and name HN  ))
      3.100     1.200     1.200 peak   118 spectrum    1 weight  0.10000E+01 volume  0.39718E-02 ppm1      4.368 ppm2      8.493 CV     1
 OR {  118}
   (( segid "    " and resid 21   and name HB  ))
   (( segid "    " and resid 23   and name HN  ))
 ASSI {  127}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 62   and name HB1 ))
      1.600     0.300     0.600 peak   127 spectrum    1 weight  0.10000E+01 volume  0.28788E-01 ppm1      2.754 ppm2      2.867 CV     1
 OR {  127}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HB1 ))
 ASSI {  130}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 24   and name HA  ))
      4.900     3.000     1.100 peak   130 spectrum    1 weight  0.10000E+01 volume  0.42699E-03 ppm1      2.755 ppm2      4.333 CV     1
 OR {  130}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 26   and name HA  ))
 ASSI {  131}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 26   and name HA  ))
      4.800     2.900     1.200 peak   131 spectrum    1 weight  0.10000E+01 volume  0.38781E-03 ppm1      2.873 ppm2      4.337 CV     1
 OR {  131}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 24   and name HA  ))
 ASSI {  132}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 23   and name HN  ))
      2.700     0.900     0.900 peak   132 spectrum    1 weight  0.10000E+01 volume  0.66711E-02 ppm1      2.837 ppm2      8.493 CV     1
 OR {  132}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 22   and name HN  ))
 OR {  132}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HN  ))
 OR {  132}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
 ASSI {  137}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 46   and name HA  ))
      2.900     1.000     1.000 peak   137 spectrum    1 weight  0.10000E+01 volume  0.39702E-02 ppm1      2.296 ppm2      4.261 CV     1
 OR {  137}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 43   and name HA  ))
 OR {  137}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 42   and name HA  ))
 ASSI {  139}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 16   and name HN  ))
      2.200     0.600     0.600 peak   139 spectrum    1 weight  0.10000E+01 volume  0.52299E-02 ppm1      2.283 ppm2      8.228 CV     1
 OR {  139}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 46   and name HN  ))
 ASSI {  147}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 34   and name HB2 ))
      4.100     2.100     1.900 peak   147 spectrum    1 weight  0.10000E+01 volume  0.43068E-03 ppm1      3.096 ppm2      1.850 CV     1
 OR {  147}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 38   and name HG11))
 ASSI {  148}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 34   and name HB2 ))
      3.300     1.400     1.400 peak   148 spectrum    1 weight  0.10000E+01 volume  0.85760E-03 ppm1      2.994 ppm2      1.844 CV     1
 OR {  148}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 38   and name HG11))
 ASSI {  149}
   (( segid "    " and resid 32   and name HB1 ))
   (  segid "    " and resid 33   and name HD2%)
      4.100     2.100     1.900 peak   149 spectrum    1 weight  0.10000E+01 volume  0.43280E-03 ppm1      3.038 ppm2      1.063 CV     1
 OR {  149}
   (( segid "    " and resid 9    and name HB1 ))
   (  segid "    " and resid 52   and name HD2%)
 OR {  149}
   (( segid "    " and resid 9    and name HB1 ))
   (  segid "    " and resid 10   and name HD1%)
 ASSI {  154}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 38   and name HN  ))
      4.000     2.000     2.000 peak   154 spectrum    1 weight  0.10000E+01 volume  0.82990E-03 ppm1      2.995 ppm2      7.717 CV     1
 OR {  154}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI {  155}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 38   and name HN  ))
      3.400     1.400     1.400 peak   155 spectrum    1 weight  0.10000E+01 volume  0.76037E-03 ppm1      3.082 ppm2      7.712 CV     1
 OR {  155}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI {  158}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 34   and name HN  ))
      3.900     1.900     1.900 peak   158 spectrum    1 weight  0.10000E+01 volume  0.47469E-03 ppm1      2.995 ppm2      8.460 CV     1
 OR {  158}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 35   and name HN  ))
 ASSI {  159}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 34   and name HN  ))
      3.900     1.900     1.900 peak   159 spectrum    1 weight  0.10000E+01 volume  0.40921E-03 ppm1      3.088 ppm2      8.455 CV     1
 OR {  159}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 35   and name HN  ))
 ASSI {  161}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 48   and name HG2%)
      3.700     1.700     1.700 peak   161 spectrum    1 weight  0.10000E+01 volume  0.11330E-02 ppm1      0.204 ppm2      1.107 CV     1
 OR {  161}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 68   and name HG1%)
 ASSI {  162}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 74   and name HG  ))
      3.300     1.400     1.400 peak   162 spectrum    1 weight  0.10000E+01 volume  0.12324E-02 ppm1      0.203 ppm2      0.972 CV     1
 OR {  162}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 77   and name HD1%)
 ASSI {  164}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 45   and name HB2 ))
      2.700     0.900     0.900 peak   164 spectrum    1 weight  0.10000E+01 volume  0.25647E-02 ppm1      0.204 ppm2      1.516 CV     1
 OR {  164}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 49   and name HB% )
 ASSI {  167}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 48   and name HB  ))
      3.800     1.800     1.800 peak   167 spectrum    1 weight  0.10000E+01 volume  0.49375E-03 ppm1      0.205 ppm2      4.387 CV     1
 OR {  167}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 14   and name HA  ))
 OR {  167}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 35   and name HA  ))
 ASSI {  168}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 46   and name HA  ))
      4.400     2.500     1.600 peak   168 spectrum    1 weight  0.10000E+01 volume  0.85478E-03 ppm1      0.205 ppm2      4.266 CV     1
 OR {  168}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 42   and name HA  ))
 ASSI {  182}
   (( segid "    " and resid 73   and name HG1 ))
   (( segid "    " and resid 73   and name HN  ))
      3.400     1.400     1.400 peak   182 spectrum    1 weight  0.10000E+01 volume  0.14856E-02 ppm1      2.640 ppm2      7.834 CV     1
 OR {  182}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 17   and name HN  ))
 ASSI {  187}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 16   and name HB1 ))
      2.800     1.000     1.000 peak   187 spectrum    1 weight  0.10000E+01 volume  0.43229E-02 ppm1      2.620 ppm2      2.256 CV     1
 OR {  187}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 15   and name HB  ))
 ASSI {  190}
   (( segid "    " and resid 73   and name HG2 ))
   (( segid "    " and resid 68   and name HB  ))
      5.200     3.300     0.800 peak   190 spectrum    1 weight  0.10000E+01 volume  0.45414E-03 ppm1      2.508 ppm2      2.395 CV     1
 OR {  190}
   (( segid "    " and resid 73   and name HG2 ))
   (( segid "    " and resid 74   and name HB1 ))
 ASSI {  193}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HB1 ))
      2.300     0.700     0.700 peak   193 spectrum    1 weight  0.10000E+01 volume  0.81098E-02 ppm1      4.236 ppm2      2.486 CV     1
 OR {  193}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HG2 ))
 OR {  193}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HG2 ))
 ASSI {  194}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HB1 ))
      2.900     1.100     1.100 peak   194 spectrum    1 weight  0.10000E+01 volume  0.39984E-02 ppm1      4.228 ppm2      2.344 CV     1
 OR {  194}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 46   and name HB1 ))
 ASSI {  195}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HB2 ))
      2.300     0.700     0.700 peak   195 spectrum    1 weight  0.10000E+01 volume  0.91373E-02 ppm1      4.232 ppm2      2.199 CV     1
 OR {  195}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HB1 ))
 ASSI {  196}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HB2 ))
      2.700     0.900     0.900 peak   196 spectrum    1 weight  0.10000E+01 volume  0.58761E-02 ppm1      4.242 ppm2      2.285 CV     1
 OR {  196}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HB2 ))
 ASSI {  198}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HG1 ))
      2.800     1.000     1.000 peak   198 spectrum    1 weight  0.10000E+01 volume  0.35997E-02 ppm1      4.233 ppm2      2.635 CV     1
 OR {  198}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HG1 ))
 ASSI {  201}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      3.000     1.100     1.100 peak   201 spectrum    1 weight  0.10000E+01 volume  0.26641E-02 ppm1      4.210 ppm2      7.825 CV     1
 OR {  201}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI {  205}
   (( segid "    " and resid 35   and name HZ  ))
   (  segid "    " and resid 10   and name HD2%)
      4.800     2.900     1.200 peak   205 spectrum    1 weight  0.10000E+01 volume  0.25023E-03 ppm1      6.874 ppm2      1.101 CV     1
 OR {  205}
   (( segid "    " and resid 35   and name HZ  ))
   (  segid "    " and resid 48   and name HG2%)
 OR {  205}
   (( segid "    " and resid 35   and name HZ  ))
   (  segid "    " and resid 70   and name HG2%)
 ASSI {  209}
   (( segid "    " and resid 35   and name HZ  ))
   (  segid "    " and resid 14   and name HD2%)
      4.800     2.800     1.200 peak   209 spectrum    1 weight  0.10000E+01 volume  0.26695E-03 ppm1      6.892 ppm2      0.884 CV     1
 OR {  209}
   (( segid "    " and resid 35   and name HZ  ))
   (  segid "    " and resid 38   and name HD1%)
 ASSI {  224}
   (( segid "    " and resid 35   and name HZ  ))
   (  segid "    " and resid 74   and name HD1%)
      5.300     3.500     0.700 peak   224 spectrum    1 weight  0.10000E+01 volume  0.89275E-04 ppm1      6.891 ppm2      1.061 CV     1
 OR {  224}
   (( segid "    " and resid 35   and name HZ  ))
   (  segid "    " and resid 74   and name HD2%)
 OR {  224}
   (( segid "    " and resid 35   and name HZ  ))
   (  segid "    " and resid 10   and name HD1%)
 OR {  224}
   (( segid "    " and resid 35   and name HZ  ))
   (  segid "    " and resid 70   and name HG2%)
 ASSI {  225}
   (( segid "    " and resid 35   and name HZ  ))
   (( segid "    " and resid 74   and name HG  ))
      4.600     2.700     1.400 peak   225 spectrum    1 weight  0.10000E+01 volume  0.30601E-03 ppm1      6.889 ppm2      0.978 CV     1
 OR {  225}
   (( segid "    " and resid 35   and name HZ  ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI {  228}
   (( segid "    " and resid 30   and name HZ  ))
   (  segid "    " and resid 10   and name HD1%)
      5.200     3.400     0.800 peak   228 spectrum    1 weight  0.10000E+01 volume  0.13061E-03 ppm1      7.340 ppm2      1.045 CV     1
 OR {  228}
   (( segid "    " and resid 30   and name HZ  ))
   (( segid "    " and resid 31   and name HB2 ))
 ASSI {  229}
   (( segid "    " and resid 30   and name HZ  ))
   (  segid "    " and resid 14   and name HD2%)
      4.300     2.300     1.700 peak   229 spectrum    1 weight  0.10000E+01 volume  0.38393E-03 ppm1      7.331 ppm2      0.883 CV     1
 OR {  229}
   (( segid "    " and resid 30   and name HZ  ))
   (  segid "    " and resid 75   and name HD2%)
 ASSI {  230}
   (( segid "    " and resid 30   and name HZ  ))
   (  segid "    " and resid 7    and name HG2%)
      3.700     1.700     1.700 peak   230 spectrum    1 weight  0.10000E+01 volume  0.64537E-03 ppm1      7.336 ppm2      1.378 CV     1
 OR {  230}
   (( segid "    " and resid 30   and name HZ  ))
   (( segid "    " and resid 11   and name HG1 ))
 ASSI {  231}
   (( segid "    " and resid 30   and name HZ  ))
   (( segid "    " and resid 11   and name HB2 ))
      3.600     1.600     1.600 peak   231 spectrum    1 weight  0.10000E+01 volume  0.85048E-03 ppm1      7.335 ppm2      2.039 CV     1
 OR {  231}
   (( segid "    " and resid 30   and name HZ  ))
   (( segid "    " and resid 11   and name HB1 ))
 OR {  231}
   (( segid "    " and resid 30   and name HZ  ))
   (( segid "    " and resid 71   and name HB2 ))
 ASSI {  241}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 14   and name HD2%)
      3.100     1.200     1.200 peak   241 spectrum    1 weight  0.10000E+01 volume  0.16796E-02 ppm1      7.209 ppm2      0.890 CV     1
 OR {  241}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 75   and name HD2%)
 ASSI {  242}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 31   and name HD2%)
      3.600     1.600     1.600 peak   242 spectrum    1 weight  0.10000E+01 volume  0.95760E-03 ppm1      7.208 ppm2      0.786 CV     1
 OR {  242}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 14   and name HD1%)
 OR {  242}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 26   and name HD2%)
 ASSI {  245}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 7    and name HG2%)
      2.800     1.000     1.000 peak   245 spectrum    1 weight  0.10000E+01 volume  0.23820E-02 ppm1      7.210 ppm2      1.384 CV     1
 OR {  245}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 11   and name HG1 ))
 ASSI {  246}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 26   and name HG  ))
      4.900     3.000     1.100 peak   246 spectrum    1 weight  0.10000E+01 volume  0.25633E-03 ppm1      7.204 ppm2      1.566 CV     1
 OR {  246}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 10   and name HB2 ))
 OR {  246}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 75   and name HB2 ))
 ASSI {  248}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 11   and name HB2 ))
      3.100     1.200     1.200 peak   248 spectrum    1 weight  0.10000E+01 volume  0.11853E-02 ppm1      7.208 ppm2      2.028 CV     1
 OR {  248}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 71   and name HB2 ))
 OR {  248}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 11   and name HB1 ))
 ASSI {  252}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 30   and name HB1 ))
      4.300     2.300     1.700 peak   252 spectrum    1 weight  0.10000E+01 volume  0.62670E-03 ppm1      7.210 ppm2      3.300 CV     1
 OR {  252}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 31   and name HA  ))
 ASSI {  255}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 30   and name HN  ))
      4.500     2.500     1.500 peak   255 spectrum    1 weight  0.10000E+01 volume  0.35987E-03 ppm1      7.209 ppm2      8.043 CV     1
 OR {  255}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 30   and name HN  ))
 OR {  255}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 10   and name HN  ))
 OR {  255}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 10   and name HN  ))
 ASSI {  263}
   (  segid "    " and resid 35   and name HD% )
   (  segid "    " and resid 70   and name HG2%)
      4.700     2.800     1.300 peak   263 spectrum    1 weight  0.10000E+01 volume  0.33281E-03 ppm1      7.103 ppm2      1.094 CV     1
 OR {  263}
   (  segid "    " and resid 35   and name HD% )
   (  segid "    " and resid 74   and name HD1%)
 OR {  263}
   (  segid "    " and resid 35   and name HD% )
   (  segid "    " and resid 74   and name HD2%)
 ASSI {  265}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 74   and name HG  ))
      4.700     2.800     1.300 peak   265 spectrum    1 weight  0.10000E+01 volume  0.32652E-03 ppm1      7.103 ppm2      0.967 CV     1
 OR {  265}
   (  segid "    " and resid 35   and name HD% )
   (  segid "    " and resid 77   and name HD1%)
 OR {  265}
   (  segid "    " and resid 35   and name HD% )
   (  segid "    " and resid 64   and name HG1%)
 OR {  265}
   (  segid "    " and resid 35   and name HD% )
   (  segid "    " and resid 77   and name HD2%)
 ASSI {  266}
   (  segid "    " and resid 35   and name HD% )
   (  segid "    " and resid 38   and name HD1%)
      3.100     1.200     1.200 peak   266 spectrum    1 weight  0.10000E+01 volume  0.79924E-03 ppm1      7.107 ppm2      0.874 CV     1
 OR {  266}
   (  segid "    " and resid 35   and name HD% )
   (  segid "    " and resid 14   and name HD2%)
 ASSI {  269}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 45   and name HB2 ))
      2.100     0.600     0.600 peak   269 spectrum    1 weight  0.10000E+01 volume  0.56077E-02 ppm1      6.965 ppm2      1.526 CV     1
 OR {  269}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 44   and name HB% )
 OR {  269}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 38   and name HG12))
 ASSI {  273}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 38   and name HG2%)
      3.600     1.700     1.700 peak   273 spectrum    1 weight  0.10000E+01 volume  0.78423E-03 ppm1      6.966 ppm2      1.057 CV     1
 OR {  273}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 74   and name HD1%)
 OR {  273}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 43   and name HD2%)
 OR {  273}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 74   and name HD2%)
 OR {  273}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 70   and name HG2%)
 ASSI {  277}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 45   and name HB2 ))
      5.100     3.300     0.900 peak   277 spectrum    1 weight  0.10000E+01 volume  0.23325E-03 ppm1      6.918 ppm2      1.531 CV     1
 OR {  277}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 38   and name HG12))
 OR {  277}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 44   and name HB% )
 OR {  277}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 49   and name HB% )
 OR {  277}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 18   and name HB% )
 ASSI {  279}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 68   and name HG1%)
      4.200     2.200     1.800 peak   279 spectrum    1 weight  0.10000E+01 volume  0.10628E-02 ppm1      6.921 ppm2      1.126 CV     1
 OR {  279}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 48   and name HG2%)
 OR {  279}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 10   and name HD2%)
 ASSI {  280}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 74   and name HG  ))
      4.100     2.100     1.900 peak   280 spectrum    1 weight  0.10000E+01 volume  0.69508E-03 ppm1      6.923 ppm2      0.979 CV     1
 OR {  280}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 77   and name HD1%)
 OR {  280}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 64   and name HG1%)
 ASSI {  281}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 14   and name HD2%)
      2.900     1.100     1.100 peak   281 spectrum    1 weight  0.10000E+01 volume  0.15492E-02 ppm1      6.922 ppm2      0.879 CV     1
 OR {  281}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 38   and name HD1%)
 ASSI {  284}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 38   and name HG11))
      4.400     2.400     1.600 peak   284 spectrum    1 weight  0.10000E+01 volume  0.34758E-03 ppm1      7.104 ppm2      1.836 CV     1
 OR {  284}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 34   and name HB2 ))
 ASSI {  286}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 38   and name HG12))
      4.200     2.200     1.800 peak   286 spectrum    1 weight  0.10000E+01 volume  0.56409E-03 ppm1      7.111 ppm2      1.533 CV     1
 OR {  286}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 45   and name HB2 ))
 ASSI {  288}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 68   and name HB  ))
      3.500     1.500     1.500 peak   288 spectrum    1 weight  0.10000E+01 volume  0.62038E-03 ppm1      6.921 ppm2      2.421 CV     1
 OR {  288}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 74   and name HB1 ))
 ASSI {  289}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 71   and name HB1 ))
      4.600     2.700     1.400 peak   289 spectrum    1 weight  0.10000E+01 volume  0.24096E-03 ppm1      6.913 ppm2      2.249 CV     1
 OR {  289}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 73   and name HB2 ))
 ASSI {  297}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 38   and name HB  ))
      6.000     4.700     0.000 peak   297 spectrum    1 weight  0.10000E+01 volume  0.21299E-03 ppm1      7.108 ppm2      2.444 CV     1
 OR {  297}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 74   and name HB1 ))
 ASSI {  298}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 40   and name HB2 ))
      3.400     1.400     1.400 peak   298 spectrum    1 weight  0.10000E+01 volume  0.74947E-03 ppm1      7.107 ppm2      2.777 CV     1
 OR {  298}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 71   and name HD2 ))
 ASSI {  304}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 71   and name HD2 ))
      4.900     3.000     1.100 peak   304 spectrum    1 weight  0.10000E+01 volume  0.35625E-03 ppm1      6.920 ppm2      2.782 CV     1
 OR {  304}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 40   and name HB2 ))
 ASSI {  306}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 71   and name HA  ))
      4.900     3.000     1.100 peak   306 spectrum    1 weight  0.10000E+01 volume  0.32363E-03 ppm1      7.107 ppm2      4.229 CV     1
 OR {  306}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 24   and name HB  ))
 ASSI {  307}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 35   and name HA  ))
      4.100     2.200     1.900 peak   307 spectrum    1 weight  0.10000E+01 volume  0.91584E-03 ppm1      6.966 ppm2      4.378 CV     1
 OR {  307}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 18   and name HA  ))
 OR {  307}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 42   and name HB2 ))
 ASSI {  308}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 42   and name HA  ))
      4.900     3.000     1.100 peak   308 spectrum    1 weight  0.10000E+01 volume  0.46067E-03 ppm1      6.964 ppm2      4.265 CV     1
 OR {  308}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 42   and name HA  ))
 OR {  308}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 46   and name HA  ))
 OR {  308}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 46   and name HA  ))
 ASSI {  317}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 38   and name HN  ))
      3.300     1.400     1.400 peak   317 spectrum    1 weight  0.10000E+01 volume  0.53311E-03 ppm1      6.965 ppm2      7.717 CV     1
 OR {  317}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 39   and name HN  ))
 OR {  317}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 74   and name HN  ))
 ASSI {  321}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 45   and name HN  ))
      4.100     2.100     1.900 peak   321 spectrum    1 weight  0.10000E+01 volume  0.49398E-03 ppm1      6.965 ppm2      8.461 CV     1
 OR {  321}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 35   and name HN  ))
 ASSI {  322}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 38   and name HN  ))
      6.000     4.900     0.000 peak   322 spectrum    1 weight  0.10000E+01 volume  0.16228E-03 ppm1      7.107 ppm2      7.721 CV     1
 OR {  322}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 39   and name HN  ))
 ASSI {  326}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 74   and name HN  ))
      4.900     3.000     1.100 peak   326 spectrum    1 weight  0.10000E+01 volume  0.15145E-03 ppm1      6.923 ppm2      7.713 CV     1
 OR {  326}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 38   and name HN  ))
 ASSI {  328}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 35   and name HN  ))
      5.300     3.500     0.700 peak   328 spectrum    1 weight  0.10000E+01 volume  0.15041E-03 ppm1      6.921 ppm2      8.486 CV     1
 OR {  328}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 45   and name HN  ))
 ASSI {  331}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 11   and name HG1 ))
      3.700     1.700     1.700 peak   331 spectrum    1 weight  0.10000E+01 volume  0.70309E-03 ppm1      7.300 ppm2      1.386 CV     1
 OR {  331}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 7    and name HG2%)
 OR {  331}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 33   and name HB2 ))
 ASSI {  333}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 10   and name HD1%)
      4.200     2.200     1.800 peak   333 spectrum    1 weight  0.10000E+01 volume  0.95138E-03 ppm1      7.302 ppm2      1.054 CV     1
 OR {  333}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 31   and name HB2 ))
 OR {  333}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 33   and name HD2%)
 OR {  333}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 38   and name HG2%)
 OR {  333}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 70   and name HG2%)
 ASSI {  334}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 14   and name HD2%)
      3.000     1.100     1.100 peak   334 spectrum    1 weight  0.10000E+01 volume  0.17676E-02 ppm1      7.301 ppm2      0.882 CV     1
 OR {  334}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 38   and name HD1%)
 ASSI {  335}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 31   and name HD2%)
      3.800     1.800     1.800 peak   335 spectrum    1 weight  0.10000E+01 volume  0.97004E-03 ppm1      7.302 ppm2      0.790 CV     1
 OR {  335}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 26   and name HD2%)
 ASSI {  338}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 82   and name HD2%)
      3.100     1.200     1.200 peak   338 spectrum    1 weight  0.10000E+01 volume  0.28260E-02 ppm1      7.436 ppm2      1.014 CV     1
 OR {  338}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 52   and name HD2%)
 ASSI {  339}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 78   and name HG2%)
      3.800     1.800     1.800 peak   339 spectrum    1 weight  0.10000E+01 volume  0.11067E-02 ppm1      7.438 ppm2      0.876 CV     1
 OR {  339}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 52   and name HD1%)
 ASSI {  343}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 55   and name HG1 ))
      3.400     1.400     1.400 peak   343 spectrum    1 weight  0.10000E+01 volume  0.72689E-03 ppm1      7.436 ppm2      1.375 CV     1
 OR {  343}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 5    and name HB2 ))
 ASSI {  351}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 30   and name HB1 ))
      2.400     0.700     0.700 peak   351 spectrum    1 weight  0.10000E+01 volume  0.47145E-02 ppm1      7.301 ppm2      3.295 CV     1
 OR {  351}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 31   and name HA  ))
 ASSI {  355}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 53   and name HA  ))
      4.400     2.400     1.600 peak   355 spectrum    1 weight  0.10000E+01 volume  0.47517E-03 ppm1      7.437 ppm2      4.094 CV     1
 OR {  355}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 55   and name HA  ))
 OR {  355}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 57   and name HA2 ))
 OR {  355}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 57   and name HA1 ))
 ASSI {  357}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 26   and name HA  ))
      3.800     1.800     1.800 peak   357 spectrum    1 weight  0.10000E+01 volume  0.34710E-03 ppm1      7.302 ppm2      4.354 CV     1
 OR {  357}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 35   and name HA  ))
 ASSI {  365}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 55   and name HG1 ))
      3.200     1.300     1.300 peak   365 spectrum    1 weight  0.10000E+01 volume  0.15883E-02 ppm1      6.808 ppm2      1.374 CV     1
 OR {  365}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 5    and name HB2 ))
 ASSI {  368}
   (  segid "    " and resid 56   and name HE% )
   (  segid "    " and resid 52   and name HD1%)
      3.800     1.800     1.800 peak   368 spectrum    1 weight  0.10000E+01 volume  0.11893E-02 ppm1      6.807 ppm2      0.862 CV     1
 OR {  368}
   (  segid "    " and resid 56   and name HE% )
   (  segid "    " and resid 78   and name HG2%)
 ASSI {  369}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 38   and name HD1%)
      2.900     1.100     1.100 peak   369 spectrum    1 weight  0.10000E+01 volume  0.15391E-02 ppm1      6.753 ppm2      0.866 CV     1
 OR {  369}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 14   and name HD2%)
 ASSI {  375}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 44   and name HB% )
      2.600     0.900     0.900 peak   375 spectrum    1 weight  0.10000E+01 volume  0.47095E-02 ppm1      6.756 ppm2      1.531 CV     1
 OR {  375}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 45   and name HB2 ))
 OR {  375}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 18   and name HB% )
 ASSI {  377}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 14   and name HB1 ))
      3.300     3.300     2.700 peak   377 spectrum    1 weight  0.10000E+01 volume  0.56163E-03 ppm1      6.755 ppm2      1.988 CV     1
 OR {  377}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 51   and name HG1 ))
 ASSI {  384}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 40   and name HB2 ))
      4.300     2.300     1.700 peak   384 spectrum    1 weight  0.10000E+01 volume  0.69366E-03 ppm1      6.758 ppm2      2.772 CV     1
 OR {  384}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 46   and name HG2 ))
 ASSI {  385}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 9    and name HB2 ))
      3.400     3.400     2.600 peak   385 spectrum    1 weight  0.10000E+01 volume  0.43712E-03 ppm1      6.809 ppm2      2.691 CV     1
 OR {  385}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 76   and name HB2 ))
 ASSI {  386}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 38   and name HB  ))
      3.500     1.500     1.500 peak   386 spectrum    1 weight  0.10000E+01 volume  0.47835E-03 ppm1      6.753 ppm2      2.454 CV     1
 OR {  386}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 47   and name HG2 ))
 ASSI {  389}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 18   and name HA  ))
      3.600     1.600     1.600 peak   389 spectrum    1 weight  0.10000E+01 volume  0.12256E-02 ppm1      6.757 ppm2      4.387 CV     1
 OR {  389}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 48   and name HB  ))
 OR {  389}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 14   and name HA  ))
 ASSI {  390}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 24   and name HB  ))
      4.100     2.100     1.900 peak   390 spectrum    1 weight  0.10000E+01 volume  0.52694E-03 ppm1      6.758 ppm2      4.256 CV     1
 OR {  390}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 24   and name HB  ))
 OR {  390}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 42   and name HA  ))
 OR {  390}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 42   and name HA  ))
 OR {  390}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 46   and name HA  ))
 OR {  390}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 46   and name HA  ))
 OR {  390}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 71   and name HA  ))
 OR {  390}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 71   and name HA  ))
 OR {  390}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 47   and name HA  ))
 ASSI {  396}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 17   and name HB2 ))
      4.100     2.100     1.900 peak   396 spectrum    1 weight  0.10000E+01 volume  0.53303E-03 ppm1      6.758 ppm2      4.067 CV     1
 OR {  396}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 23   and name HA1 ))
 ASSI {  398}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 45   and name HN  ))
      3.700     1.700     1.700 peak   398 spectrum    1 weight  0.10000E+01 volume  0.88685E-03 ppm1      6.755 ppm2      8.465 CV     1
 OR {  398}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 47   and name HN  ))
 ASSI {  404}
   (  segid "    " and resid 38   and name HD1%)
   (  segid "    " and resid 38   and name HG2%)
      2.100     0.600     0.600 peak   404 spectrum    1 weight  0.10000E+01 volume  0.11888E-01 ppm1      0.852 ppm2      1.052 CV     1
 OR {  404}
   (  segid "    " and resid 60   and name HD1%)
   (  segid "    " and resid 60   and name HG2%)
 ASSI {  405}
   (  segid "    " and resid 60   and name HD1%)
   (  segid "    " and resid 77   and name HD1%)
      2.500     0.800     0.800 peak   405 spectrum    1 weight  0.10000E+01 volume  0.73529E-02 ppm1      0.840 ppm2      0.960 CV     1
 OR {  405}
   (  segid "    " and resid 60   and name HD1%)
   (  segid "    " and resid 64   and name HG1%)
 OR {  405}
   (  segid "    " and resid 60   and name HD1%)
   (  segid "    " and resid 77   and name HD2%)
 OR {  405}
   (  segid "    " and resid 60   and name HD1%)
   (  segid "    " and resid 58   and name HG2%)
 ASSI {  410}
   (  segid "    " and resid 38   and name HD1%)
   (  segid "    " and resid 24   and name HG2%)
      2.800     1.000     1.000 peak   410 spectrum    1 weight  0.10000E+01 volume  0.18968E-02 ppm1      0.868 ppm2      1.292 CV     1
 OR {  410}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 71   and name HG2 ))
 ASSI {  412}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 26   and name HB2 ))
      3.700     1.700     1.700 peak   412 spectrum    1 weight  0.10000E+01 volume  0.81938E-03 ppm1      0.868 ppm2      1.227 CV     1
 OR {  412}
   (  segid "    " and resid 38   and name HD1%)
   (  segid "    " and resid 68   and name HG2%)
 ASSI {  415}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 71   and name HG1 ))
      3.400     1.500     1.500 peak   415 spectrum    1 weight  0.10000E+01 volume  0.16051E-02 ppm1      0.850 ppm2      2.189 CV     1
 OR {  415}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 64   and name HB  ))
 OR {  415}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 34   and name HB1 ))
 ASSI {  417}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 53   and name HG1 ))
      3.400     1.400     1.400 peak   417 spectrum    1 weight  0.10000E+01 volume  0.14447E-02 ppm1      0.860 ppm2      2.779 CV     1
 OR {  417}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 40   and name HB2 ))
 OR {  417}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 71   and name HD2 ))
 ASSI {  419}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 40   and name HB1 ))
      4.000     2.000     2.000 peak   419 spectrum    1 weight  0.10000E+01 volume  0.11252E-02 ppm1      0.865 ppm2      3.010 CV     1
 OR {  419}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 30   and name HB2 ))
 ASSI {  423}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 65   and name HA  ))
      3.500     1.500     1.500 peak   423 spectrum    1 weight  0.10000E+01 volume  0.23491E-02 ppm1      0.839 ppm2      3.959 CV     1
 OR {  423}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 49   and name HA  ))
 ASSI {  425}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 35   and name HB1 ))
      4.700     2.700     1.300 peak   425 spectrum    1 weight  0.10000E+01 volume  0.53430E-03 ppm1      0.856 ppm2      3.583 CV     1
 OR {  425}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 61   and name HD2 ))
 ASSI {  428}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 35   and name HN  ))
      4.500     2.600     1.500 peak   428 spectrum    1 weight  0.10000E+01 volume  0.49793E-03 ppm1      0.863 ppm2      8.468 CV     1
 OR {  428}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 45   and name HN  ))
 ASSI {  433}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 38   and name HN  ))
      4.100     2.100     1.900 peak   433 spectrum    1 weight  0.10000E+01 volume  0.17559E-02 ppm1      0.868 ppm2      7.711 CV     1
 OR {  433}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 39   and name HN  ))
 ASSI {  438}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 51   and name HN  ))
      4.500     2.500     1.500 peak   438 spectrum    1 weight  0.10000E+01 volume  0.51720E-03 ppm1      1.520 ppm2      8.100 CV     1
 OR {  438}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 60   and name HN  ))
 ASSI {  448}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 46   and name HA  ))
      2.800     1.000     1.000 peak   448 spectrum    1 weight  0.10000E+01 volume  0.37518E-02 ppm1      1.522 ppm2      4.258 CV     1
 OR {  448}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 50   and name HA  ))
 OR {  448}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 47   and name HA  ))
 ASSI {  454}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 65   and name HA  ))
      2.900     1.100     1.100 peak   454 spectrum    1 weight  0.10000E+01 volume  0.31759E-02 ppm1      1.023 ppm2      3.996 CV     1
 OR {  454}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 61   and name HD1 ))
 ASSI {  455}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 78   and name HA  ))
      4.800     2.900     1.200 peak   455 spectrum    1 weight  0.10000E+01 volume  0.58106E-03 ppm1      1.025 ppm2      3.743 CV     1
 OR {  455}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 59   and name HB2 ))
 ASSI {  457}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 56   and name HB2 ))
      3.800     1.800     1.800 peak   457 spectrum    1 weight  0.10000E+01 volume  0.96234E-03 ppm1      0.867 ppm2      2.772 CV     1
 OR {  457}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 53   and name HG1 ))
 OR {  457}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 79   and name HB2 ))
 ASSI {  458}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 5    and name HA  ))
      4.700     2.800     1.300 peak   458 spectrum    1 weight  0.10000E+01 volume  0.45468E-03 ppm1      0.871 ppm2      4.501 CV     1
 OR {  458}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 76   and name HA  ))
 ASSI {  459}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 53   and name HG2 ))
      4.200     2.200     1.800 peak   459 spectrum    1 weight  0.10000E+01 volume  0.50577E-03 ppm1      1.524 ppm2      2.335 CV     1
 OR {  459}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 53   and name HB2 ))
 OR {  459}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 46   and name HB1 ))
 ASSI {  460}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 52   and name HB1 ))
      4.100     2.100     1.900 peak   460 spectrum    1 weight  0.10000E+01 volume  0.14467E-02 ppm1      1.523 ppm2      2.190 CV     1
 OR {  460}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 51   and name HB1 ))
 OR {  460}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 64   and name HB  ))
 ASSI {  474}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 61   and name HB2 ))
      4.100     2.200     1.900 peak   474 spectrum    1 weight  0.10000E+01 volume  0.71079E-03 ppm1      1.022 ppm2      2.076 CV     1
 OR {  474}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 67   and name HB1 ))
 ASSI {  477}
   (  segid "    " and resid 60   and name HG2%)
   (  segid "    " and resid 81   and name HB% )
      3.800     1.800     1.800 peak   477 spectrum    1 weight  0.10000E+01 volume  0.14864E-02 ppm1      1.025 ppm2      1.617 CV     1
 OR {  477}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 45   and name HB1 ))
 ASSI {  478}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 60   and name HG11))
      2.900     1.100     1.100 peak   478 spectrum    1 weight  0.10000E+01 volume  0.30679E-02 ppm1      1.023 ppm2      1.502 CV     1
 OR {  478}
   (  segid "    " and resid 60   and name HG2%)
   (  segid "    " and resid 49   and name HB% )
 ASSI {  483}
   (  segid "    " and resid 78   and name HG2%)
   (  segid "    " and resid 82   and name HD1%)
      2.100     0.500     0.500 peak   483 spectrum    1 weight  0.10000E+01 volume  0.12370E-01 ppm1      0.867 ppm2      0.984 CV     1
 OR {  483}
   (  segid "    " and resid 78   and name HG2%)
   (  segid "    " and resid 82   and name HD2%)
 OR {  483}
   (  segid "    " and resid 78   and name HG2%)
   (  segid "    " and resid 58   and name HG2%)
 ASSI {  487}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 60   and name HG2%)
      2.800     1.000     1.000 peak   487 spectrum    1 weight  0.10000E+01 volume  0.39344E-02 ppm1      1.521 ppm2      1.033 CV     1
 OR {  487}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 52   and name HD2%)
 ASSI {  488}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 60   and name HD1%)
      3.300     1.400     1.400 peak   488 spectrum    1 weight  0.10000E+01 volume  0.18958E-02 ppm1      1.521 ppm2      0.840 CV     1
 OR {  488}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 52   and name HD1%)
 ASSI {  500}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 83   and name HN  ))
      5.600     3.900     0.400 peak   500 spectrum    1 weight  0.10000E+01 volume  0.17171E-03 ppm1      1.619 ppm2      7.959 CV     1
 OR {  500}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 57   and name HN  ))
 ASSI {  506}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 14   and name HN  ))
      2.600     0.900     0.900 peak   506 spectrum    1 weight  0.10000E+01 volume  0.44366E-02 ppm1      1.668 ppm2      8.396 CV     1
 OR {  506}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 52   and name HN  ))
 ASSI {  521}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 40   and name HA  ))
      3.000     1.100     1.100 peak   521 spectrum    1 weight  0.10000E+01 volume  0.32715E-02 ppm1      1.520 ppm2      4.585 CV     1
 OR {  521}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 17   and name HA  ))
 ASSI {  526}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 50   and name HA  ))
      2.000     0.500     0.500 peak   526 spectrum    1 weight  0.10000E+01 volume  0.20285E-01 ppm1      1.648 ppm2      4.239 CV     1
 OR {  526}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 47   and name HA  ))
 ASSI {  528}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 48   and name HA  ))
      4.200     2.200     1.800 peak   528 spectrum    1 weight  0.10000E+01 volume  0.61866E-03 ppm1      1.667 ppm2      3.944 CV     1
 OR {  528}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 49   and name HA  ))
 OR {  528}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 15   and name HA  ))
 ASSI {  532}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 40   and name HB2 ))
      3.200     1.300     1.300 peak   532 spectrum    1 weight  0.10000E+01 volume  0.17360E-02 ppm1      1.521 ppm2      2.769 CV     1
 OR {  532}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 46   and name HG2 ))
 ASSI {  536}
   (  segid "    " and resid 65   and name HB% )
   (  segid "    " and resid 64   and name HG1%)
      3.300     1.300     1.300 peak   536 spectrum    1 weight  0.10000E+01 volume  0.40318E-02 ppm1      1.381 ppm2      0.972 CV     1
 OR {  536}
   (  segid "    " and resid 65   and name HB% )
   (  segid "    " and resid 77   and name HD1%)
 OR {  536}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 74   and name HG  ))
 ASSI {  539}
   (  segid "    " and resid 81   and name HB% )
   (  segid "    " and resid 58   and name HG2%)
      2.700     0.900     0.900 peak   539 spectrum    1 weight  0.10000E+01 volume  0.82541E-02 ppm1      1.624 ppm2      0.959 CV     1
 OR {  539}
   (  segid "    " and resid 81   and name HB% )
   (  segid "    " and resid 82   and name HD2%)
 OR {  539}
   (  segid "    " and resid 81   and name HB% )
   (  segid "    " and resid 82   and name HD1%)
 ASSI {  540}
   (  segid "    " and resid 13   and name HB% )
   (  segid "    " and resid 48   and name HG2%)
      2.800     1.000     1.000 peak   540 spectrum    1 weight  0.10000E+01 volume  0.43495E-02 ppm1      1.668 ppm2      1.133 CV     1
 OR {  540}
   (  segid "    " and resid 13   and name HB% )
   (  segid "    " and resid 10   and name HD2%)
 OR {  540}
   (  segid "    " and resid 13   and name HB% )
   (  segid "    " and resid 15   and name HG2%)
 ASSI {  543}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 52   and name HG  ))
      2.700     0.900     0.900 peak   543 spectrum    1 weight  0.10000E+01 volume  0.43393E-02 ppm1      1.667 ppm2      2.027 CV     1
 OR {  543}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 51   and name HB2 ))
 OR {  543}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 12   and name HB1 ))
 ASSI {  553}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 10   and name HG  ))
      3.700     1.700     1.700 peak   553 spectrum    1 weight  0.10000E+01 volume  0.17800E-02 ppm1      1.666 ppm2      1.869 CV     1
 OR {  553}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 14   and name HG  ))
 OR {  553}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 55   and name HB1 ))
 ASSI {  565}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 56   and name HN  ))
      4.100     2.100     1.900 peak   565 spectrum    1 weight  0.10000E+01 volume  0.10258E-02 ppm1      0.917 ppm2      8.120 CV     1
 OR {  565}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 60   and name HN  ))
 ASSI {  566}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 57   and name HN  ))
      3.700     1.700     1.700 peak   566 spectrum    1 weight  0.10000E+01 volume  0.72657E-03 ppm1      0.917 ppm2      7.962 CV     1
 OR {  566}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 83   and name HN  ))
 ASSI {  567}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 38   and name HN  ))
      2.800     1.000     1.000 peak   567 spectrum    1 weight  0.10000E+01 volume  0.35731E-02 ppm1      1.055 ppm2      7.712 CV     1
 OR {  567}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 39   and name HN  ))
 ASSI {  579}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 53   and name HA  ))
      2.900     1.000     1.000 peak   579 spectrum    1 weight  0.10000E+01 volume  0.54293E-02 ppm1      0.918 ppm2      4.086 CV     1
 OR {  579}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 57   and name HA1 ))
 OR {  579}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 57   and name HA2 ))
 ASSI {  580}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 78   and name HA  ))
      3.200     1.300     1.300 peak   580 spectrum    1 weight  0.10000E+01 volume  0.17924E-02 ppm1      0.919 ppm2      3.744 CV     1
 OR {  580}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 59   and name HB2 ))
 ASSI {  588}
   (  segid "    " and resid 85   and name HB% )
   (( segid "    " and resid 82   and name HA  ))
      2.700     0.900     0.900 peak   588 spectrum    1 weight  0.10000E+01 volume  0.33604E-02 ppm1      1.568 ppm2      4.212 CV     1
 OR {  588}
   (  segid "    " and resid 85   and name HB% )
   (( segid "    " and resid 86   and name HA  ))
 ASSI {  595}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 53   and name HG1 ))
      3.100     1.200     1.200 peak   595 spectrum    1 weight  0.10000E+01 volume  0.27336E-02 ppm1      0.919 ppm2      2.774 CV     1
 OR {  595}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 56   and name HB2 ))
 ASSI {  609}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 60   and name HG11))
      3.800     1.800     1.800 peak   609 spectrum    1 weight  0.10000E+01 volume  0.16042E-02 ppm1      0.917 ppm2      1.491 CV     1
 OR {  609}
   (  segid "    " and resid 58   and name HG1%)
   (  segid "    " and resid 86   and name HB% )
 ASSI {  610}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 37   and name HB1 ))
      3.300     1.400     1.400 peak   610 spectrum    1 weight  0.10000E+01 volume  0.11195E-02 ppm1      1.057 ppm2      3.092 CV     1
 OR {  610}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 35   and name HB2 ))
 ASSI {  611}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 37   and name HB2 ))
      4.000     2.000     2.000 peak   611 spectrum    1 weight  0.10000E+01 volume  0.97421E-03 ppm1      1.054 ppm2      2.992 CV     1
 OR {  611}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 40   and name HB1 ))
 OR {  611}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 30   and name HB2 ))
 ASSI {  612}
   (  segid "    " and resid 38   and name HG2%)
   (  segid "    " and resid 40   and name HD% )
      5.000     3.100     1.000 peak   612 spectrum    1 weight  0.10000E+01 volume  0.66480E-03 ppm1      1.055 ppm2      6.950 CV     1
 OR {  612}
   (  segid "    " and resid 38   and name HG2%)
   (  segid "    " and resid 35   and name HE% )
 ASSI {  615}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 14   and name HN  ))
      3.700     1.700     1.700 peak   615 spectrum    1 weight  0.10000E+01 volume  0.12916E-02 ppm1      1.124 ppm2      8.395 CV     1
 OR {  615}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 52   and name HN  ))
 ASSI {  623}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 18   and name HN  ))
      2.300     0.600     0.600 peak   623 spectrum    1 weight  0.10000E+01 volume  0.10244E-01 ppm1      1.540 ppm2      7.839 CV     1
 OR {  623}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 17   and name HN  ))
 ASSI {  625}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 20   and name HN  ))
      4.000     2.000     2.000 peak   625 spectrum    1 weight  0.10000E+01 volume  0.10865E-02 ppm1      1.540 ppm2      8.471 CV     1
 OR {  625}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 23   and name HN  ))
 OR {  625}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 15   and name HN  ))
 ASSI {  626}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 17   and name HA  ))
      4.300     2.400     1.700 peak   626 spectrum    1 weight  0.10000E+01 volume  0.58544E-03 ppm1      1.540 ppm2      4.568 CV     1
 OR {  626}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 40   and name HA  ))
 ASSI {  632}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 52   and name HD1%)
      2.400     0.700     0.700 peak   632 spectrum    1 weight  0.10000E+01 volume  0.85427E-02 ppm1      1.124 ppm2      0.865 CV     1
 OR {  632}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 14   and name HD2%)
 ASSI {  635}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 74   and name HG  ))
      2.600     0.900     0.900 peak   635 spectrum    1 weight  0.10000E+01 volume  0.60735E-02 ppm1      1.215 ppm2      0.951 CV     1
 OR {  635}
   (  segid "    " and resid 68   and name HG2%)
   (  segid "    " and resid 77   and name HD1%)
 OR {  635}
   (  segid "    " and resid 68   and name HG2%)
   (  segid "    " and resid 64   and name HG1%)
 ASSI {  636}
   (  segid "    " and resid 2    and name HB% )
   (  segid "    " and resid 4    and name HD2%)
      2.800     1.000     1.000 peak   636 spectrum    1 weight  0.10000E+01 volume  0.39970E-02 ppm1      1.642 ppm2      0.980 CV     1
 OR {  636}
   (  segid "    " and resid 2    and name HB% )
   (  segid "    " and resid 82   and name HD1%)
 ASSI {  637}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 52   and name HG  ))
      2.700     0.900     0.900 peak   637 spectrum    1 weight  0.10000E+01 volume  0.28597E-02 ppm1      1.124 ppm2      2.024 CV     1
 OR {  637}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 51   and name HB2 ))
 ASSI {  638}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 14   and name HG  ))
      2.700     2.700     3.300 peak   638 spectrum    1 weight  0.10000E+01 volume  0.28842E-02 ppm1      1.125 ppm2      1.880 CV     1
 OR {  638}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 10   and name HG  ))
 ASSI {  639}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 13   and name HB% )
      2.500     0.800     0.800 peak   639 spectrum    1 weight  0.10000E+01 volume  0.66346E-02 ppm1      1.125 ppm2      1.667 CV     1
 OR {  639}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 50   and name HB% )
 ASSI {  644}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 51   and name HB1 ))
      3.500     1.500     1.500 peak   644 spectrum    1 weight  0.10000E+01 volume  0.13993E-02 ppm1      1.124 ppm2      2.199 CV     1
 OR {  644}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 52   and name HB1 ))
 OR {  644}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 71   and name HG1 ))
 ASSI {  646}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 65   and name HA  ))
      3.200     1.300     1.300 peak   646 spectrum    1 weight  0.10000E+01 volume  0.14825E-02 ppm1      0.971 ppm2      3.978 CV     1
 OR {  646}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 49   and name HA  ))
 ASSI {  648}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 48   and name HA  ))
      2.300     0.700     0.700 peak   648 spectrum    1 weight  0.10000E+01 volume  0.71028E-02 ppm1      1.125 ppm2      3.954 CV     1
 OR {  648}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 49   and name HA  ))
 ASSI {  652}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 14   and name HA  ))
      2.100     0.500     0.500 peak   652 spectrum    1 weight  0.10000E+01 volume  0.10294E-01 ppm1      1.125 ppm2      4.403 CV     1
 OR {  652}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 48   and name HB  ))
 ASSI {  656}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 67   and name HN  ))
      3.600     1.600     1.600 peak   656 spectrum    1 weight  0.10000E+01 volume  0.17832E-02 ppm1      1.216 ppm2      7.458 CV     1
 OR {  656}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 70   and name HN  ))
 ASSI {  663}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 66   and name HN  ))
      4.400     2.400     1.600 peak   663 spectrum    1 weight  0.10000E+01 volume  0.41547E-03 ppm1      1.216 ppm2      8.012 CV     1
 OR {  663}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 77   and name HN  ))
 ASSI {  673}
   (  segid "    " and resid 74   and name HD1%)
   (  segid "    " and resid 52   and name HD1%)
      3.100     1.200     1.200 peak   673 spectrum    1 weight  0.10000E+01 volume  0.24463E-02 ppm1      1.064 ppm2      0.853 CV     1
 OR {  673}
   (  segid "    " and resid 74   and name HD2%)
   (  segid "    " and resid 60   and name HD1%)
 OR {  673}
   (  segid "    " and resid 74   and name HD2%)
   (  segid "    " and resid 52   and name HD1%)
 OR {  673}
   (  segid "    " and resid 74   and name HD2%)
   (  segid "    " and resid 78   and name HG2%)
 OR {  673}
   (  segid "    " and resid 74   and name HD1%)
   (  segid "    " and resid 60   and name HD1%)
 OR {  673}
   (  segid "    " and resid 74   and name HD1%)
   (  segid "    " and resid 78   and name HG2%)
 ASSI {  688}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 34   and name HB1 ))
      3.800     1.800     1.800 peak   688 spectrum    1 weight  0.10000E+01 volume  0.10718E-02 ppm1      1.078 ppm2      2.172 CV     1
 OR {  688}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 71   and name HG1 ))
 ASSI {  693}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 9    and name HB2 ))
      4.000     2.000     2.000 peak   693 spectrum    1 weight  0.10000E+01 volume  0.87909E-03 ppm1      1.412 ppm2      2.705 CV     1
 OR {  693}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 8    and name HB2 ))
 OR {  693}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 8    and name HB1 ))
 ASSI {  705}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 56   and name HB2 ))
      3.500     1.500     1.500 peak   705 spectrum    1 weight  0.10000E+01 volume  0.14588E-02 ppm1      0.968 ppm2      2.782 CV     1
 OR {  705}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 53   and name HG1 ))
 ASSI {  707}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 16   and name HA  ))
      3.300     1.400     1.400 peak   707 spectrum    1 weight  0.10000E+01 volume  0.14039E-02 ppm1      1.034 ppm2      4.203 CV     1
 OR {  707}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 24   and name HB  ))
 ASSI {  708}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 23   and name HA1 ))
      3.400     1.500     1.500 peak   708 spectrum    1 weight  0.10000E+01 volume  0.18994E-02 ppm1      1.034 ppm2      4.048 CV     1
 OR {  708}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 12   and name HA  ))
 OR {  708}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 23   and name HA2 ))
 ASSI {  721}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 58   and name HA  ))
      2.900     1.000     1.000 peak   721 spectrum    1 weight  0.10000E+01 volume  0.55230E-02 ppm1      0.969 ppm2      4.682 CV     1
 OR {  721}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 60   and name HA  ))
 ASSI {  749}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 33   and name HN  ))
      4.200     2.200     1.800 peak   749 spectrum    1 weight  0.10000E+01 volume  0.43127E-03 ppm1      1.078 ppm2      7.212 CV     1
 OR {  749}
   (  segid "    " and resid 70   and name HG2%)
   (  segid "    " and resid 30   and name HE% )
 ASSI {  756}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 26   and name HN  ))
      4.000     2.000     2.000 peak   756 spectrum    1 weight  0.10000E+01 volume  0.67019E-03 ppm1      1.276 ppm2      8.458 CV     1
 OR {  756}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 15   and name HN  ))
 ASSI {  760}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 15   and name HN  ))
      3.500     1.600     1.600 peak   760 spectrum    1 weight  0.10000E+01 volume  0.33614E-02 ppm1      1.033 ppm2      8.453 CV     1
 OR {  760}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 26   and name HN  ))
 ASSI {  761}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 49   and name HN  ))
      4.100     2.100     1.900 peak   761 spectrum    1 weight  0.10000E+01 volume  0.56454E-03 ppm1      1.064 ppm2      8.741 CV     1
 OR {  761}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 75   and name HN  ))
 OR {  761}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 75   and name HN  ))
 ASSI {  762}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 69   and name HN  ))
      3.900     1.900     1.900 peak   762 spectrum    1 weight  0.10000E+01 volume  0.84279E-03 ppm1      1.076 ppm2      9.076 CV     1
 OR {  762}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 72   and name HE  ))
 ASSI {  768}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 16   and name HN  ))
      3.500     1.500     1.500 peak   768 spectrum    1 weight  0.10000E+01 volume  0.23624E-02 ppm1      1.034 ppm2      8.219 CV     1
 OR {  768}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 65   and name HN  ))
 ASSI {  791}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 74   and name HG  ))
      3.800     1.800     1.800 peak   791 spectrum    1 weight  0.10000E+01 volume  0.18672E-02 ppm1      0.354 ppm2      0.978 CV     1
 OR {  791}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 77   and name HD1%)
 OR {  791}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 64   and name HG1%)
 ASSI {  793}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 10   and name HD1%)
      3.100     1.200     1.200 peak   793 spectrum    1 weight  0.10000E+01 volume  0.29099E-02 ppm1      0.757 ppm2      1.026 CV     1
 OR {  793}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 15   and name HG1%)
 OR {  793}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 52   and name HD2%)
 ASSI {  799}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 13   and name HB% )
      4.100     2.100     1.900 peak   799 spectrum    1 weight  0.10000E+01 volume  0.10290E-02 ppm1      0.757 ppm2      1.662 CV     1
 OR {  799}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 50   and name HB% )
 ASSI {  801}
   (  segid "    " and resid 52   and name HD2%)
   (  segid "    " and resid 5    and name HD1%)
      2.500     0.800     0.800 peak   801 spectrum    1 weight  0.10000E+01 volume  0.60302E-02 ppm1      1.036 ppm2      0.627 CV     1
 OR {  801}
   (  segid "    " and resid 52   and name HD2%)
   (  segid "    " and resid 5    and name HD2%)
 OR {  801}
   (  segid "    " and resid 10   and name HD1%)
   (  segid "    " and resid 5    and name HD1%)
 ASSI {  802}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 75   and name HD2%)
      3.300     1.300     1.300 peak   802 spectrum    1 weight  0.10000E+01 volume  0.21692E-02 ppm1      1.380 ppm2      0.870 CV     1
 OR {  802}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 14   and name HD2%)
 ASSI {  804}
   (  segid "    " and resid 52   and name HD2%)
   (  segid "    " and resid 52   and name HD1%)
      2.100     0.500     0.500 peak   804 spectrum    1 weight  0.10000E+01 volume  0.16973E-01 ppm1      1.041 ppm2      0.859 CV     1
 OR {  804}
   (  segid "    " and resid 10   and name HD1%)
   (  segid "    " and resid 52   and name HD1%)
 ASSI {  805}
   (  segid "    " and resid 10   and name HD1%)
   (  segid "    " and resid 75   and name HD1%)
      2.600     0.900     0.900 peak   805 spectrum    1 weight  0.10000E+01 volume  0.86613E-02 ppm1      1.038 ppm2      0.790 CV     1
 OR {  805}
   (  segid "    " and resid 52   and name HD2%)
   (  segid "    " and resid 78   and name HD1%)
 OR {  805}
   (  segid "    " and resid 10   and name HD1%)
   (  segid "    " and resid 31   and name HD2%)
 OR {  805}
   (  segid "    " and resid 10   and name HD1%)
   (  segid "    " and resid 78   and name HD1%)
 ASSI {  809}
   (  segid "    " and resid 68   and name HG1%)
   (  segid "    " and resid 77   and name HD1%)
      2.100     0.600     0.600 peak   809 spectrum    1 weight  0.10000E+01 volume  0.84003E-02 ppm1      1.133 ppm2      0.952 CV     1
 OR {  809}
   (  segid "    " and resid 68   and name HG1%)
   (  segid "    " and resid 64   and name HG1%)
 OR {  809}
   (  segid "    " and resid 68   and name HG1%)
   (  segid "    " and resid 77   and name HD2%)
 ASSI {  810}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 38   and name HD1%)
      2.400     0.700     0.700 peak   810 spectrum    1 weight  0.10000E+01 volume  0.61037E-02 ppm1      0.689 ppm2      0.881 CV     1
 OR {  810}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 14   and name HD2%)
 ASSI {  816}
   (  segid "    " and resid 52   and name HD2%)
   (  segid "    " and resid 13   and name HB% )
      2.200     0.600     0.600 peak   816 spectrum    1 weight  0.10000E+01 volume  0.11375E-01 ppm1      1.039 ppm2      1.670 CV     1
 OR {  816}
   (  segid "    " and resid 10   and name HD1%)
   (  segid "    " and resid 13   and name HB% )
 ASSI {  817}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 10   and name HB2 ))
      2.500     0.800     0.800 peak   817 spectrum    1 weight  0.10000E+01 volume  0.68071E-02 ppm1      1.041 ppm2      1.557 CV     1
 OR {  817}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 75   and name HB2 ))
 OR {  817}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 5    and name HB1 ))
 OR {  817}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 5    and name HG  ))
 ASSI {  818}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 52   and name HB2 ))
      2.900     1.100     1.100 peak   818 spectrum    1 weight  0.10000E+01 volume  0.45713E-02 ppm1      1.036 ppm2      1.448 CV     1
 OR {  818}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 14   and name HB2 ))
 ASSI {  819}
   (  segid "    " and resid 10   and name HD1%)
   (  segid "    " and resid 7    and name HG2%)
      3.500     1.500     1.500 peak   819 spectrum    1 weight  0.10000E+01 volume  0.21014E-02 ppm1      1.036 ppm2      1.402 CV     1
 OR {  819}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 11   and name HG1 ))
 ASSI {  823}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 74   and name HB2 ))
      2.300     0.700     0.700 peak   823 spectrum    1 weight  0.10000E+01 volume  0.10156E-01 ppm1      1.065 ppm2      1.702 CV     1
 OR {  823}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 78   and name HG11))
 OR {  823}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 74   and name HB2 ))
 ASSI {  824}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 26   and name HB1 ))
      3.700     1.700     1.700 peak   824 spectrum    1 weight  0.10000E+01 volume  0.29560E-02 ppm1      1.110 ppm2      1.449 CV     1
 OR {  824}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 14   and name HB2 ))
 ASSI {  828}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 52   and name HB1 ))
      2.600     0.900     0.900 peak   828 spectrum    1 weight  0.10000E+01 volume  0.34078E-02 ppm1      1.037 ppm2      2.217 CV     1
 OR {  828}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 51   and name HB1 ))
 ASSI {  834}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 42   and name HA  ))
      3.400     1.400     1.400 peak   834 spectrum    1 weight  0.10000E+01 volume  0.15587E-02 ppm1      0.354 ppm2      4.269 CV     1
 OR {  834}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 46   and name HA  ))
 ASSI {  835}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 14   and name HA  ))
      2.200     0.600     0.600 peak   835 spectrum    1 weight  0.10000E+01 volume  0.76858E-02 ppm1      0.758 ppm2      4.397 CV     1
 OR {  835}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 48   and name HB  ))
 ASSI {  838}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 13   and name HA  ))
      3.300     1.300     1.300 peak   838 spectrum    1 weight  0.10000E+01 volume  0.14929E-02 ppm1      1.037 ppm2      4.404 CV     1
 OR {  838}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 14   and name HA  ))
 OR {  838}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 48   and name HB  ))
 OR {  838}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 13   and name HA  ))
 OR {  838}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 54   and name HA  ))
 ASSI {  839}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 4    and name HA  ))
      2.800     1.000     1.000 peak   839 spectrum    1 weight  0.10000E+01 volume  0.86254E-02 ppm1      0.881 ppm2      4.360 CV     1
 OR {  839}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 3    and name HA  ))
 ASSI {  841}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 10   and name HA  ))
      2.300     0.700     0.700 peak   841 spectrum    1 weight  0.10000E+01 volume  0.11083E-01 ppm1      1.042 ppm2      4.210 CV     1
 OR {  841}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 10   and name HA  ))
 OR {  841}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 71   and name HA  ))
 ASSI {  842}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 75   and name HA  ))
      3.500     1.500     1.500 peak   842 spectrum    1 weight  0.10000E+01 volume  0.16589E-02 ppm1      1.042 ppm2      3.890 CV     1
 OR {  842}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 7    and name HA  ))
 ASSI {  856}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 67   and name HN  ))
      3.600     1.600     1.600 peak   856 spectrum    1 weight  0.10000E+01 volume  0.21099E-02 ppm1      1.132 ppm2      7.466 CV     1
 OR {  856}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 70   and name HN  ))
 ASSI {  860}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 40   and name HD% )
      3.100     1.200     1.200 peak   860 spectrum    1 weight  0.10000E+01 volume  0.12827E-02 ppm1      0.204 ppm2      6.946 CV     1
 OR {  860}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 35   and name HE% )
 ASSI {  863}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 52   and name HN  ))
      3.400     1.500     1.500 peak   863 spectrum    1 weight  0.10000E+01 volume  0.21413E-02 ppm1      1.038 ppm2      8.398 CV     1
 OR {  863}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 14   and name HN  ))
 ASSI {  865}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 10   and name HN  ))
      3.900     1.900     1.900 peak   865 spectrum    1 weight  0.10000E+01 volume  0.15919E-02 ppm1      1.041 ppm2      8.066 CV     1
 OR {  865}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 55   and name HN  ))
 ASSI {  868}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 15   and name HN  ))
      2.100     0.600     0.600 peak   868 spectrum    1 weight  0.10000E+01 volume  0.10392E-01 ppm1      1.110 ppm2      8.449 CV     1
 OR {  868}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 26   and name HN  ))
 ASSI {  869}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 16   and name HN  ))
      3.900     1.900     1.900 peak   869 spectrum    1 weight  0.10000E+01 volume  0.17798E-02 ppm1      1.110 ppm2      8.224 CV     1
 OR {  869}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 27   and name HN  ))
 ASSI {  870}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 7    and name HN  ))
      3.200     1.300     1.300 peak   870 spectrum    1 weight  0.10000E+01 volume  0.26015E-02 ppm1      1.381 ppm2      8.829 CV     1
 OR {  870}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 11   and name HN  ))
 ASSI {  873}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 45   and name HN  ))
      4.400     2.500     1.600 peak   873 spectrum    1 weight  0.10000E+01 volume  0.98242E-03 ppm1      0.354 ppm2      8.465 CV     1
 OR {  873}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 47   and name HN  ))
 ASSI {  874}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 45   and name HN  ))
      4.500     2.600     1.500 peak   874 spectrum    1 weight  0.10000E+01 volume  0.76537E-03 ppm1      0.202 ppm2      8.463 CV     1
 OR {  874}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 47   and name HN  ))
 ASSI {  878}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 82   and name HN  ))
      4.300     2.300     1.700 peak   878 spectrum    1 weight  0.10000E+01 volume  0.63972E-03 ppm1      0.880 ppm2      8.274 CV     1
 OR {  878}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 78   and name HN  ))
 ASSI {  888}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 13   and name HN  ))
      3.600     1.600     1.600 peak   888 spectrum    1 weight  0.10000E+01 volume  0.10181E-02 ppm1      1.038 ppm2      7.702 CV     1
 OR {  888}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 74   and name HN  ))
 OR {  888}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 13   and name HN  ))
 ASSI {  891}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 77   and name HN  ))
      4.600     2.700     1.400 peak   891 spectrum    1 weight  0.10000E+01 volume  0.48840E-03 ppm1      1.132 ppm2      8.012 CV     1
 OR {  891}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 66   and name HN  ))
 ASSI {  893}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 30   and name HE% )
      4.200     2.200     1.800 peak   893 spectrum    1 weight  0.10000E+01 volume  0.90718E-03 ppm1      0.688 ppm2      7.202 CV     1
 OR {  893}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 33   and name HN  ))
 ASSI {  894}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 40   and name HD% )
      4.400     2.500     1.600 peak   894 spectrum    1 weight  0.10000E+01 volume  0.55995E-03 ppm1      0.688 ppm2      6.947 CV     1
 OR {  894}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 35   and name HE% )
 ASSI {  911}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 49   and name HA  ))
      3.100     1.200     1.200 peak   911 spectrum    1 weight  0.10000E+01 volume  0.19758E-02 ppm1      1.066 ppm2      3.954 CV     1
 OR {  911}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 49   and name HA  ))
 OR {  911}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 65   and name HA  ))
 ASSI {  913}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 68   and name HB  ))
      4.200     2.300     1.800 peak   913 spectrum    1 weight  0.10000E+01 volume  0.48700E-03 ppm1      0.206 ppm2      2.415 CV     1
 OR {  913}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 74   and name HB1 ))
 ASSI {  914}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 40   and name HB1 ))
      3.900     1.900     1.900 peak   914 spectrum    1 weight  0.10000E+01 volume  0.65986E-03 ppm1      0.205 ppm2      3.014 CV     1
 OR {  914}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 69   and name HB1 ))
 ASSI {  915}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 40   and name HB2 ))
      4.000     2.000     2.000 peak   915 spectrum    1 weight  0.10000E+01 volume  0.75280E-03 ppm1      0.206 ppm2      2.762 CV     1
 OR {  915}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 46   and name HG2 ))
 ASSI {  921}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 55   and name HD2 ))
      3.100     1.200     1.200 peak   921 spectrum    1 weight  0.10000E+01 volume  0.12139E-02 ppm1      1.039 ppm2      3.020 CV     1
 OR {  921}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 9    and name HB1 ))
 ASSI {  929}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 75   and name HN  ))
      4.400     2.400     1.600 peak   929 spectrum    1 weight  0.10000E+01 volume  0.41277E-03 ppm1      0.453 ppm2      8.711 CV     1
 OR {  929}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 76   and name HN  ))
 ASSI {  930}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 66   and name HA2 ))
      2.900     1.000     1.000 peak   930 spectrum    1 weight  0.10000E+01 volume  0.28087E-02 ppm1      0.356 ppm2      3.884 CV     1
 OR {  930}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 45   and name HA  ))
 ASSI {  931}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 48   and name HB  ))
      4.700     2.700     1.300 peak   931 spectrum    1 weight  0.10000E+01 volume  0.66192E-03 ppm1      0.355 ppm2      4.395 CV     1
 OR {  931}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 35   and name HA  ))
 OR {  931}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 14   and name HA  ))
 ASSI {  935}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 14   and name HB1 ))
      4.300     2.300     1.700 peak   935 spectrum    1 weight  0.10000E+01 volume  0.88294E-03 ppm1      0.690 ppm2      1.986 CV     1
 OR {  935}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 71   and name HB2 ))
 ASSI {  940}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 75   and name HN  ))
      4.200     2.200     1.800 peak   940 spectrum    1 weight  0.10000E+01 volume  0.96478E-03 ppm1      0.791 ppm2      8.716 CV     1
 OR {  940}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 76   and name HN  ))
 ASSI {  942}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 57   and name HN  ))
      4.400     2.400     1.600 peak   942 spectrum    1 weight  0.10000E+01 volume  0.67718E-03 ppm1      0.984 ppm2      7.958 CV     1
 OR {  942}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 83   and name HN  ))
 ASSI {  944}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 79   and name HD21))
      2.900     1.100     1.100 peak   944 spectrum    1 weight  0.10000E+01 volume  0.33273E-02 ppm1      0.791 ppm2      7.322 CV     1
 OR {  944}
   (  segid "    " and resid 31   and name HD2%)
   (  segid "    " and resid 30   and name HD% )
 ASSI {  947}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 30   and name HN  ))
      4.200     2.300     1.800 peak   947 spectrum    1 weight  0.10000E+01 volume  0.61529E-03 ppm1      0.454 ppm2      8.050 CV     1
 OR {  947}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 32   and name HN  ))
 ASSI {  952}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 72   and name HH21))
      4.800     2.900     1.200 peak   952 spectrum    1 weight  0.10000E+01 volume  0.53235E-03 ppm1      0.457 ppm2      6.899 CV     1
 OR {  952}
   (  segid "    " and resid 31   and name HD1%)
   (  segid "    " and resid 35   and name HE% )
 OR {  952}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 35   and name HZ  ))
 OR {  952}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 72   and name HH11))
 OR {  952}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 72   and name HH22))
 ASSI {  957}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 6    and name HA  ))
      4.100     2.100     1.900 peak   957 spectrum    1 weight  0.10000E+01 volume  0.32971E-03 ppm1      0.791 ppm2      4.766 CV     1
 OR {  957}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 30   and name HA  ))
 ASSI {  958}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 5    and name HA  ))
      4.600     2.700     1.400 peak   958 spectrum    1 weight  0.10000E+01 volume  0.49374E-03 ppm1      0.791 ppm2      4.505 CV     1
 OR {  958}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 76   and name HA  ))
 ASSI {  960}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 10   and name HA  ))
      3.900     1.900     1.900 peak   960 spectrum    1 weight  0.10000E+01 volume  0.59003E-03 ppm1      0.791 ppm2      4.221 CV     1
 OR {  960}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 71   and name HA  ))
 OR {  960}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 73   and name HA  ))
 OR {  960}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 73   and name HA  ))
 OR {  960}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 82   and name HA  ))
 ASSI {  962}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 7    and name HA  ))
      3.500     1.500     1.500 peak   962 spectrum    1 weight  0.10000E+01 volume  0.10382E-02 ppm1      0.454 ppm2      3.869 CV     1
 OR {  962}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 75   and name HA  ))
 ASSI {  976}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 72   and name HB1 ))
      3.900     1.900     1.900 peak   976 spectrum    1 weight  0.10000E+01 volume  0.14596E-02 ppm1      0.455 ppm2      1.872 CV     1
 OR {  976}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 10   and name HG  ))
 ASSI {  977}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 78   and name HB  ))
      3.500     1.500     1.500 peak   977 spectrum    1 weight  0.10000E+01 volume  0.88082E-03 ppm1      0.793 ppm2      1.909 CV     1
 OR {  977}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 10   and name HG  ))
 OR {  977}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 10   and name HG  ))
 ASSI {  979}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 75   and name HB2 ))
      2.300     0.700     0.700 peak   979 spectrum    1 weight  0.10000E+01 volume  0.94079E-02 ppm1      0.791 ppm2      1.560 CV     1
 OR {  979}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 5    and name HB1 ))
 OR {  979}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 5    and name HG  ))
 ASSI {  980}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 5    and name HB2 ))
      2.200     0.600     0.600 peak   980 spectrum    1 weight  0.10000E+01 volume  0.38774E-02 ppm1      0.792 ppm2      1.370 CV     1
 OR {  980}
   (  segid "    " and resid 31   and name HD2%)
   (  segid "    " and resid 7    and name HG2%)
 ASSI {  981}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 31   and name HB1 ))
      2.800     1.000     1.000 peak   981 spectrum    1 weight  0.10000E+01 volume  0.34155E-02 ppm1      0.455 ppm2      1.629 CV     1
 OR {  981}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 72   and name HB2 ))
 ASSI {  988}
   (  segid "    " and resid 31   and name HD1%)
   (  segid "    " and resid 75   and name HD2%)
      2.600     0.900     0.900 peak   988 spectrum    1 weight  0.10000E+01 volume  0.48235E-02 ppm1      0.454 ppm2      0.880 CV     1
 OR {  988}
   (  segid "    " and resid 31   and name HD1%)
   (  segid "    " and resid 14   and name HD2%)
 ASSI {  993}
   (  segid "    " and resid 75   and name HD1%)
   (  segid "    " and resid 10   and name HD2%)
      2.800     1.000     1.000 peak   993 spectrum    1 weight  0.10000E+01 volume  0.26870E-02 ppm1      0.791 ppm2      1.132 CV     1
 OR {  993}
   (  segid "    " and resid 31   and name HD2%)
   (  segid "    " and resid 10   and name HD2%)
 ASSI {  994}
   (  segid "    " and resid 75   and name HD1%)
   (  segid "    " and resid 10   and name HD1%)
      2.800     1.000     1.000 peak   994 spectrum    1 weight  0.10000E+01 volume  0.26598E-02 ppm1      0.792 ppm2      1.066 CV     1
 OR {  994}
   (  segid "    " and resid 31   and name HD2%)
   (  segid "    " and resid 10   and name HD1%)
 OR {  994}
   (  segid "    " and resid 75   and name HD1%)
   (  segid "    " and resid 74   and name HD2%)
 OR {  994}
   (  segid "    " and resid 75   and name HD1%)
   (  segid "    " and resid 74   and name HD1%)
 ASSI {  996}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 82   and name HB2 ))
      2.800     1.000     1.000 peak   996 spectrum    1 weight  0.10000E+01 volume  0.68238E-02 ppm1      0.983 ppm2      1.556 CV     1
 OR {  996}
   (  segid "    " and resid 82   and name HD2%)
   (  segid "    " and resid 85   and name HB% )
 ASSI { 1013}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 52   and name HD2%)
      2.500     0.800     0.800 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.54257E-02 ppm1      0.605 ppm2      1.035 CV     1
 OR { 1013}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 10   and name HD1%)
 ASSI { 1016}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 52   and name HD1%)
      2.400     0.700     0.700 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.58626E-02 ppm1      0.604 ppm2      0.870 CV     1
 OR { 1016}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 78   and name HG2%)
 ASSI { 1017}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 52   and name HD1%)
      2.700     0.900     0.900 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.70559E-02 ppm1      0.643 ppm2      0.848 CV     1
 OR { 1017}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 78   and name HG2%)
 ASSI { 1018}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 78   and name HD1%)
      2.500     0.800     0.800 peak  1018 spectrum    1 weight  0.10000E+01 volume  0.48615E-02 ppm1      0.604 ppm2      0.799 CV     1
 OR { 1018}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 75   and name HD1%)
 ASSI { 1019}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 31   and name HB1 ))
      2.800     1.000     1.000 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.49201E-02 ppm1      0.779 ppm2      1.627 CV     1
 OR { 1019}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 72   and name HB2 ))
 ASSI { 1022}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 82   and name HB2 ))
      2.500     0.800     0.800 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.51391E-02 ppm1      0.978 ppm2      1.554 CV     1
 OR { 1022}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 5    and name HG  ))
 ASSI { 1030}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 78   and name HB  ))
      3.900     1.900     1.900 peak  1030 spectrum    1 weight  0.10000E+01 volume  0.96696E-03 ppm1      0.642 ppm2      1.926 CV     1
 OR { 1030}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 55   and name HB1 ))
 ASSI { 1034}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 10   and name HA  ))
      3.800     1.800     1.800 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.91167E-03 ppm1      0.642 ppm2      4.216 CV     1
 OR { 1034}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 82   and name HA  ))
 ASSI { 1036}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 9    and name HB1 ))
      3.100     1.200     1.200 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.20567E-02 ppm1      0.643 ppm2      3.035 CV     1
 OR { 1036}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 55   and name HD2 ))
 ASSI { 1038}
   (  segid "    " and resid 4    and name HD2%)
   (( segid "    " and resid 80   and name HA2 ))
      3.200     1.300     1.300 peak  1038 spectrum    1 weight  0.10000E+01 volume  0.15030E-02 ppm1      0.952 ppm2      4.005 CV     1
 OR { 1038}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 80   and name HA1 ))
 OR { 1038}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 61   and name HD1 ))
 OR { 1038}
   (  segid "    " and resid 4    and name HD2%)
   (( segid "    " and resid 80   and name HA1 ))
 ASSI { 1041}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 82   and name HA  ))
      3.900     1.900     1.900 peak  1041 spectrum    1 weight  0.10000E+01 volume  0.17451E-02 ppm1      0.977 ppm2      4.211 CV     1
 OR { 1041}
   (( segid "    " and resid 74   and name HG  ))
   (( segid "    " and resid 71   and name HA  ))
 ASSI { 1045}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 72   and name HH21))
      3.800     1.800     1.800 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.16409E-02 ppm1      0.776 ppm2      6.893 CV     1
 OR { 1045}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 72   and name HH22))
 OR { 1045}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 72   and name HH11))
 OR { 1045}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 72   and name HH12))
 OR { 1045}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 35   and name HZ  ))
 ASSI { 1046}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 26   and name HN  ))
      3.400     1.400     1.400 peak  1046 spectrum    1 weight  0.10000E+01 volume  0.77589E-03 ppm1      0.795 ppm2      8.448 CV     1
 OR { 1046}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 15   and name HN  ))
 ASSI { 1056}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 32   and name HN  ))
      3.300     1.400     1.400 peak  1056 spectrum    1 weight  0.10000E+01 volume  0.46079E-03 ppm1      1.055 ppm2      8.041 CV     1
 OR { 1056}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 30   and name HN  ))
 ASSI { 1061}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 10   and name HN  ))
      4.000     2.000     2.000 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.75678E-03 ppm1      0.642 ppm2      8.059 CV     1
 OR { 1061}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 55   and name HN  ))
 ASSI { 1062}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 10   and name HN  ))
      4.300     2.300     1.700 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.57826E-03 ppm1      0.602 ppm2      8.062 CV     1
 OR { 1062}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 55   and name HN  ))
 OR { 1062}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 54   and name HN  ))
 ASSI { 1069}
   (  segid "    " and resid 26   and name HD2%)
   (  segid "    " and resid 30   and name HD% )
      4.700     2.700     1.300 peak  1069 spectrum    1 weight  0.10000E+01 volume  0.48092E-03 ppm1      0.801 ppm2      7.311 CV     1
 OR { 1069}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 11   and name HE  ))
 ASSI { 1075}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 10   and name HA  ))
      3.700     1.700     1.700 peak  1075 spectrum    1 weight  0.10000E+01 volume  0.86043E-03 ppm1      0.607 ppm2      4.215 CV     1
 OR { 1075}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 82   and name HA  ))
 ASSI { 1082}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 30   and name HB1 ))
      2.700     2.700     3.300 peak  1082 spectrum    1 weight  0.10000E+01 volume  0.17681E-02 ppm1      1.060 ppm2      3.293 CV     1
 OR { 1082}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 31   and name HA  ))
 ASSI { 1083}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 32   and name HB1 ))
      2.900     1.000     1.000 peak  1083 spectrum    1 weight  0.10000E+01 volume  0.11882E-02 ppm1      1.059 ppm2      3.004 CV     1
 OR { 1083}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 30   and name HB2 ))
 OR { 1083}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 37   and name HB2 ))
 ASSI { 1095}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 79   and name HD21))
      3.700     1.700     1.700 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.23286E-02 ppm1      0.873 ppm2      7.321 CV     1
 OR { 1095}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 79   and name HD21))
 ASSI { 1096}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 52   and name HN  ))
      4.000     2.000     2.000 peak  1096 spectrum    1 weight  0.10000E+01 volume  0.15154E-02 ppm1      0.886 ppm2      8.397 CV     1
 OR { 1096}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 14   and name HN  ))
 ASSI { 1098}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 78   and name HN  ))
      4.800     2.900     1.200 peak  1098 spectrum    1 weight  0.10000E+01 volume  0.35058E-03 ppm1      0.866 ppm2      8.263 CV     1
 OR { 1098}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 78   and name HN  ))
 OR { 1098}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 82   and name HN  ))
 ASSI { 1099}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 10   and name HN  ))
      4.200     2.200     1.800 peak  1099 spectrum    1 weight  0.10000E+01 volume  0.58961E-03 ppm1      0.865 ppm2      8.084 CV     1
 OR { 1099}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 51   and name HN  ))
 OR { 1099}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 55   and name HN  ))
 ASSI { 1102}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 7    and name HN  ))
      3.900     1.900     1.900 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.76666E-03 ppm1      0.869 ppm2      8.854 CV     1
 OR { 1102}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 79   and name HN  ))
 OR { 1102}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 79   and name HN  ))
 ASSI { 1103}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 75   and name HN  ))
      3.100     1.200     1.200 peak  1103 spectrum    1 weight  0.10000E+01 volume  0.27618E-02 ppm1      0.871 ppm2      8.717 CV     1
 OR { 1103}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 76   and name HN  ))
 ASSI { 1107}
   (( segid "    " and resid 74   and name HG  ))
   (( segid "    " and resid 75   and name HN  ))
      4.600     2.700     1.400 peak  1107 spectrum    1 weight  0.10000E+01 volume  0.52271E-03 ppm1      0.977 ppm2      8.735 CV     1
 OR { 1107}
   (( segid "    " and resid 74   and name HG  ))
   (( segid "    " and resid 49   and name HN  ))
 ASSI { 1111}
   (( segid "    " and resid 4    and name HG  ))
   (( segid "    " and resid 4    and name HN  ))
      2.700     0.900     0.900 peak  1111 spectrum    1 weight  0.10000E+01 volume  0.40977E-02 ppm1      1.712 ppm2      8.145 CV     1
 OR { 1111}
   (( segid "    " and resid 43   and name HG  ))
   (( segid "    " and resid 44   and name HN  ))
 ASSI { 1112}
   (( segid "    " and resid 26   and name HG  ))
   (( segid "    " and resid 26   and name HN  ))
      3.800     1.800     1.800 peak  1112 spectrum    1 weight  0.10000E+01 volume  0.18377E-02 ppm1      1.578 ppm2      8.460 CV     1
 OR { 1112}
   (( segid "    " and resid 26   and name HG  ))
   (( segid "    " and resid 15   and name HN  ))
 ASSI { 1113}
   (( segid "    " and resid 75   and name HG  ))
   (( segid "    " and resid 76   and name HN  ))
      4.000     2.000     2.000 peak  1113 spectrum    1 weight  0.10000E+01 volume  0.83317E-03 ppm1      1.685 ppm2      8.717 CV     1
 OR { 1113}
   (( segid "    " and resid 75   and name HG  ))
   (( segid "    " and resid 75   and name HN  ))
 ASSI { 1115}
   (( segid "    " and resid 82   and name HG  ))
   (( segid "    " and resid 82   and name HN  ))
      2.400     0.700     0.700 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.36936E-02 ppm1      1.836 ppm2      8.275 CV     1
 OR { 1115}
   (( segid "    " and resid 77   and name HG  ))
   (( segid "    " and resid 78   and name HN  ))
 ASSI { 1119}
   (( segid "    " and resid 38   and name HG11))
   (( segid "    " and resid 38   and name HN  ))
      3.100     1.200     1.200 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.32732E-02 ppm1      1.826 ppm2      7.713 CV     1
 OR { 1119}
   (( segid "    " and resid 38   and name HG11))
   (( segid "    " and resid 39   and name HN  ))
 ASSI { 1120}
   (( segid "    " and resid 38   and name HG12))
   (( segid "    " and resid 38   and name HN  ))
      2.200     0.600     0.600 peak  1120 spectrum    1 weight  0.10000E+01 volume  0.35211E-02 ppm1      1.537 ppm2      7.713 CV     1
 OR { 1120}
   (( segid "    " and resid 38   and name HG12))
   (( segid "    " and resid 39   and name HN  ))
 ASSI { 1133}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 11   and name HE  ))
      3.600     1.600     1.600 peak  1133 spectrum    1 weight  0.10000E+01 volume  0.86838E-03 ppm1      1.166 ppm2      7.320 CV     1
 OR { 1133}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 30   and name HZ  ))
 ASSI { 1144}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 46   and name HA  ))
      3.500     1.600     1.600 peak  1144 spectrum    1 weight  0.10000E+01 volume  0.10984E-02 ppm1      1.346 ppm2      4.268 CV     1
 OR { 1144}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 42   and name HA  ))
 ASSI { 1146}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 45   and name HA  ))
      3.300     1.400     1.400 peak  1146 spectrum    1 weight  0.10000E+01 volume  0.11304E-02 ppm1      1.346 ppm2      3.883 CV     1
 OR { 1146}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 66   and name HA2 ))
 ASSI { 1150}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 14   and name HA  ))
      4.100     2.100     1.900 peak  1150 spectrum    1 weight  0.10000E+01 volume  0.13875E-02 ppm1      0.891 ppm2      4.389 CV     1
 OR { 1150}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 35   and name HA  ))
 OR { 1150}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 26   and name HA  ))
 ASSI { 1151}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 71   and name HA  ))
      3.900     1.900     1.900 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.87653E-03 ppm1      0.892 ppm2      4.219 CV     1
 OR { 1151}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 24   and name HB  ))
 ASSI { 1154}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 10   and name HA  ))
      3.100     1.200     1.200 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.14087E-02 ppm1      0.868 ppm2      4.213 CV     1
 OR { 1154}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 51   and name HA  ))
 ASSI { 1156}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 75   and name HA  ))
      3.300     1.400     1.400 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.33501E-02 ppm1      0.870 ppm2      3.888 CV     1
 OR { 1156}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 7    and name HA  ))
 ASSI { 1162}
   (( segid "    " and resid 38   and name HG11))
   (( segid "    " and resid 38   and name HA  ))
      4.100     2.100     1.900 peak  1162 spectrum    1 weight  0.10000E+01 volume  0.68372E-03 ppm1      1.825 ppm2      4.668 CV     1
 OR { 1162}
   (( segid "    " and resid 82   and name HG  ))
   (( segid "    " and resid 56   and name HA  ))
 ASSI { 1164}
   (( segid "    " and resid 38   and name HG11))
   (( segid "    " and resid 35   and name HA  ))
      3.000     1.100     1.100 peak  1164 spectrum    1 weight  0.10000E+01 volume  0.28748E-02 ppm1      1.826 ppm2      4.371 CV     1
 OR { 1164}
   (( segid "    " and resid 82   and name HG  ))
   (( segid "    " and resid 4    and name HA  ))
 ASSI { 1165}
   (( segid "    " and resid 4    and name HG  ))
   (( segid "    " and resid 4    and name HA  ))
      3.200     1.300     1.300 peak  1165 spectrum    1 weight  0.10000E+01 volume  0.23990E-02 ppm1      1.708 ppm2      4.357 CV     1
 OR { 1165}
   (( segid "    " and resid 4    and name HG  ))
   (( segid "    " and resid 3    and name HA  ))
 ASSI { 1170}
   (( segid "    " and resid 14   and name HG  ))
   (( segid "    " and resid 14   and name HA  ))
      3.500     1.500     1.500 peak  1170 spectrum    1 weight  0.10000E+01 volume  0.10117E-02 ppm1      1.881 ppm2      4.392 CV     1
 OR { 1170}
   (( segid "    " and resid 14   and name HG  ))
   (( segid "    " and resid 18   and name HA  ))
 OR { 1170}
   (( segid "    " and resid 14   and name HG  ))
   (( segid "    " and resid 48   and name HB  ))
 ASSI { 1171}
   (( segid "    " and resid 77   and name HG  ))
   (( segid "    " and resid 77   and name HA  ))
      3.200     1.300     1.300 peak  1171 spectrum    1 weight  0.10000E+01 volume  0.21408E-02 ppm1      1.822 ppm2      4.264 CV     1
 OR { 1171}
   (( segid "    " and resid 77   and name HG  ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI { 1176}
   (( segid "    " and resid 52   and name HG  ))
   (( segid "    " and resid 49   and name HA  ))
      3.700     1.700     1.700 peak  1176 spectrum    1 weight  0.10000E+01 volume  0.70264E-03 ppm1      2.035 ppm2      3.950 CV     1
 OR { 1176}
   (( segid "    " and resid 52   and name HG  ))
   (( segid "    " and resid 48   and name HA  ))
 ASSI { 1178}
   (( segid "    " and resid 71   and name HG1 ))
   (( segid "    " and resid 30   and name HB1 ))
      4.500     2.500     1.500 peak  1178 spectrum    1 weight  0.10000E+01 volume  0.11519E-02 ppm1      2.171 ppm2      3.305 CV     1
 OR { 1178}
   (( segid "    " and resid 71   and name HG1 ))
   (( segid "    " and resid 31   and name HA  ))
 ASSI { 1181}
   (( segid "    " and resid 38   and name HG11))
   (( segid "    " and resid 40   and name HB1 ))
      4.500     2.600     1.500 peak  1181 spectrum    1 weight  0.10000E+01 volume  0.77628E-03 ppm1      1.828 ppm2      3.010 CV     1
 OR { 1181}
   (( segid "    " and resid 38   and name HG11))
   (( segid "    " and resid 37   and name HB2 ))
 ASSI { 1182}
   (( segid "    " and resid 38   and name HG11))
   (( segid "    " and resid 38   and name HB  ))
      2.500     0.800     0.800 peak  1182 spectrum    1 weight  0.10000E+01 volume  0.27759E-02 ppm1      1.826 ppm2      2.456 CV     1
 OR { 1182}
   (( segid "    " and resid 77   and name HG  ))
   (( segid "    " and resid 73   and name HB1 ))
 ASSI { 1196}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 30   and name HB1 ))
      3.600     1.700     1.700 peak  1196 spectrum    1 weight  0.10000E+01 volume  0.67442E-03 ppm1      1.295 ppm2      3.304 CV     1
 OR { 1196}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 31   and name HA  ))
 ASSI { 1199}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 53   and name HG1 ))
      4.000     2.000     2.000 peak  1199 spectrum    1 weight  0.10000E+01 volume  0.10067E-02 ppm1      0.871 ppm2      2.760 CV     1
 OR { 1199}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 79   and name HB2 ))
 OR { 1199}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 56   and name HB2 ))
 ASSI { 1202}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 75   and name HB1 ))
      2.200     0.600     0.600 peak  1202 spectrum    1 weight  0.10000E+01 volume  0.11366E-01 ppm1      0.869 ppm2      2.199 CV     1
 OR { 1202}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 52   and name HB1 ))
 ASSI { 1207}
   (( segid "    " and resid 77   and name HG  ))
   (( segid "    " and resid 77   and name HB1 ))
      2.400     0.700     0.700 peak  1207 spectrum    1 weight  0.10000E+01 volume  0.94034E-02 ppm1      1.825 ppm2      2.027 CV     1
 OR { 1207}
   (( segid "    " and resid 82   and name HG  ))
   (( segid "    " and resid 82   and name HB1 ))
 ASSI { 1208}
   (( segid "    " and resid 52   and name HG  ))
   (( segid "    " and resid 52   and name HB1 ))
      3.100     1.200     1.200 peak  1208 spectrum    1 weight  0.10000E+01 volume  0.19622E-02 ppm1      2.032 ppm2      2.217 CV     1
 OR { 1208}
   (( segid "    " and resid 52   and name HG  ))
   (( segid "    " and resid 51   and name HB1 ))
 ASSI { 1210}
   (( segid "    " and resid 71   and name HG1 ))
   (  segid "    " and resid 14   and name HD2%)
      2.900     1.100     1.100 peak  1210 spectrum    1 weight  0.10000E+01 volume  0.12821E-02 ppm1      2.168 ppm2      0.876 CV     1
 OR { 1210}
   (( segid "    " and resid 71   and name HG1 ))
   (  segid "    " and resid 38   and name HD1%)
 ASSI { 1214}
   (( segid "    " and resid 38   and name HG11))
   (  segid "    " and resid 38   and name HG2%)
      3.400     1.400     1.400 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.28491E-02 ppm1      1.827 ppm2      1.056 CV     1
 OR { 1214}
   (( segid "    " and resid 77   and name HG  ))
   (  segid "    " and resid 74   and name HD2%)
 ASSI { 1219}
   (( segid "    " and resid 82   and name HG  ))
   (  segid "    " and resid 78   and name HG2%)
      2.000     0.500     0.500 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.68084E-02 ppm1      1.829 ppm2      0.869 CV     1
 OR { 1219}
   (( segid "    " and resid 38   and name HG11))
   (  segid "    " and resid 38   and name HD1%)
 ASSI { 1231}
   (( segid "    " and resid 38   and name HG11))
   (( segid "    " and resid 38   and name HG12))
      1.700     0.300     0.500 peak  1231 spectrum    1 weight  0.10000E+01 volume  0.10912E-01 ppm1      1.828 ppm2      1.542 CV     1
 OR { 1231}
   (( segid "    " and resid 82   and name HG  ))
   (( segid "    " and resid 82   and name HB2 ))
 ASSI { 1232}
   (( segid "    " and resid 14   and name HG  ))
   (( segid "    " and resid 14   and name HB2 ))
      3.500     1.500     1.500 peak  1232 spectrum    1 weight  0.10000E+01 volume  0.10225E-02 ppm1      1.880 ppm2      1.450 CV     1
 OR { 1232}
   (( segid "    " and resid 10   and name HG  ))
   (( segid "    " and resid 14   and name HB2 ))
 ASSI { 1243}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 45   and name HB1 ))
      2.200     0.600     0.600 peak  1243 spectrum    1 weight  0.10000E+01 volume  0.68315E-02 ppm1      1.358 ppm2      1.615 CV     1
 OR { 1243}
   (( segid "    " and resid 55   and name HG1 ))
   (( segid "    " and resid 55   and name HB2 ))
 ASSI { 1244}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 45   and name HB2 ))
      2.600     0.800     0.800 peak  1244 spectrum    1 weight  0.10000E+01 volume  0.59557E-02 ppm1      1.347 ppm2      1.511 CV     1
 OR { 1244}
   (( segid "    " and resid 45   and name HG  ))
   (  segid "    " and resid 49   and name HB% )
 ASSI { 1246}
   (( segid "    " and resid 31   and name HG  ))
   (( segid "    " and resid 31   and name HB1 ))
      2.500     0.800     0.800 peak  1246 spectrum    1 weight  0.10000E+01 volume  0.36477E-02 ppm1      1.199 ppm2      1.633 CV     1
 OR { 1246}
   (( segid "    " and resid 31   and name HG  ))
   (( segid "    " and resid 72   and name HB2 ))
 ASSI { 1254}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 14   and name HD2%)
      3.400     1.500     1.500 peak  1254 spectrum    1 weight  0.10000E+01 volume  0.11266E-02 ppm1      1.302 ppm2      0.874 CV     1
 OR { 1254}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 38   and name HD1%)
 ASSI { 1258}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 26   and name HB1 ))
      3.100     1.200     1.200 peak  1258 spectrum    1 weight  0.10000E+01 volume  0.51733E-02 ppm1      0.799 ppm2      1.452 CV     1
 OR { 1258}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 14   and name HB2 ))
 ASSI { 1261}
   (  segid "    " and resid 52   and name HD1%)
   (  segid "    " and resid 48   and name HG2%)
      2.400     0.700     0.700 peak  1261 spectrum    1 weight  0.10000E+01 volume  0.69944E-02 ppm1      0.866 ppm2      1.138 CV     1
 OR { 1261}
   (  segid "    " and resid 52   and name HD1%)
   (  segid "    " and resid 10   and name HD2%)
 OR { 1261}
   (  segid "    " and resid 75   and name HD2%)
   (  segid "    " and resid 10   and name HD2%)
 ASSI { 1262}
   (  segid "    " and resid 52   and name HD1%)
   (  segid "    " and resid 52   and name HD2%)
      2.200     0.600     0.600 peak  1262 spectrum    1 weight  0.10000E+01 volume  0.11166E-01 ppm1      0.864 ppm2      1.054 CV     1
 OR { 1262}
   (  segid "    " and resid 52   and name HD1%)
   (  segid "    " and resid 74   and name HD1%)
 OR { 1262}
   (  segid "    " and resid 52   and name HD1%)
   (  segid "    " and resid 10   and name HD1%)
 ASSI { 1264}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 75   and name HG  ))
      1.900     0.500     0.500 peak  1264 spectrum    1 weight  0.10000E+01 volume  0.24072E-01 ppm1      0.871 ppm2      1.687 CV     1
 OR { 1264}
   (  segid "    " and resid 52   and name HD1%)
   (  segid "    " and resid 13   and name HB% )
 ASSI { 1265}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 75   and name HB2 ))
      2.400     0.700     0.700 peak  1265 spectrum    1 weight  0.10000E+01 volume  0.86152E-02 ppm1      0.871 ppm2      1.543 CV     1
 OR { 1265}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 10   and name HB2 ))
 OR { 1265}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 5    and name HG  ))
 OR { 1265}
   (  segid "    " and resid 52   and name HD1%)
   (  segid "    " and resid 49   and name HB% )
 ASSI { 1267}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 5    and name HB2 ))
      3.100     1.200     1.200 peak  1267 spectrum    1 weight  0.10000E+01 volume  0.43781E-02 ppm1      0.869 ppm2      1.388 CV     1
 OR { 1267}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 5    and name HB2 ))
 ASSI { 1275}
   (( segid "    " and resid 77   and name HG  ))
   (  segid "    " and resid 77   and name HD1%)
      2.900     1.100     1.100 peak  1275 spectrum    1 weight  0.10000E+01 volume  0.14044E-02 ppm1      1.815 ppm2      0.966 CV     1
 OR { 1275}
   (( segid "    " and resid 77   and name HG  ))
   (  segid "    " and resid 77   and name HD2%)
 OR { 1275}
   (( segid "    " and resid 77   and name HG  ))
   (  segid "    " and resid 64   and name HG1%)
 ASSI { 1277}
   (( segid "    " and resid 75   and name HG  ))
   (  segid "    " and resid 4    and name HD2%)
      3.700     1.800     1.800 peak  1277 spectrum    1 weight  0.10000E+01 volume  0.19562E-02 ppm1      1.696 ppm2      0.968 CV     1
 OR { 1277}
   (( segid "    " and resid 75   and name HG  ))
   (  segid "    " and resid 82   and name HD1%)
 OR { 1277}
   (( segid "    " and resid 75   and name HG  ))
   (  segid "    " and resid 77   and name HD2%)
 OR { 1277}
   (( segid "    " and resid 75   and name HG  ))
   (( segid "    " and resid 74   and name HG  ))
 OR { 1277}
   (( segid "    " and resid 75   and name HG  ))
   (  segid "    " and resid 77   and name HD1%)
 OR { 1277}
   (( segid "    " and resid 75   and name HG  ))
   (  segid "    " and resid 82   and name HD2%)
 ASSI { 1283}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 23   and name HA1 ))
      4.000     2.000     2.000 peak  1283 spectrum    1 weight  0.10000E+01 volume  0.29926E-03 ppm1      0.800 ppm2      4.062 CV     1
 OR { 1283}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 23   and name HA2 ))
 OR { 1283}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 17   and name HB2 ))
 ASSI { 1284}
   (( segid "    " and resid 77   and name HG  ))
   (( segid "    " and resid 76   and name HB1 ))
      3.300     1.300     1.300 peak  1284 spectrum    1 weight  0.10000E+01 volume  0.40612E-03 ppm1      1.820 ppm2      2.769 CV     1
 OR { 1284}
   (( segid "    " and resid 38   and name HG11))
   (( segid "    " and resid 40   and name HB2 ))
 ASSI { 1287}
   (( segid "    " and resid 82   and name HG  ))
   (( segid "    " and resid 81   and name HN  ))
      4.600     2.600     1.400 peak  1287 spectrum    1 weight  0.10000E+01 volume  0.50593E-03 ppm1      1.824 ppm2      7.565 CV     1
 OR { 1287}
   (( segid "    " and resid 38   and name HG11))
   (( segid "    " and resid 37   and name HN  ))
 ASSI { 1295}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 34   and name HN  ))
      3.700     1.700     1.700 peak  1295 spectrum    1 weight  0.10000E+01 volume  0.15956E-02 ppm1      1.622 ppm2      8.459 CV     1
 OR { 1295}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 35   and name HN  ))
 ASSI { 1298}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 6    and name HN  ))
      4.400     2.400     1.600 peak  1298 spectrum    1 weight  0.10000E+01 volume  0.25144E-03 ppm1      1.119 ppm2      9.009 CV     1
 OR { 1298}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 72   and name HN  ))
 ASSI { 1307}
   (( segid "    " and resid 34   and name HG1 ))
   (( segid "    " and resid 34   and name HN  ))
      2.800     1.000     1.000 peak  1307 spectrum    1 weight  0.10000E+01 volume  0.17021E-02 ppm1      1.939 ppm2      8.458 CV     1
 OR { 1307}
   (( segid "    " and resid 34   and name HG1 ))
   (( segid "    " and resid 35   and name HN  ))
 ASSI { 1311}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 11   and name HE  ))
      3.300     1.300     1.300 peak  1311 spectrum    1 weight  0.10000E+01 volume  0.11302E-02 ppm1      1.402 ppm2      7.319 CV     1
 OR { 1311}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 30   and name HZ  ))
 ASSI { 1314}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 13   and name HN  ))
      4.400     2.400     1.600 peak  1314 spectrum    1 weight  0.10000E+01 volume  0.51265E-03 ppm1      1.124 ppm2      7.707 CV     1
 OR { 1314}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 74   and name HN  ))
 ASSI { 1318}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 75   and name HA  ))
      3.300     1.300     1.300 peak  1318 spectrum    1 weight  0.10000E+01 volume  0.23247E-02 ppm1      1.124 ppm2      3.879 CV     1
 OR { 1318}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 7    and name HA  ))
 ASSI { 1321}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 10   and name HA  ))
      3.100     1.200     1.200 peak  1321 spectrum    1 weight  0.10000E+01 volume  0.27512E-02 ppm1      1.124 ppm2      4.220 CV     1
 OR { 1321}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 71   and name HA  ))
 ASSI { 1323}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 31   and name HA  ))
      4.500     2.600     1.500 peak  1323 spectrum    1 weight  0.10000E+01 volume  0.49996E-03 ppm1      1.125 ppm2      3.310 CV     1
 OR { 1323}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 30   and name HB1 ))
 ASSI { 1349}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 12   and name HD2 ))
      2.600     0.900     0.900 peak  1349 spectrum    1 weight  0.10000E+01 volume  0.37168E-02 ppm1      1.925 ppm2      3.343 CV     1
 OR { 1349}
   (( segid "    " and resid 34   and name HG1 ))
   (( segid "    " and resid 34   and name HD2 ))
 OR { 1349}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 12   and name HD1 ))
 ASSI { 1361}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 71   and name HB1 ))
      2.600     0.800     0.800 peak  1361 spectrum    1 weight  0.10000E+01 volume  0.38190E-02 ppm1      1.123 ppm2      2.232 CV     1
 OR { 1361}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 52   and name HB1 ))
 ASSI { 1362}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 14   and name HB1 ))
      3.300     1.400     1.400 peak  1362 spectrum    1 weight  0.10000E+01 volume  0.21426E-02 ppm1      1.122 ppm2      2.005 CV     1
 OR { 1362}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 71   and name HB2 ))
 ASSI { 1366}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 13   and name HB% )
      3.500     1.500     1.500 peak  1366 spectrum    1 weight  0.10000E+01 volume  0.23789E-02 ppm1      1.124 ppm2      1.692 CV     1
 OR { 1366}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 74   and name HB2 ))
 OR { 1366}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 75   and name HG  ))
 ASSI { 1367}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 10   and name HB2 ))
      2.400     0.700     0.700 peak  1367 spectrum    1 weight  0.10000E+01 volume  0.74151E-02 ppm1      1.123 ppm2      1.557 CV     1
 OR { 1367}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 75   and name HB2 ))
 ASSI { 1379}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 52   and name HD1%)
      2.700     0.900     0.900 peak  1379 spectrum    1 weight  0.10000E+01 volume  0.50461E-02 ppm1      1.123 ppm2      0.867 CV     1
 OR { 1379}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 14   and name HD2%)
 OR { 1379}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 75   and name HD2%)
 ASSI { 1380}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 75   and name HD1%)
      2.500     0.800     0.800 peak  1380 spectrum    1 weight  0.10000E+01 volume  0.60462E-02 ppm1      1.123 ppm2      0.786 CV     1
 OR { 1380}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 14   and name HD1%)
 OR { 1380}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 78   and name HD1%)
 OR { 1380}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 31   and name HD2%)
 ASSI { 1382}
   (( segid "    " and resid 5    and name HG  ))
   (  segid "    " and resid 75   and name HD1%)
      3.600     1.600     1.600 peak  1382 spectrum    1 weight  0.10000E+01 volume  0.17089E-02 ppm1      1.561 ppm2      0.794 CV     1
 OR { 1382}
   (( segid "    " and resid 5    and name HG  ))
   (  segid "    " and resid 78   and name HD1%)
 ASSI { 1388}
   (( segid "    " and resid 78   and name HG12))
   (  segid "    " and resid 78   and name HD1%)
      2.300     0.700     0.700 peak  1388 spectrum    1 weight  0.10000E+01 volume  0.49759E-02 ppm1      1.282 ppm2      0.814 CV     1
 OR { 1388}
   (( segid "    " and resid 78   and name HG12))
   (  segid "    " and resid 60   and name HD1%)
 ASSI { 1395}
   (( segid "    " and resid 78   and name HG11))
   (( segid "    " and resid 78   and name HB  ))
      2.400     0.700     0.700 peak  1395 spectrum    1 weight  0.10000E+01 volume  0.31558E-02 ppm1      1.726 ppm2      1.930 CV     1
 OR { 1395}
   (( segid "    " and resid 78   and name HG11))
   (( segid "    " and resid 77   and name HB2 ))
 ASSI { 1396}
   (( segid "    " and resid 78   and name HG12))
   (( segid "    " and resid 78   and name HB  ))
      3.000     1.100     1.100 peak  1396 spectrum    1 weight  0.10000E+01 volume  0.29421E-02 ppm1      1.283 ppm2      1.929 CV     1
 OR { 1396}
   (( segid "    " and resid 78   and name HG12))
   (( segid "    " and resid 77   and name HB2 ))
 ASSI { 1401}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HB1 ))
      1.900     0.400     0.400 peak  1401 spectrum    1 weight  0.10000E+01 volume  0.91648E-02 ppm1      2.348 ppm2      2.495 CV     1
 OR { 1401}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 47   and name HG2 ))
 ASSI { 1412}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 73   and name HG1 ))
      2.500     0.800     0.800 peak  1412 spectrum    1 weight  0.10000E+01 volume  0.49751E-02 ppm1      2.264 ppm2      2.628 CV     1
 OR { 1412}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HG1 ))
 ASSI { 1413}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 73   and name HB1 ))
      1.600     0.300     0.600 peak  1413 spectrum    1 weight  0.10000E+01 volume  0.16620E-01 ppm1      2.272 ppm2      2.472 CV     1
 OR { 1413}
   (( segid "    " and resid 84   and name HB1 ))
   (( segid "    " and resid 84   and name HG2 ))
 ASSI { 1414}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 20   and name HG1 ))
      2.200     0.600     0.600 peak  1414 spectrum    1 weight  0.10000E+01 volume  0.14540E-01 ppm1      2.243 ppm2      2.408 CV     1
 OR { 1414}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 20   and name HG2 ))
 OR { 1414}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HG2 ))
 ASSI { 1415}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 73   and name HG2 ))
      2.300     0.700     0.700 peak  1415 spectrum    1 weight  0.10000E+01 volume  0.93425E-02 ppm1      2.257 ppm2      2.503 CV     1
 OR { 1415}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 36   and name HG2 ))
 OR { 1415}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 36   and name HG1 ))
 ASSI { 1423}
   (( segid "    " and resid 53   and name HB1 ))
   (  segid "    " and resid 60   and name HD1%)
      5.000     3.200     1.000 peak  1423 spectrum    1 weight  0.10000E+01 volume  0.26957E-03 ppm1      2.514 ppm2      0.824 CV     1
 OR { 1423}
   (( segid "    " and resid 53   and name HB1 ))
   (  segid "    " and resid 78   and name HD1%)
 ASSI { 1425}
   (( segid "    " and resid 53   and name HB2 ))
   (  segid "    " and resid 60   and name HD1%)
      5.200     3.400     0.800 peak  1425 spectrum    1 weight  0.10000E+01 volume  0.29417E-03 ppm1      2.362 ppm2      0.840 CV     1
 OR { 1425}
   (( segid "    " and resid 53   and name HB2 ))
   (  segid "    " and resid 52   and name HD1%)
 ASSI { 1429}
   (( segid "    " and resid 53   and name HB2 ))
   (  segid "    " and resid 50   and name HB% )
      4.100     2.100     1.900 peak  1429 spectrum    1 weight  0.10000E+01 volume  0.56356E-03 ppm1      2.345 ppm2      1.637 CV     1
 OR { 1429}
   (( segid "    " and resid 47   and name HB1 ))
   (  segid "    " and resid 50   and name HB% )
 OR { 1429}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 55   and name HB2 ))
 OR { 1429}
   (( segid "    " and resid 53   and name HB2 ))
   (  segid "    " and resid 81   and name HB% )
 ASSI { 1430}
   (( segid "    " and resid 53   and name HB2 ))
   (  segid "    " and resid 49   and name HB% )
      4.300     2.300     1.700 peak  1430 spectrum    1 weight  0.10000E+01 volume  0.50226E-03 ppm1      2.343 ppm2      1.525 CV     1
 OR { 1430}
   (( segid "    " and resid 47   and name HB1 ))
   (  segid "    " and resid 44   and name HB% )
 ASSI { 1434}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 53   and name HA  ))
      2.700     0.900     0.900 peak  1434 spectrum    1 weight  0.10000E+01 volume  0.24098E-02 ppm1      2.514 ppm2      4.087 CV     1
 OR { 1434}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 54   and name HB2 ))
 OR { 1434}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 57   and name HA2 ))
 ASSI { 1435}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HA  ))
      3.000     1.200     1.200 peak  1435 spectrum    1 weight  0.10000E+01 volume  0.25713E-02 ppm1      2.354 ppm2      4.082 CV     1
 OR { 1435}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 54   and name HB2 ))
 OR { 1435}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 54   and name HB1 ))
 OR { 1435}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 17   and name HB2 ))
 ASSI { 1438}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 50   and name HA  ))
      2.600     0.900     0.900 peak  1438 spectrum    1 weight  0.10000E+01 volume  0.41511E-02 ppm1      2.346 ppm2      4.241 CV     1
 OR { 1438}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 47   and name HA  ))
 ASSI { 1439}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HA  ))
      2.600     0.900     0.900 peak  1439 spectrum    1 weight  0.10000E+01 volume  0.40495E-02 ppm1      2.263 ppm2      4.219 CV     1
 OR { 1439}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI { 1455}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 73   and name HN  ))
      2.600     0.900     0.900 peak  1455 spectrum    1 weight  0.10000E+01 volume  0.29512E-02 ppm1      2.266 ppm2      7.830 CV     1
 OR { 1455}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 17   and name HN  ))
 OR { 1455}
   (( segid "    " and resid 84   and name HB1 ))
   (( segid "    " and resid 85   and name HN  ))
 ASSI { 1458}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
      3.100     1.200     1.200 peak  1458 spectrum    1 weight  0.10000E+01 volume  0.14470E-02 ppm1      2.139 ppm2      7.817 CV     1
 OR { 1458}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 85   and name HN  ))
 ASSI { 1459}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 39   and name HN  ))
      6.000     4.600     0.000 peak  1459 spectrum    1 weight  0.10000E+01 volume  0.82534E-04 ppm1      2.133 ppm2      7.725 CV     1
 OR { 1459}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 38   and name HN  ))
 ASSI { 1462}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 54   and name HN  ))
      3.700     1.800     1.800 peak  1462 spectrum    1 weight  0.10000E+01 volume  0.10238E-02 ppm1      2.516 ppm2      8.042 CV     1
 OR { 1462}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 55   and name HN  ))
 ASSI { 1463}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 54   and name HN  ))
      3.100     1.200     1.200 peak  1463 spectrum    1 weight  0.10000E+01 volume  0.11140E-02 ppm1      2.356 ppm2      8.038 CV     1
 OR { 1463}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 55   and name HN  ))
 ASSI { 1465}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 50   and name HN  ))
      5.300     3.500     0.700 peak  1465 spectrum    1 weight  0.10000E+01 volume  0.14406E-03 ppm1      2.341 ppm2      8.222 CV     1
 OR { 1465}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 46   and name HN  ))
 OR { 1465}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 50   and name HN  ))
 ASSI { 1467}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 21   and name HN  ))
      4.700     2.700     1.300 peak  1467 spectrum    1 weight  0.10000E+01 volume  0.51785E-03 ppm1      2.076 ppm2      8.243 CV     1
 OR { 1467}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 19   and name HN  ))
 ASSI { 1468}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HN  ))
      3.200     1.300     1.300 peak  1468 spectrum    1 weight  0.10000E+01 volume  0.25874E-02 ppm1      2.252 ppm2      8.219 CV     1
 OR { 1468}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 21   and name HN  ))
 ASSI { 1470}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 35   and name HN  ))
      3.100     1.200     1.200 peak  1470 spectrum    1 weight  0.10000E+01 volume  0.12166E-02 ppm1      2.172 ppm2      8.464 CV     1
 OR { 1470}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 34   and name HN  ))
 ASSI { 1478}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HN  ))
      3.000     1.200     1.200 peak  1478 spectrum    1 weight  0.10000E+01 volume  0.13658E-02 ppm1      1.858 ppm2      8.460 CV     1
 OR { 1478}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 35   and name HN  ))
 ASSI { 1496}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 52   and name HN  ))
      3.800     1.800     1.800 peak  1496 spectrum    1 weight  0.10000E+01 volume  0.11444E-02 ppm1      2.031 ppm2      8.401 CV     1
 OR { 1496}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 14   and name HN  ))
 OR { 1496}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 14   and name HN  ))
 OR { 1496}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 14   and name HN  ))
 ASSI { 1504}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HE  ))
      2.900     1.000     1.000 peak  1504 spectrum    1 weight  0.10000E+01 volume  0.19485E-02 ppm1      2.050 ppm2      7.328 CV     1
 OR { 1504}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HE  ))
 OR { 1504}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 30   and name HZ  ))
 OR { 1504}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 30   and name HZ  ))
 ASSI { 1522}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HA  ))
      2.800     1.000     1.000 peak  1522 spectrum    1 weight  0.10000E+01 volume  0.26172E-02 ppm1      2.033 ppm2      4.233 CV     1
 OR { 1522}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 10   and name HA  ))
 OR { 1522}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 50   and name HA  ))
 ASSI { 1525}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 13   and name HA  ))
      4.100     2.100     1.900 peak  1525 spectrum    1 weight  0.10000E+01 volume  0.60344E-03 ppm1      2.031 ppm2      4.396 CV     1
 OR { 1525}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 13   and name HA  ))
 OR { 1525}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 13   and name HA  ))
 OR { 1525}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 48   and name HB  ))
 OR { 1525}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 13   and name HA  ))
 OR { 1525}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 14   and name HA  ))
 OR { 1525}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 54   and name HA  ))
 OR { 1525}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 13   and name HA  ))
 ASSI { 1526}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 84   and name HA  ))
      3.000     1.200     1.200 peak  1526 spectrum    1 weight  0.10000E+01 volume  0.29712E-02 ppm1      2.125 ppm2      4.392 CV     1
 OR { 1526}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 13   and name HA  ))
 ASSI { 1529}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 48   and name HA  ))
      3.600     1.600     1.600 peak  1529 spectrum    1 weight  0.10000E+01 volume  0.60306E-03 ppm1      2.198 ppm2      3.955 CV     1
 OR { 1529}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 49   and name HA  ))
 ASSI { 1538}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HD2 ))
      3.200     1.300     1.300 peak  1538 spectrum    1 weight  0.10000E+01 volume  0.11410E-02 ppm1      1.607 ppm2      3.017 CV     1
 OR { 1538}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HD2 ))
 ASSI { 1539}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 9    and name HB2 ))
      3.200     3.200     2.800 peak  1539 spectrum    1 weight  0.10000E+01 volume  0.63092E-03 ppm1      2.029 ppm2      2.699 CV     1
 OR { 1539}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 8    and name HB1 ))
 OR { 1539}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 8    and name HB2 ))
 OR { 1539}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 9    and name HB2 ))
 OR { 1539}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 8    and name HB1 ))
 ASSI { 1543}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HB1 ))
      1.500     0.300     0.700 peak  1543 spectrum    1 weight  0.10000E+01 volume  0.30654E-01 ppm1      2.127 ppm2      2.272 CV     1
 OR { 1543}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 84   and name HB1 ))
 ASSI { 1545}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HG1 ))
      2.600     0.900     0.900 peak  1545 spectrum    1 weight  0.10000E+01 volume  0.30483E-02 ppm1      2.040 ppm2      1.401 CV     1
 OR { 1545}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HG1 ))
 OR { 1545}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 7    and name HG2%)
 ASSI { 1550}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HG2 ))
      2.900     1.100     1.100 peak  1550 spectrum    1 weight  0.10000E+01 volume  0.17774E-02 ppm1      2.035 ppm2      1.145 CV     1
 OR { 1550}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HG2 ))
 OR { 1550}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 11   and name HG2 ))
 ASSI { 1559}
   (( segid "    " and resid 51   and name HB2 ))
   (  segid "    " and resid 52   and name HD2%)
      4.600     2.700     1.400 peak  1559 spectrum    1 weight  0.10000E+01 volume  0.54115E-03 ppm1      2.032 ppm2      1.043 CV     1
 OR { 1559}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 10   and name HD1%)
 OR { 1559}
   (( segid "    " and resid 12   and name HB1 ))
   (  segid "    " and resid 15   and name HG1%)
 OR { 1559}
   (( segid "    " and resid 11   and name HB1 ))
   (  segid "    " and resid 10   and name HD1%)
 OR { 1559}
   (( segid "    " and resid 12   and name HB2 ))
   (  segid "    " and resid 15   and name HG1%)
 OR { 1559}
   (( segid "    " and resid 12   and name HB2 ))
   (  segid "    " and resid 52   and name HD2%)
 OR { 1559}
   (( segid "    " and resid 11   and name HB1 ))
   (  segid "    " and resid 15   and name HG1%)
 OR { 1559}
   (( segid "    " and resid 12   and name HB1 ))
   (  segid "    " and resid 52   and name HD2%)
 OR { 1559}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 15   and name HG1%)
 OR { 1559}
   (( segid "    " and resid 12   and name HB2 ))
   (  segid "    " and resid 10   and name HD1%)
 OR { 1559}
   (( segid "    " and resid 12   and name HB1 ))
   (  segid "    " and resid 10   and name HD1%)
 ASSI { 1563}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 47   and name HB2 ))
      4.400     2.400     1.600 peak  1563 spectrum    1 weight  0.10000E+01 volume  0.12085E-02 ppm1      2.748 ppm2      2.180 CV     1
 OR { 1563}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 64   and name HB  ))
 ASSI { 1564}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 47   and name HN  ))
      4.600     2.700     1.400 peak  1564 spectrum    1 weight  0.10000E+01 volume  0.58487E-03 ppm1      2.840 ppm2      8.486 CV     1
 OR { 1564}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 45   and name HN  ))
 ASSI { 1565}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 47   and name HN  ))
      4.700     2.800     1.300 peak  1565 spectrum    1 weight  0.10000E+01 volume  0.53826E-03 ppm1      2.749 ppm2      8.481 CV     1
 OR { 1565}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 45   and name HN  ))
 ASSI { 1578}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 46   and name HA  ))
      3.200     1.300     1.300 peak  1578 spectrum    1 weight  0.10000E+01 volume  0.25334E-02 ppm1      2.842 ppm2      4.259 CV     1
 OR { 1578}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 42   and name HA  ))
 ASSI { 1579}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 42   and name HA  ))
      2.900     1.100     1.100 peak  1579 spectrum    1 weight  0.10000E+01 volume  0.21212E-02 ppm1      2.751 ppm2      4.260 CV     1
 OR { 1579}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 46   and name HA  ))
 ASSI { 1581}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 66   and name HA1 ))
      4.700     2.700     1.300 peak  1581 spectrum    1 weight  0.10000E+01 volume  0.28208E-03 ppm1      2.841 ppm2      4.120 CV     1
 OR { 1581}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 17   and name HB1 ))
 ASSI { 1582}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 66   and name HA2 ))
      4.300     2.300     1.700 peak  1582 spectrum    1 weight  0.10000E+01 volume  0.35110E-03 ppm1      2.752 ppm2      3.894 CV     1
 OR { 1582}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 45   and name HA  ))
 ASSI { 1583}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 66   and name HA2 ))
      4.700     2.700     1.300 peak  1583 spectrum    1 weight  0.10000E+01 volume  0.25654E-03 ppm1      2.842 ppm2      3.884 CV     1
 OR { 1583}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 45   and name HA  ))
 ASSI { 1584}
   (( segid "    " and resid 64   and name HB  ))
   (( segid "    " and resid 65   and name HA  ))
      4.400     2.500     1.600 peak  1584 spectrum    1 weight  0.10000E+01 volume  0.53583E-03 ppm1      2.206 ppm2      3.998 CV     1
 OR { 1584}
   (( segid "    " and resid 64   and name HB  ))
   (( segid "    " and resid 61   and name HD1 ))
 ASSI { 1608}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 45   and name HB2 ))
      4.300     2.300     1.700 peak  1608 spectrum    1 weight  0.10000E+01 volume  0.47730E-03 ppm1      2.838 ppm2      1.516 CV     1
 OR { 1608}
   (( segid "    " and resid 46   and name HG1 ))
   (  segid "    " and resid 49   and name HB% )
 OR { 1608}
   (( segid "    " and resid 46   and name HG1 ))
   (  segid "    " and resid 44   and name HB% )
 ASSI { 1609}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 45   and name HB2 ))
      4.200     2.200     1.800 peak  1609 spectrum    1 weight  0.10000E+01 volume  0.40152E-03 ppm1      2.754 ppm2      1.517 CV     1
 OR { 1609}
   (( segid "    " and resid 46   and name HG2 ))
   (  segid "    " and resid 49   and name HB% )
 OR { 1609}
   (( segid "    " and resid 46   and name HG2 ))
   (  segid "    " and resid 44   and name HB% )
 ASSI { 1611}
   (( segid "    " and resid 46   and name HG1 ))
   (  segid "    " and resid 65   and name HB% )
      4.500     2.500     1.500 peak  1611 spectrum    1 weight  0.10000E+01 volume  0.42281E-03 ppm1      2.840 ppm2      1.376 CV     1
 OR { 1611}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 45   and name HG  ))
 ASSI { 1612}
   (( segid "    " and resid 46   and name HG1 ))
   (  segid "    " and resid 42   and name H31%)
      3.900     1.900     1.900 peak  1612 spectrum    1 weight  0.10000E+01 volume  0.44700E-03 ppm1      2.841 ppm2      1.074 CV     1
 OR { 1612}
   (( segid "    " and resid 46   and name HG1 ))
   (  segid "    " and resid 74   and name HD1%)
 OR { 1612}
   (( segid "    " and resid 46   and name HG1 ))
   (  segid "    " and resid 43   and name HD2%)
 OR { 1612}
   (( segid "    " and resid 46   and name HG1 ))
   (  segid "    " and resid 74   and name HD2%)
 ASSI { 1613}
   (( segid "    " and resid 46   and name HG2 ))
   (  segid "    " and resid 42   and name H31%)
      3.800     1.800     1.800 peak  1613 spectrum    1 weight  0.10000E+01 volume  0.62568E-03 ppm1      2.749 ppm2      1.066 CV     1
 OR { 1613}
   (( segid "    " and resid 46   and name HG2 ))
   (  segid "    " and resid 43   and name HD2%)
 OR { 1613}
   (( segid "    " and resid 46   and name HG2 ))
   (  segid "    " and resid 74   and name HD1%)
 OR { 1613}
   (( segid "    " and resid 46   and name HG2 ))
   (  segid "    " and resid 74   and name HD2%)
 ASSI { 1614}
   (( segid "    " and resid 46   and name HG1 ))
   (  segid "    " and resid 42   and name H30%)
      3.700     1.700     1.700 peak  1614 spectrum    1 weight  0.10000E+01 volume  0.42525E-03 ppm1      2.840 ppm2      0.958 CV     1
 OR { 1614}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 74   and name HG  ))
 OR { 1614}
   (( segid "    " and resid 46   and name HG1 ))
   (  segid "    " and resid 64   and name HG1%)
 OR { 1614}
   (( segid "    " and resid 46   and name HG1 ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI { 1615}
   (( segid "    " and resid 46   and name HG2 ))
   (  segid "    " and resid 42   and name H30%)
      4.100     2.100     1.900 peak  1615 spectrum    1 weight  0.10000E+01 volume  0.29548E-03 ppm1      2.750 ppm2      0.948 CV     1
 OR { 1615}
   (( segid "    " and resid 46   and name HG2 ))
   (  segid "    " and resid 64   and name HG1%)
 OR { 1615}
   (( segid "    " and resid 46   and name HG2 ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI { 1620}
   (( segid "    " and resid 64   and name HB  ))
   (  segid "    " and resid 64   and name HG2%)
      2.000     0.500     0.500 peak  1620 spectrum    1 weight  0.10000E+01 volume  0.12827E-01 ppm1      2.202 ppm2      1.008 CV     1
 OR { 1620}
   (( segid "    " and resid 64   and name HB  ))
   (  segid "    " and resid 60   and name HG2%)
 ASSI { 1628}
   (( segid "    " and resid 68   and name HB  ))
   (  segid "    " and resid 77   and name HD1%)
      4.500     2.500     1.500 peak  1628 spectrum    1 weight  0.10000E+01 volume  0.64659E-03 ppm1      2.411 ppm2      0.961 CV     1
 OR { 1628}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 74   and name HG  ))
 OR { 1628}
   (( segid "    " and resid 68   and name HB  ))
   (  segid "    " and resid 64   and name HG1%)
 ASSI { 1635}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 14   and name HD2%)
      2.900     1.100     1.100 peak  1635 spectrum    1 weight  0.10000E+01 volume  0.12957E-02 ppm1      2.246 ppm2      0.887 CV     1
 OR { 1635}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 38   and name HD1%)
 ASSI { 1636}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 14   and name HD1%)
      4.200     2.200     1.800 peak  1636 spectrum    1 weight  0.10000E+01 volume  0.50814E-03 ppm1      2.244 ppm2      0.780 CV     1
 OR { 1636}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 31   and name HD2%)
 ASSI { 1638}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 14   and name HD2%)
      4.400     2.400     1.600 peak  1638 spectrum    1 weight  0.10000E+01 volume  0.57427E-03 ppm1      2.006 ppm2      0.884 CV     1
 OR { 1638}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 75   and name HD2%)
 ASSI { 1639}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 31   and name HD2%)
      4.700     2.800     1.300 peak  1639 spectrum    1 weight  0.10000E+01 volume  0.25663E-03 ppm1      2.005 ppm2      0.782 CV     1
 OR { 1639}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 14   and name HD1%)
 ASSI { 1643}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 31   and name HA  ))
      3.800     1.800     1.800 peak  1643 spectrum    1 weight  0.10000E+01 volume  0.26026E-02 ppm1      2.244 ppm2      3.304 CV     1
 OR { 1643}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 30   and name HB1 ))
 ASSI { 1658}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 70   and name HN  ))
      3.300     1.300     1.300 peak  1658 spectrum    1 weight  0.10000E+01 volume  0.15348E-02 ppm1      2.409 ppm2      7.470 CV     1
 OR { 1658}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 67   and name HN  ))
 ASSI { 1674}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 60   and name HN  ))
      4.500     2.500     1.500 peak  1674 spectrum    1 weight  0.10000E+01 volume  0.36194E-03 ppm1      2.315 ppm2      8.120 CV     1
 OR { 1674}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 51   and name HN  ))
 OR { 1674}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 56   and name HN  ))
 ASSI { 1675}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 54   and name HN  ))
      4.300     2.400     1.700 peak  1675 spectrum    1 weight  0.10000E+01 volume  0.74100E-03 ppm1      2.757 ppm2      8.040 CV     1
 OR { 1675}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 55   and name HN  ))
 ASSI { 1676}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 54   and name HN  ))
      4.500     2.500     1.500 peak  1676 spectrum    1 weight  0.10000E+01 volume  0.62554E-03 ppm1      2.311 ppm2      8.042 CV     1
 OR { 1676}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 55   and name HN  ))
 ASSI { 1681}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 50   and name HA  ))
      3.900     1.900     1.900 peak  1681 spectrum    1 weight  0.10000E+01 volume  0.65621E-03 ppm1      2.765 ppm2      4.246 CV     1
 OR { 1681}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 51   and name HA  ))
 ASSI { 1683}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 50   and name HA  ))
      4.200     2.300     1.800 peak  1683 spectrum    1 weight  0.10000E+01 volume  0.87248E-03 ppm1      2.317 ppm2      4.253 CV     1
 OR { 1683}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 51   and name HA  ))
 ASSI { 1686}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 53   and name HA  ))
      5.100     3.200     0.900 peak  1686 spectrum    1 weight  0.10000E+01 volume  0.52962E-03 ppm1      2.134 ppm2      4.082 CV     1
 OR { 1686}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 57   and name HA2 ))
 ASSI { 1687}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 78   and name HA  ))
      4.500     2.500     1.500 peak  1687 spectrum    1 weight  0.10000E+01 volume  0.37663E-03 ppm1      2.135 ppm2      3.758 CV     1
 OR { 1687}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 59   and name HB2 ))
 ASSI { 1694}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 60   and name HG11))
      3.800     1.800     1.800 peak  1694 spectrum    1 weight  0.10000E+01 volume  0.35735E-03 ppm1      2.316 ppm2      1.468 CV     1
 OR { 1694}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 52   and name HB2 ))
 ASSI { 1705}
   (( segid "    " and resid 47   and name HG1 ))
   (  segid "    " and resid 43   and name HD2%)
      3.600     1.600     1.600 peak  1705 spectrum    1 weight  0.10000E+01 volume  0.41089E-03 ppm1      2.620 ppm2      1.056 CV     1
 OR { 1705}
   (( segid "    " and resid 47   and name HG1 ))
   (  segid "    " and resid 52   and name HD2%)
 OR { 1705}
   (( segid "    " and resid 47   and name HG1 ))
   (  segid "    " and resid 74   and name HD1%)
 OR { 1705}
   (( segid "    " and resid 47   and name HG1 ))
   (  segid "    " and resid 74   and name HD2%)
 ASSI { 1706}
   (( segid "    " and resid 47   and name HG2 ))
   (  segid "    " and resid 43   and name HD2%)
      3.300     1.300     1.300 peak  1706 spectrum    1 weight  0.10000E+01 volume  0.69963E-03 ppm1      2.471 ppm2      1.047 CV     1
 OR { 1706}
   (( segid "    " and resid 47   and name HG2 ))
   (  segid "    " and resid 52   and name HD2%)
 OR { 1706}
   (( segid "    " and resid 47   and name HG2 ))
   (  segid "    " and resid 74   and name HD1%)
 OR { 1706}
   (( segid "    " and resid 47   and name HG2 ))
   (  segid "    " and resid 74   and name HD2%)
 ASSI { 1737}
   (( segid "    " and resid 20   and name HG1 ))
   (( segid "    " and resid 20   and name HN  ))
      3.500     1.600     1.600 peak  1737 spectrum    1 weight  0.10000E+01 volume  0.20202E-02 ppm1      2.407 ppm2      8.472 CV     1
 OR { 1737}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 20   and name HN  ))
 ASSI { 1743}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 78   and name HN  ))
      5.500     3.800     0.500 peak  1743 spectrum    1 weight  0.10000E+01 volume  0.26595E-03 ppm1      3.098 ppm2      8.276 CV     1
 OR { 1743}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 82   and name HN  ))
 ASSI { 1744}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 82   and name HN  ))
      5.200     3.400     0.800 peak  1744 spectrum    1 weight  0.10000E+01 volume  0.18947E-03 ppm1      2.768 ppm2      8.270 CV     1
 OR { 1744}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 78   and name HN  ))
 ASSI { 1762}
   (( segid "    " and resid 78   and name HB  ))
   (  segid "    " and resid 82   and name HD1%)
      4.200     2.300     1.800 peak  1762 spectrum    1 weight  0.10000E+01 volume  0.81399E-03 ppm1      1.938 ppm2      0.987 CV     1
 OR { 1762}
   (( segid "    " and resid 78   and name HB  ))
   (  segid "    " and resid 82   and name HD2%)
 OR { 1762}
   (( segid "    " and resid 78   and name HB  ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI { 1763}
   (( segid "    " and resid 78   and name HB  ))
   (  segid "    " and resid 78   and name HG2%)
      2.500     0.800     0.800 peak  1763 spectrum    1 weight  0.10000E+01 volume  0.30585E-02 ppm1      1.934 ppm2      0.860 CV     1
 OR { 1763}
   (( segid "    " and resid 78   and name HB  ))
   (  segid "    " and resid 60   and name HD1%)
 ASSI { 1765}
   (( segid "    " and resid 79   and name HB1 ))
   (  segid "    " and resid 4    and name HD1%)
      3.600     1.700     1.700 peak  1765 spectrum    1 weight  0.10000E+01 volume  0.56754E-03 ppm1      3.081 ppm2      0.883 CV     1
 OR { 1765}
   (( segid "    " and resid 79   and name HB1 ))
   (  segid "    " and resid 78   and name HG2%)
 ASSI { 1766}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 4    and name HD1%)
      4.300     2.400     1.700 peak  1766 spectrum    1 weight  0.10000E+01 volume  0.80828E-03 ppm1      2.766 ppm2      0.885 CV     1
 OR { 1766}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 78   and name HG2%)
 OR { 1766}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 75   and name HD2%)
 ASSI { 1770}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 17   and name HN  ))
      4.700     2.800     1.300 peak  1770 spectrum    1 weight  0.10000E+01 volume  0.38866E-03 ppm1      2.394 ppm2      7.821 CV     1
 OR { 1770}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI { 1771}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 13   and name HA  ))
      4.200     2.200     1.800 peak  1771 spectrum    1 weight  0.10000E+01 volume  0.49591E-03 ppm1      2.391 ppm2      4.398 CV     1
 OR { 1771}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 14   and name HA  ))
 ASSI { 1773}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 13   and name HA  ))
      4.000     2.000     2.000 peak  1773 spectrum    1 weight  0.10000E+01 volume  0.43070E-03 ppm1      2.617 ppm2      4.400 CV     1
 OR { 1773}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 14   and name HA  ))
 ASSI { 1775}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HB1 ))
      2.600     0.800     0.800 peak  1775 spectrum    1 weight  0.10000E+01 volume  0.55957E-02 ppm1      2.392 ppm2      2.260 CV     1
 OR { 1775}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 15   and name HB  ))
 ASSI { 1784}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 38   and name HG12))
      5.600     4.000     0.400 peak  1784 spectrum    1 weight  0.10000E+01 volume  0.22955E-03 ppm1      3.087 ppm2      1.543 CV     1
 OR { 1784}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 45   and name HB2 ))
 ASSI { 1785}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 38   and name HG12))
      4.500     2.600     1.500 peak  1785 spectrum    1 weight  0.10000E+01 volume  0.43960E-03 ppm1      3.588 ppm2      1.530 CV     1
 OR { 1785}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 45   and name HB2 ))
 ASSI { 1802}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 35   and name HA  ))
      2.500     0.800     0.800 peak  1802 spectrum    1 weight  0.10000E+01 volume  0.26754E-02 ppm1      3.587 ppm2      4.372 CV     1
 OR { 1802}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 36   and name HA  ))
 ASSI { 1803}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 35   and name HA  ))
      3.100     1.200     1.200 peak  1803 spectrum    1 weight  0.10000E+01 volume  0.20068E-02 ppm1      3.081 ppm2      4.373 CV     1
 OR { 1803}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 36   and name HA  ))
 ASSI { 1811}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 38   and name HN  ))
      3.700     1.700     1.700 peak  1811 spectrum    1 weight  0.10000E+01 volume  0.14052E-02 ppm1      2.458 ppm2      7.715 CV     1
 OR { 1811}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI { 1825}
   (( segid "    " and resid 56   and name HB1 ))
   (( segid "    " and resid 57   and name HA2 ))
      4.500     2.500     1.500 peak  1825 spectrum    1 weight  0.10000E+01 volume  0.46204E-03 ppm1      3.451 ppm2      4.075 CV     1
 OR { 1825}
   (( segid "    " and resid 56   and name HB1 ))
   (( segid "    " and resid 53   and name HA  ))
 OR { 1825}
   (( segid "    " and resid 56   and name HB1 ))
   (( segid "    " and resid 57   and name HA1 ))
 OR { 1825}
   (( segid "    " and resid 56   and name HB1 ))
   (( segid "    " and resid 55   and name HA  ))
 ASSI { 1826}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 53   and name HA  ))
      4.100     2.100     1.900 peak  1826 spectrum    1 weight  0.10000E+01 volume  0.42697E-03 ppm1      2.775 ppm2      4.093 CV     1
 OR { 1826}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 57   and name HA2 ))
 OR { 1826}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 57   and name HA1 ))
 OR { 1826}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 55   and name HA  ))
 ASSI { 1856}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 30   and name HN  ))
      4.400     2.500     1.600 peak  1856 spectrum    1 weight  0.10000E+01 volume  0.52883E-03 ppm1      2.893 ppm2      8.042 CV     1
 OR { 1856}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 32   and name HN  ))
 ASSI { 1858}
   (( segid "    " and resid 26   and name HB2 ))
   (  segid "    " and resid 30   and name HD% )
      4.300     2.300     1.700 peak  1858 spectrum    1 weight  0.10000E+01 volume  0.46005E-03 ppm1      1.238 ppm2      7.312 CV     1
 OR { 1858}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 11   and name HE  ))
 ASSI { 1861}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
      2.800     1.000     1.000 peak  1861 spectrum    1 weight  0.10000E+01 volume  0.20897E-02 ppm1      2.701 ppm2      8.065 CV     1
 OR { 1861}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 10   and name HN  ))
 ASSI { 1862}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 9    and name HN  ))
      2.400     0.700     0.700 peak  1862 spectrum    1 weight  0.10000E+01 volume  0.50556E-02 ppm1      2.704 ppm2      7.884 CV     1
 OR { 1862}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 9    and name HN  ))
 OR { 1862}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HN  ))
 ASSI { 1867}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 7    and name HN  ))
      4.400     2.400     1.600 peak  1867 spectrum    1 weight  0.10000E+01 volume  0.73144E-03 ppm1      2.708 ppm2      8.836 CV     1
 OR { 1867}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 11   and name HN  ))
 OR { 1867}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 7    and name HN  ))
 OR { 1867}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 11   and name HN  ))
 OR { 1867}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 11   and name HN  ))
 OR { 1867}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 7    and name HN  ))
 ASSI { 1868}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 30   and name HN  ))
      3.000     1.100     1.100 peak  1868 spectrum    1 weight  0.10000E+01 volume  0.14082E-02 ppm1      3.291 ppm2      8.038 CV     1
 OR { 1868}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 32   and name HN  ))
 ASSI { 1871}
   (( segid "    " and resid 30   and name HB1 ))
   (  segid "    " and resid 30   and name HE% )
      4.500     2.500     1.500 peak  1871 spectrum    1 weight  0.10000E+01 volume  0.63588E-03 ppm1      3.287 ppm2      7.202 CV     1
 OR { 1871}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 33   and name HN  ))
 ASSI { 1873}
   (( segid "    " and resid 30   and name HB2 ))
   (  segid "    " and resid 30   and name HE% )
      4.100     2.100     1.900 peak  1873 spectrum    1 weight  0.10000E+01 volume  0.87832E-03 ppm1      3.008 ppm2      7.198 CV     1
 OR { 1873}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 33   and name HN  ))
 ASSI { 1879}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 11   and name HE  ))
      4.600     2.600     1.400 peak  1879 spectrum    1 weight  0.10000E+01 volume  0.47535E-03 ppm1      2.712 ppm2      7.308 CV     1
 OR { 1879}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 11   and name HE  ))
 OR { 1879}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 11   and name HE  ))
 OR { 1879}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 79   and name HD21))
 ASSI { 1881}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 40   and name HN  ))
      2.900     1.000     1.000 peak  1881 spectrum    1 weight  0.10000E+01 volume  0.46337E-02 ppm1      3.009 ppm2      8.053 CV     1
 OR { 1881}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
 ASSI { 1885}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 9    and name HA  ))
      2.700     0.900     0.900 peak  1885 spectrum    1 weight  0.10000E+01 volume  0.35717E-02 ppm1      3.035 ppm2      4.543 CV     1
 OR { 1885}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 5    and name HA  ))
 ASSI { 1888}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 35   and name HA  ))
      3.700     1.700     1.700 peak  1888 spectrum    1 weight  0.10000E+01 volume  0.18922E-02 ppm1      3.011 ppm2      4.366 CV     1
 OR { 1888}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 26   and name HA  ))
 OR { 1888}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 36   and name HA  ))
 ASSI { 1892}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HA  ))
      2.700     0.900     0.900 peak  1892 spectrum    1 weight  0.10000E+01 volume  0.59910E-02 ppm1      2.700 ppm2      4.554 CV     1
 OR { 1892}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 9    and name HA  ))
 ASSI { 1896}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 6    and name HB  ))
      4.600     2.600     1.400 peak  1896 spectrum    1 weight  0.10000E+01 volume  0.50746E-03 ppm1      2.703 ppm2      4.838 CV     1
 OR { 1896}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 6    and name HB  ))
 OR { 1896}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 6    and name HB  ))
 ASSI { 1911}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 12   and name HD2 ))
      3.500     3.500     2.500 peak  1911 spectrum    1 weight  0.10000E+01 volume  0.35850E-03 ppm1      2.859 ppm2      3.306 CV     1
 OR { 1911}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 12   and name HD2 ))
 OR { 1911}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 41   and name HB1 ))
 OR { 1911}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 51   and name HD2 ))
 OR { 1911}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 30   and name HB1 ))
 ASSI { 1929}
   (( segid "    " and resid 30   and name HB1 ))
   (  segid "    " and resid 14   and name HD2%)
      4.800     2.900     1.200 peak  1929 spectrum    1 weight  0.10000E+01 volume  0.47762E-03 ppm1      3.293 ppm2      0.864 CV     1
 OR { 1929}
   (( segid "    " and resid 30   and name HB1 ))
   (  segid "    " and resid 38   and name HD1%)
 ASSI { 1930}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 38   and name HD1%)
      3.900     1.900     1.900 peak  1930 spectrum    1 weight  0.10000E+01 volume  0.95317E-03 ppm1      3.008 ppm2      0.869 CV     1
 OR { 1930}
   (( segid "    " and resid 30   and name HB2 ))
   (  segid "    " and resid 14   and name HD2%)
 OR { 1930}
   (( segid "    " and resid 30   and name HB2 ))
   (  segid "    " and resid 38   and name HD1%)
 ASSI { 1931}
   (( segid "    " and resid 30   and name HB1 ))
   (  segid "    " and resid 33   and name HD2%)
      3.400     1.500     1.500 peak  1931 spectrum    1 weight  0.10000E+01 volume  0.23674E-02 ppm1      3.293 ppm2      1.060 CV     1
 OR { 1931}
   (( segid "    " and resid 30   and name HB1 ))
   (  segid "    " and resid 38   and name HG2%)
 OR { 1931}
   (( segid "    " and resid 30   and name HB1 ))
   (  segid "    " and resid 10   and name HD1%)
 ASSI { 1933}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 38   and name HG11))
      4.400     2.400     1.600 peak  1933 spectrum    1 weight  0.10000E+01 volume  0.80540E-03 ppm1      3.008 ppm2      1.797 CV     1
 OR { 1933}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 33   and name HG  ))
 OR { 1933}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 33   and name HB1 ))
 ASSI { 1934}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 5    and name HB1 ))
      3.200     1.300     1.300 peak  1934 spectrum    1 weight  0.10000E+01 volume  0.20538E-02 ppm1      2.699 ppm2      1.571 CV     1
 OR { 1934}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 10   and name HB2 ))
 OR { 1934}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 5    and name HG  ))
 OR { 1934}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 10   and name HB2 ))
 ASSI { 1935}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 6    and name HG2%)
      3.900     1.900     1.900 peak  1935 spectrum    1 weight  0.10000E+01 volume  0.12326E-02 ppm1      2.707 ppm2      1.390 CV     1
 OR { 1935}
   (( segid "    " and resid 8    and name HB2 ))
   (  segid "    " and resid 7    and name HG2%)
 OR { 1935}
   (( segid "    " and resid 8    and name HB2 ))
   (  segid "    " and resid 6    and name HG2%)
 OR { 1935}
   (( segid "    " and resid 8    and name HB1 ))
   (  segid "    " and resid 6    and name HG2%)
 OR { 1935}
   (( segid "    " and resid 8    and name HB1 ))
   (  segid "    " and resid 7    and name HG2%)
 OR { 1935}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 5    and name HB2 ))
 OR { 1935}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 11   and name HG1 ))
 ASSI { 1936}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 11   and name HB1 ))
      4.300     2.300     1.700 peak  1936 spectrum    1 weight  0.10000E+01 volume  0.81328E-03 ppm1      2.705 ppm2      2.029 CV     1
 OR { 1936}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 11   and name HB1 ))
 OR { 1936}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 11   and name HB2 ))
 OR { 1936}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 11   and name HB2 ))
 OR { 1936}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 12   and name HB2 ))
 OR { 1936}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 12   and name HB2 ))
 OR { 1936}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 11   and name HB1 ))
 OR { 1936}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI { 1937}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 38   and name HG12))
      3.700     1.700     1.700 peak  1937 spectrum    1 weight  0.10000E+01 volume  0.11943E-02 ppm1      3.008 ppm2      1.522 CV     1
 OR { 1937}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 45   and name HB2 ))
 OR { 1937}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 44   and name HB% )
 ASSI { 1940}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 5    and name HB1 ))
      3.400     1.400     1.400 peak  1940 spectrum    1 weight  0.10000E+01 volume  0.19652E-02 ppm1      3.035 ppm2      1.574 CV     1
 OR { 1940}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 10   and name HB2 ))
 OR { 1940}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 5    and name HG  ))
 ASSI { 1956}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 75   and name HD2%)
      3.900     1.900     1.900 peak  1956 spectrum    1 weight  0.10000E+01 volume  0.79994E-03 ppm1      2.331 ppm2      0.871 CV     1
 OR { 1956}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 52   and name HD1%)
 OR { 1956}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 14   and name HD2%)
 ASSI { 1957}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 75   and name HD1%)
      3.500     1.500     1.500 peak  1957 spectrum    1 weight  0.10000E+01 volume  0.16122E-02 ppm1      2.333 ppm2      0.789 CV     1
 OR { 1957}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 31   and name HD2%)
 ASSI { 1960}
   (( segid "    " and resid 52   and name HB1 ))
   (  segid "    " and resid 52   and name HD2%)
      2.800     1.000     1.000 peak  1960 spectrum    1 weight  0.10000E+01 volume  0.21276E-02 ppm1      2.212 ppm2      1.040 CV     1
 OR { 1960}
   (( segid "    " and resid 75   and name HB1 ))
   (  segid "    " and resid 10   and name HD1%)
 OR { 1960}
   (( segid "    " and resid 52   and name HB1 ))
   (  segid "    " and resid 74   and name HD2%)
 ASSI { 1965}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 74   and name HG  ))
      3.100     1.200     1.200 peak  1965 spectrum    1 weight  0.10000E+01 volume  0.19609E-02 ppm1      2.419 ppm2      0.976 CV     1
 OR { 1965}
   (( segid "    " and resid 74   and name HB1 ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI { 1966}
   (( segid "    " and resid 82   and name HB1 ))
   (  segid "    " and resid 82   and name HD1%)
      2.300     0.700     0.700 peak  1966 spectrum    1 weight  0.10000E+01 volume  0.72907E-02 ppm1      2.014 ppm2      0.973 CV     1
 OR { 1966}
   (( segid "    " and resid 77   and name HB1 ))
   (  segid "    " and resid 77   and name HD1%)
 OR { 1966}
   (( segid "    " and resid 77   and name HB1 ))
   (  segid "    " and resid 77   and name HD2%)
 OR { 1966}
   (( segid "    " and resid 82   and name HB1 ))
   (  segid "    " and resid 82   and name HD2%)
 OR { 1966}
   (( segid "    " and resid 77   and name HB1 ))
   (  segid "    " and resid 64   and name HG1%)
 ASSI { 1967}
   (( segid "    " and resid 82   and name HB1 ))
   (  segid "    " and resid 4    and name HD1%)
      4.000     2.000     2.000 peak  1967 spectrum    1 weight  0.10000E+01 volume  0.20669E-02 ppm1      2.011 ppm2      0.871 CV     1
 OR { 1967}
   (( segid "    " and resid 82   and name HB1 ))
   (  segid "    " and resid 78   and name HG2%)
 ASSI { 1969}
   (( segid "    " and resid 14   and name HB1 ))
   (  segid "    " and resid 26   and name HD2%)
      3.100     1.200     1.200 peak  1969 spectrum    1 weight  0.10000E+01 volume  0.31038E-02 ppm1      1.982 ppm2      0.776 CV     1
 OR { 1969}
   (( segid "    " and resid 14   and name HB1 ))
   (  segid "    " and resid 14   and name HD1%)
 ASSI { 1972}
   (( segid "    " and resid 33   and name HB1 ))
   (  segid "    " and resid 33   and name HD2%)
      2.700     0.900     0.900 peak  1972 spectrum    1 weight  0.10000E+01 volume  0.41768E-02 ppm1      1.768 ppm2      1.055 CV     1
 OR { 1972}
   (( segid "    " and resid 33   and name HB1 ))
   (  segid "    " and resid 38   and name HG2%)
 ASSI { 1982}
   (( segid "    " and resid 75   and name HB2 ))
   (  segid "    " and resid 75   and name HD2%)
      2.600     0.900     0.900 peak  1982 spectrum    1 weight  0.10000E+01 volume  0.49866E-02 ppm1      1.549 ppm2      0.870 CV     1
 OR { 1982}
   (( segid "    " and resid 82   and name HB2 ))
   (  segid "    " and resid 78   and name HG2%)
 ASSI { 1986}
   (( segid "    " and resid 52   and name HB2 ))
   (  segid "    " and resid 52   and name HD1%)
      2.500     0.800     0.800 peak  1986 spectrum    1 weight  0.10000E+01 volume  0.50565E-02 ppm1      1.450 ppm2      0.867 CV     1
 OR { 1986}
   (( segid "    " and resid 52   and name HB2 ))
   (  segid "    " and resid 78   and name HG2%)
 ASSI { 1988}
   (( segid "    " and resid 82   and name HB2 ))
   (  segid "    " and resid 82   and name HD1%)
      2.300     0.700     0.700 peak  1988 spectrum    1 weight  0.10000E+01 volume  0.92091E-02 ppm1      1.556 ppm2      0.980 CV     1
 OR { 1988}
   (( segid "    " and resid 82   and name HB2 ))
   (  segid "    " and resid 82   and name HD2%)
 OR { 1988}
   (( segid "    " and resid 82   and name HB2 ))
   (  segid "    " and resid 4    and name HD2%)
 ASSI { 1990}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 74   and name HG  ))
      2.400     0.700     0.700 peak  1990 spectrum    1 weight  0.10000E+01 volume  0.41359E-02 ppm1      1.704 ppm2      0.971 CV     1
 OR { 1990}
   (( segid "    " and resid 74   and name HB2 ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI { 1994}
   (( segid "    " and resid 33   and name HB2 ))
   (  segid "    " and resid 33   and name HD2%)
      2.700     0.900     0.900 peak  1994 spectrum    1 weight  0.10000E+01 volume  0.51078E-02 ppm1      1.409 ppm2      1.059 CV     1
 OR { 1994}
   (( segid "    " and resid 33   and name HB2 ))
   (  segid "    " and resid 38   and name HG2%)
 ASSI { 1997}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HB1 ))
      1.900     0.400     0.400 peak  1997 spectrum    1 weight  0.10000E+01 volume  0.79077E-02 ppm1      1.027 ppm2      1.628 CV     1
 OR { 1997}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 72   and name HB2 ))
 ASSI { 2020}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 14   and name HA  ))
      3.300     1.400     1.400 peak  2020 spectrum    1 weight  0.10000E+01 volume  0.14431E-02 ppm1      1.980 ppm2      4.398 CV     1
 OR { 2020}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 13   and name HA  ))
 ASSI { 2032}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 4    and name HA  ))
      2.500     0.800     0.800 peak  2032 spectrum    1 weight  0.10000E+01 volume  0.36972E-02 ppm1      1.599 ppm2      4.363 CV     1
 OR { 2032}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 3    and name HA  ))
 ASSI { 2035}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 42   and name HA  ))
      2.600     0.800     0.800 peak  2035 spectrum    1 weight  0.10000E+01 volume  0.20526E-02 ppm1      1.624 ppm2      4.271 CV     1
 OR { 2035}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 46   and name HA  ))
 ASSI { 2038}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HA  ))
      2.700     0.900     0.900 peak  2038 spectrum    1 weight  0.10000E+01 volume  0.19510E-02 ppm1      1.442 ppm2      4.389 CV     1
 OR { 2038}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 48   and name HB  ))
 ASSI { 2039}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 42   and name HA  ))
      3.700     1.700     1.700 peak  2039 spectrum    1 weight  0.10000E+01 volume  0.16780E-02 ppm1      1.508 ppm2      4.268 CV     1
 OR { 2039}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 46   and name HA  ))
 ASSI { 2056}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 75   and name HN  ))
      2.300     0.700     0.700 peak  2056 spectrum    1 weight  0.10000E+01 volume  0.60315E-02 ppm1      2.190 ppm2      8.712 CV     1
 OR { 2056}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 76   and name HN  ))
 ASSI { 2059}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 10   and name HN  ))
      2.800     1.000     1.000 peak  2059 spectrum    1 weight  0.10000E+01 volume  0.43385E-02 ppm1      3.031 ppm2      8.051 CV     1
 OR { 2059}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 32   and name HN  ))
 ASSI { 2067}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 79   and name HD21))
      3.500     1.500     1.500 peak  2067 spectrum    1 weight  0.10000E+01 volume  0.11508E-02 ppm1      1.590 ppm2      7.322 CV     1
 OR { 2067}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 79   and name HD21))
 ASSI { 2080}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 32   and name HN  ))
      3.700     1.700     1.700 peak  2080 spectrum    1 weight  0.10000E+01 volume  0.16364E-02 ppm1      1.623 ppm2      8.051 CV     1
 OR { 2080}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 30   and name HN  ))
 ASSI { 2082}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 45   and name HN  ))
      2.700     0.900     0.900 peak  2082 spectrum    1 weight  0.10000E+01 volume  0.25859E-02 ppm1      1.627 ppm2      8.463 CV     1
 OR { 2082}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 47   and name HN  ))
 ASSI { 2093}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 75   and name HN  ))
      2.500     0.800     0.800 peak  2093 spectrum    1 weight  0.10000E+01 volume  0.48071E-02 ppm1      1.544 ppm2      8.718 CV     1
 OR { 2093}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 76   and name HN  ))
 ASSI { 2096}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 5    and name HN  ))
      2.500     0.800     0.800 peak  2096 spectrum    1 weight  0.10000E+01 volume  0.42924E-02 ppm1      1.587 ppm2      9.430 CV     1
 OR { 2096}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 5    and name HN  ))
 ASSI { 2101}
   (( segid "    " and resid 34   and name HD2 ))
   (( segid "    " and resid 34   and name HE  ))
      3.000     1.100     1.100 peak  2101 spectrum    1 weight  0.10000E+01 volume  0.17338E-02 ppm1      3.349 ppm2      7.981 CV     1
 OR { 2101}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 12   and name HN  ))
 ASSI { 2102}
   (( segid "    " and resid 34   and name HD2 ))
   (( segid "    " and resid 34   and name HN  ))
      4.800     2.900     1.200 peak  2102 spectrum    1 weight  0.10000E+01 volume  0.45110E-03 ppm1      3.352 ppm2      8.465 CV     1
 OR { 2102}
   (( segid "    " and resid 34   and name HD2 ))
   (( segid "    " and resid 35   and name HN  ))
 OR { 2102}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 15   and name HN  ))
 ASSI { 2103}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 34   and name HN  ))
      4.700     2.800     1.300 peak  2103 spectrum    1 weight  0.10000E+01 volume  0.62626E-03 ppm1      3.441 ppm2      8.454 CV     1
 OR { 2103}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 35   and name HN  ))
 ASSI { 2112}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 12   and name HE  ))
      3.000     1.100     1.100 peak  2112 spectrum    1 weight  0.10000E+01 volume  0.18529E-02 ppm1      3.300 ppm2      7.530 CV     1
 OR { 2112}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 51   and name HE  ))
 ASSI { 2121}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 13   and name HA  ))
      3.700     1.800     1.800 peak  2121 spectrum    1 weight  0.10000E+01 volume  0.60143E-03 ppm1      3.298 ppm2      4.399 CV     1
 OR { 2121}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 13   and name HA  ))
 OR { 2121}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 14   and name HA  ))
 ASSI { 2122}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 13   and name HA  ))
      3.800     1.800     1.800 peak  2122 spectrum    1 weight  0.10000E+01 volume  0.50907E-03 ppm1      3.439 ppm2      4.394 CV     1
 OR { 2122}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 35   and name HA  ))
 ASSI { 2125}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 74   and name HA  ))
      2.600     0.800     0.800 peak  2125 spectrum    1 weight  0.10000E+01 volume  0.43501E-02 ppm1      1.907 ppm2      4.283 CV     1
 OR { 2125}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 77   and name HA  ))
 ASSI { 2138}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 34   and name HB1 ))
      2.800     1.000     1.000 peak  2138 spectrum    1 weight  0.10000E+01 volume  0.33875E-02 ppm1      3.441 ppm2      2.179 CV     1
 OR { 2138}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 51   and name HB1 ))
 ASSI { 2139}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 51   and name HG1 ))
      2.500     0.800     0.800 peak  2139 spectrum    1 weight  0.10000E+01 volume  0.51749E-02 ppm1      3.442 ppm2      1.960 CV     1
 OR { 2139}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 34   and name HG1 ))
 ASSI { 2148}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 12   and name HB1 ))
      2.500     0.800     0.800 peak  2148 spectrum    1 weight  0.10000E+01 volume  0.58029E-02 ppm1      3.302 ppm2      2.014 CV     1
 OR { 2148}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 51   and name HB2 ))
 OR { 2148}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 12   and name HB2 ))
 ASSI { 2149}
   (( segid "    " and resid 34   and name HD2 ))
   (( segid "    " and resid 34   and name HG1 ))
      2.600     0.800     0.800 peak  2149 spectrum    1 weight  0.10000E+01 volume  0.54199E-02 ppm1      3.357 ppm2      1.924 CV     1
 OR { 2149}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 12   and name HG1 ))
 ASSI { 2154}
   (( segid "    " and resid 77   and name HB2 ))
   (  segid "    " and resid 68   and name HG1%)
      4.400     2.400     1.600 peak  2154 spectrum    1 weight  0.10000E+01 volume  0.61955E-03 ppm1      1.906 ppm2      1.115 CV     1
 OR { 2154}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 60   and name HG12))
 ASSI { 2155}
   (( segid "    " and resid 14   and name HB1 ))
   (  segid "    " and resid 15   and name HG2%)
      3.600     1.600     1.600 peak  2155 spectrum    1 weight  0.10000E+01 volume  0.12252E-02 ppm1      1.979 ppm2      1.114 CV     1
 OR { 2155}
   (( segid "    " and resid 14   and name HB1 ))
   (  segid "    " and resid 10   and name HD2%)
 OR { 2155}
   (( segid "    " and resid 14   and name HB1 ))
   (  segid "    " and resid 48   and name HG2%)
 ASSI { 2182}
   (( segid "    " and resid 23   and name HA1 ))
   (  segid "    " and resid 24   and name HG2%)
      3.700     1.700     1.700 peak  2182 spectrum    1 weight  0.10000E+01 volume  0.93066E-03 ppm1      4.073 ppm2      1.256 CV     1
 OR { 2182}
   (( segid "    " and resid 23   and name HA2 ))
   (  segid "    " and resid 24   and name HG2%)
 OR { 2182}
   (( segid "    " and resid 23   and name HA2 ))
   (  segid "    " and resid 21   and name HG2%)
 ASSI { 2192}
   (( segid "    " and resid 23   and name HA1 ))
   (( segid "    " and resid 22   and name HA  ))
      4.000     2.000     2.000 peak  2192 spectrum    1 weight  0.10000E+01 volume  0.87697E-03 ppm1      4.069 ppm2      4.731 CV     1
 OR { 2192}
   (( segid "    " and resid 23   and name HA2 ))
   (( segid "    " and resid 22   and name HA  ))
 OR { 2192}
   (( segid "    " and resid 23   and name HA1 ))
   (( segid "    " and resid 25   and name HA  ))
 ASSI { 2203}
   (( segid "    " and resid 23   and name HA1 ))
   (( segid "    " and resid 23   and name HN  ))
      2.200     0.600     0.600 peak  2203 spectrum    1 weight  0.10000E+01 volume  0.14715E-01 ppm1      4.070 ppm2      8.489 CV     1
 OR { 2203}
   (( segid "    " and resid 23   and name HA2 ))
   (( segid "    " and resid 23   and name HN  ))
 OR { 2203}
   (( segid "    " and resid 23   and name HA1 ))
   (( segid "    " and resid 20   and name HN  ))
 ASSI { 2210}
   (( segid "    " and resid 80   and name HA2 ))
   (( segid "    " and resid 82   and name HN  ))
      4.100     2.100     1.900 peak  2210 spectrum    1 weight  0.10000E+01 volume  0.89910E-03 ppm1      4.020 ppm2      8.286 CV     1
 OR { 2210}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 82   and name HN  ))
 OR { 2210}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 78   and name HN  ))
 ASSI { 2214}
   (( segid "    " and resid 57   and name HA1 ))
   (( segid "    " and resid 58   and name HA  ))
      3.800     1.800     1.800 peak  2214 spectrum    1 weight  0.10000E+01 volume  0.10317E-02 ppm1      4.089 ppm2      4.679 CV     1
 OR { 2214}
   (( segid "    " and resid 57   and name HA2 ))
   (( segid "    " and resid 56   and name HA  ))
 OR { 2214}
   (( segid "    " and resid 57   and name HA2 ))
   (( segid "    " and resid 58   and name HA  ))
 OR { 2214}
   (( segid "    " and resid 57   and name HA1 ))
   (( segid "    " and resid 56   and name HA  ))
 ASSI { 2223}
   (( segid "    " and resid 80   and name HA2 ))
   (  segid "    " and resid 83   and name HB% )
      3.000     1.100     1.100 peak  2223 spectrum    1 weight  0.10000E+01 volume  0.33964E-02 ppm1      4.020 ppm2      1.608 CV     1
 OR { 2223}
   (( segid "    " and resid 80   and name HA1 ))
   (  segid "    " and resid 83   and name HB% )
 OR { 2223}
   (( segid "    " and resid 80   and name HA1 ))
   (  segid "    " and resid 81   and name HB% )
 OR { 2223}
   (( segid "    " and resid 80   and name HA2 ))
   (  segid "    " and resid 81   and name HB% )
 ASSI { 2224}
   (( segid "    " and resid 57   and name HA2 ))
   (  segid "    " and resid 58   and name HG2%)
      4.000     2.000     2.000 peak  2224 spectrum    1 weight  0.10000E+01 volume  0.12016E-02 ppm1      4.090 ppm2      0.961 CV     1
 OR { 2224}
   (( segid "    " and resid 57   and name HA1 ))
   (  segid "    " and resid 58   and name HG2%)
 OR { 2224}
   (( segid "    " and resid 57   and name HA2 ))
   (  segid "    " and resid 82   and name HD2%)
 OR { 2224}
   (( segid "    " and resid 57   and name HA1 ))
   (  segid "    " and resid 82   and name HD2%)
 ASSI { 2227}
   (( segid "    " and resid 71   and name HD2 ))
   (  segid "    " and resid 14   and name HD2%)
      3.300     1.400     1.400 peak  2227 spectrum    1 weight  0.10000E+01 volume  0.58474E-03 ppm1      2.795 ppm2      0.874 CV     1
 OR { 2227}
   (( segid "    " and resid 71   and name HD2 ))
   (  segid "    " and resid 38   and name HD1%)
 OR { 2227}
   (( segid "    " and resid 71   and name HD2 ))
   (  segid "    " and resid 75   and name HD2%)
 ASSI { 2228}
   (( segid "    " and resid 61   and name HD2 ))
   (  segid "    " and resid 64   and name HG2%)
      2.300     0.700     0.700 peak  2228 spectrum    1 weight  0.10000E+01 volume  0.59816E-02 ppm1      3.569 ppm2      1.021 CV     1
 OR { 2228}
   (( segid "    " and resid 61   and name HD2 ))
   (  segid "    " and resid 60   and name HG2%)
 ASSI { 2235}
   (( segid "    " and resid 61   and name HD1 ))
   (  segid "    " and resid 64   and name HG2%)
      3.600     1.600     1.600 peak  2235 spectrum    1 weight  0.10000E+01 volume  0.39861E-02 ppm1      4.005 ppm2      1.020 CV     1
 OR { 2235}
   (( segid "    " and resid 61   and name HD1 ))
   (  segid "    " and resid 60   and name HG2%)
 ASSI { 2254}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 33   and name HN  ))
      3.500     1.500     1.500 peak  2254 spectrum    1 weight  0.10000E+01 volume  0.50423E-03 ppm1      2.796 ppm2      7.203 CV     1
 OR { 2254}
   (( segid "    " and resid 71   and name HD2 ))
   (  segid "    " and resid 30   and name HE% )
 ASSI { 2255}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 33   and name HN  ))
      3.700     1.700     1.700 peak  2255 spectrum    1 weight  0.10000E+01 volume  0.72798E-03 ppm1      4.019 ppm2      7.206 CV     1
 OR { 2255}
   (( segid "    " and resid 71   and name HD1 ))
   (  segid "    " and resid 30   and name HE% )
 ASSI { 2260}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      2.700     0.900     0.900 peak  2260 spectrum    1 weight  0.10000E+01 volume  0.40524E-02 ppm1      4.372 ppm2      7.842 CV     1
 OR { 2260}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
 ASSI { 2270}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 18   and name HB% )
      2.100     0.600     0.600 peak  2270 spectrum    1 weight  0.10000E+01 volume  0.12652E-01 ppm1      4.370 ppm2      1.541 CV     1
 OR { 2270}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 44   and name HB% )
 ASSI { 2278}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
      4.100     2.100     1.900 peak  2278 spectrum    1 weight  0.10000E+01 volume  0.90103E-03 ppm1      4.373 ppm2      4.044 CV     1
 OR { 2278}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 19   and name HA2 ))
 OR { 2278}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 19   and name HA1 ))
 OR { 2278}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 23   and name HA1 ))
 OR { 2278}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 23   and name HA2 ))
 ASSI { 2281}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      2.100     0.600     0.600 peak  2281 spectrum    1 weight  0.10000E+01 volume  0.13991E-01 ppm1      4.711 ppm2      8.471 CV     1
 OR { 2281}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
 OR { 2281}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
 ASSI { 2285}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
      2.500     0.800     0.800 peak  2285 spectrum    1 weight  0.10000E+01 volume  0.66904E-02 ppm1      4.715 ppm2      2.862 CV     1
 OR { 2285}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HB1 ))
 OR { 2285}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB1 ))
 ASSI { 2289}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 70   and name HG2%)
      3.400     1.500     1.500 peak  2289 spectrum    1 weight  0.10000E+01 volume  0.16773E-02 ppm1      5.033 ppm2      1.067 CV     1
 OR { 2289}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 33   and name HD2%)
 ASSI { 2305}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 30   and name HD% )
      4.400     2.500     1.600 peak  2305 spectrum    1 weight  0.10000E+01 volume  0.70553E-03 ppm1      4.354 ppm2      7.312 CV     1
 OR { 2305}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 11   and name HE  ))
 ASSI { 2310}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 84   and name HB2 ))
      3.800     1.800     1.800 peak  2310 spectrum    1 weight  0.10000E+01 volume  0.95753E-03 ppm1      4.455 ppm2      2.132 CV     1
 OR { 2310}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 58   and name HB  ))
 ASSI { 2322}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 33   and name HD2%)
      3.100     1.200     1.200 peak  2322 spectrum    1 weight  0.10000E+01 volume  0.25241E-02 ppm1      4.308 ppm2      1.068 CV     1
 OR { 2322}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 70   and name HG2%)
 ASSI { 2324}
   (( segid "    " and resid 81   and name HA  ))
   (  segid "    " and resid 58   and name HG2%)
      4.700     2.800     1.300 peak  2324 spectrum    1 weight  0.10000E+01 volume  0.57792E-03 ppm1      4.460 ppm2      0.959 CV     1
 OR { 2324}
   (( segid "    " and resid 81   and name HA  ))
   (  segid "    " and resid 82   and name HD2%)
 OR { 2324}
   (( segid "    " and resid 81   and name HA  ))
   (  segid "    " and resid 82   and name HD1%)
 ASSI { 2339}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 82   and name HD1%)
      2.500     0.800     0.800 peak  2339 spectrum    1 weight  0.10000E+01 volume  0.48344E-02 ppm1      4.358 ppm2      0.978 CV     1
 OR { 2339}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 4    and name HD2%)
 ASSI { 2340}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 4    and name HD1%)
      3.100     1.200     1.200 peak  2340 spectrum    1 weight  0.10000E+01 volume  0.50194E-02 ppm1      4.358 ppm2      0.878 CV     1
 OR { 2340}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 78   and name HG2%)
 ASSI { 2344}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 64   and name HG1%)
      2.800     1.000     1.000 peak  2344 spectrum    1 weight  0.10000E+01 volume  0.37980E-02 ppm1      3.966 ppm2      0.961 CV     1
 OR { 2344}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 77   and name HD1%)
 OR { 2344}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 74   and name HG  ))
 ASSI { 2349}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 16   and name HB1 ))
      3.500     1.600     1.600 peak  2349 spectrum    1 weight  0.10000E+01 volume  0.22978E-02 ppm1      4.400 ppm2      2.257 CV     1
 OR { 2349}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 15   and name HB  ))
 ASSI { 2351}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 12   and name HB1 ))
      3.600     1.600     1.600 peak  2351 spectrum    1 weight  0.10000E+01 volume  0.10974E-02 ppm1      4.394 ppm2      2.021 CV     1
 OR { 2351}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 12   and name HB2 ))
 OR { 2351}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 52   and name HG  ))
 ASSI { 2399}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 83   and name HN  ))
      4.900     2.900     1.100 peak  2399 spectrum    1 weight  0.10000E+01 volume  0.33930E-03 ppm1      4.391 ppm2      7.950 CV     1
 OR { 2399}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 86   and name HN  ))
 ASSI { 2402}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 83   and name HN  ))
      3.200     1.300     1.300 peak  2402 spectrum    1 weight  0.10000E+01 volume  0.15853E-02 ppm1      4.211 ppm2      7.960 CV     1
 OR { 2402}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 86   and name HN  ))
 ASSI { 2411}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 52   and name HB1 ))
      3.600     1.600     1.600 peak  2411 spectrum    1 weight  0.10000E+01 volume  0.28519E-02 ppm1      3.949 ppm2      2.211 CV     1
 OR { 2411}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 51   and name HB1 ))
 ASSI { 2417}
   (( segid "    " and resid 82   and name HA  ))
   (  segid "    " and resid 85   and name HB% )
      2.500     0.800     0.800 peak  2417 spectrum    1 weight  0.10000E+01 volume  0.52248E-02 ppm1      4.209 ppm2      1.560 CV     1
 OR { 2417}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HB2 ))
 ASSI { 2422}
   (( segid "    " and resid 84   and name HA  ))
   (  segid "    " and resid 83   and name HB% )
      4.100     2.100     1.900 peak  2422 spectrum    1 weight  0.10000E+01 volume  0.74902E-03 ppm1      4.391 ppm2      1.591 CV     1
 OR { 2422}
   (( segid "    " and resid 84   and name HA  ))
   (  segid "    " and resid 85   and name HB% )
 ASSI { 2423}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 52   and name HD2%)
      4.100     2.100     1.900 peak  2423 spectrum    1 weight  0.10000E+01 volume  0.14524E-02 ppm1      3.951 ppm2      1.037 CV     1
 OR { 2423}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 60   and name HG2%)
 ASSI { 2424}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 52   and name HD1%)
      2.700     0.900     0.900 peak  2424 spectrum    1 weight  0.10000E+01 volume  0.40412E-02 ppm1      3.948 ppm2      0.857 CV     1
 OR { 2424}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 78   and name HG2%)
 ASSI { 2427}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 52   and name HG  ))
      3.600     1.700     1.700 peak  2427 spectrum    1 weight  0.10000E+01 volume  0.82836E-03 ppm1      3.946 ppm2      2.035 CV     1
 OR { 2427}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 51   and name HB2 ))
 ASSI { 2428}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      2.800     1.000     1.000 peak  2428 spectrum    1 weight  0.10000E+01 volume  0.23338E-02 ppm1      4.736 ppm2      8.044 CV     1
 OR { 2428}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
 ASSI { 2436}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 60   and name HG2%)
      2.700     0.900     0.900 peak  2436 spectrum    1 weight  0.10000E+01 volume  0.33547E-02 ppm1      4.660 ppm2      1.014 CV     1
 OR { 2436}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 64   and name HG2%)
 ASSI { 2437}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 44   and name HB% )
      3.100     1.200     1.200 peak  2437 spectrum    1 weight  0.10000E+01 volume  0.39283E-02 ppm1      4.585 ppm2      1.522 CV     1
 OR { 2437}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 45   and name HB2 ))
 OR { 2437}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 38   and name HG12))
 ASSI { 2440}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 12   and name HB2 ))
      3.000     1.100     1.100 peak  2440 spectrum    1 weight  0.10000E+01 volume  0.26729E-02 ppm1      4.548 ppm2      2.023 CV     1
 OR { 2440}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
 OR { 2440}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 12   and name HB1 ))
 OR { 2440}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI { 2447}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HB2 ))
      2.200     0.600     0.600 peak  2447 spectrum    1 weight  0.10000E+01 volume  0.68866E-02 ppm1      4.483 ppm2      2.742 CV     1
 OR { 2447}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 79   and name HB2 ))
 ASSI { 2458}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      3.500     1.600     1.600 peak  2458 spectrum    1 weight  0.10000E+01 volume  0.10594E-02 ppm1      4.621 ppm2      8.859 CV     1
 OR { 2458}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
 ASSI { 2464}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      3.700     1.700     1.700 peak  2464 spectrum    1 weight  0.10000E+01 volume  0.89949E-03 ppm1      3.306 ppm2      8.039 CV     1
 OR { 2464}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
 ASSI { 2465}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      3.900     1.900     1.900 peak  2465 spectrum    1 weight  0.10000E+01 volume  0.68039E-03 ppm1      3.303 ppm2      7.209 CV     1
 OR { 2465}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 30   and name HE% )
 ASSI { 2467}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      3.100     1.200     1.200 peak  2467 spectrum    1 weight  0.10000E+01 volume  0.17620E-02 ppm1      3.884 ppm2      8.256 CV     1
 OR { 2467}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
 ASSI { 2495}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 48   and name HB  ))
      2.500     0.800     0.800 peak  2495 spectrum    1 weight  0.10000E+01 volume  0.30374E-02 ppm1      3.883 ppm2      4.408 CV     1
 OR { 2495}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 14   and name HA  ))
 ASSI { 2496}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 74   and name HA  ))
      3.600     1.600     1.600 peak  2496 spectrum    1 weight  0.10000E+01 volume  0.14540E-02 ppm1      3.880 ppm2      4.291 CV     1
 OR { 2496}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 44   and name HA  ))
 OR { 2496}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 42   and name HA  ))
 OR { 2496}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 77   and name HA  ))
 ASSI { 2497}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 46   and name HA  ))
      3.800     1.800     1.800 peak  2497 spectrum    1 weight  0.10000E+01 volume  0.14075E-02 ppm1      3.882 ppm2      4.250 CV     1
 OR { 2497}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 42   and name HA  ))
 OR { 2497}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 73   and name HA  ))
 OR { 2497}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 47   and name HA  ))
 OR { 2497}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 77   and name HA  ))
 OR { 2497}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 71   and name HA  ))
 ASSI { 2498}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HB1 ))
      2.900     1.000     1.000 peak  2498 spectrum    1 weight  0.10000E+01 volume  0.28015E-02 ppm1      4.305 ppm2      2.415 CV     1
 OR { 2498}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 68   and name HB  ))
 ASSI { 2499}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HB1 ))
      2.500     0.800     0.800 peak  2499 spectrum    1 weight  0.10000E+01 volume  0.34538E-02 ppm1      4.306 ppm2      2.211 CV     1
 OR { 2499}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 51   and name HB1 ))
 ASSI { 2505}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB1 ))
      2.700     0.900     0.900 peak  2505 spectrum    1 weight  0.10000E+01 volume  0.21557E-02 ppm1      3.305 ppm2      1.628 CV     1
 OR { 2505}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 72   and name HB2 ))
 ASSI { 2507}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HB2 ))
      2.100     0.500     0.500 peak  2507 spectrum    1 weight  0.10000E+01 volume  0.83182E-02 ppm1      3.883 ppm2      1.527 CV     1
 OR { 2507}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HB2 ))
 OR { 2507}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 44   and name HB% )
 ASSI { 2508}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HG  ))
      3.200     1.300     1.300 peak  2508 spectrum    1 weight  0.10000E+01 volume  0.17953E-02 ppm1      3.881 ppm2      1.351 CV     1
 OR { 2508}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 5    and name HB2 ))
 ASSI { 2511}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HB1 ))
      2.500     0.800     0.800 peak  2511 spectrum    1 weight  0.10000E+01 volume  0.89897E-02 ppm1      4.276 ppm2      1.891 CV     1
 OR { 2511}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HB2 ))
 ASSI { 2512}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HB2 ))
      2.400     0.700     0.700 peak  2512 spectrum    1 weight  0.10000E+01 volume  0.51869E-02 ppm1      4.305 ppm2      1.694 CV     1
 OR { 2512}
   (( segid "    " and resid 52   and name HA  ))
   (  segid "    " and resid 13   and name HB% )
 ASSI { 2521}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 14   and name HB1 ))
      4.600     2.600     1.400 peak  2521 spectrum    1 weight  0.10000E+01 volume  0.42972E-03 ppm1      4.211 ppm2      2.011 CV     1
 OR { 2521}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 52   and name HG  ))
 OR { 2521}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 12   and name HB2 ))
 OR { 2521}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 12   and name HB1 ))
 ASSI { 2533}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 48   and name HG2%)
      3.200     1.300     1.300 peak  2533 spectrum    1 weight  0.10000E+01 volume  0.26517E-02 ppm1      3.884 ppm2      1.123 CV     1
 OR { 2533}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 10   and name HD2%)
 ASSI { 2534}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 74   and name HG  ))
      4.000     2.000     2.000 peak  2534 spectrum    1 weight  0.10000E+01 volume  0.87627E-03 ppm1      3.885 ppm2      1.004 CV     1
 OR { 2534}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 82   and name HD1%)
 OR { 2534}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 74   and name HG  ))
 OR { 2534}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 82   and name HD2%)
 ASSI { 2535}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 10   and name HD1%)
      2.300     0.700     0.700 peak  2535 spectrum    1 weight  0.10000E+01 volume  0.99788E-02 ppm1      4.209 ppm2      1.041 CV     1
 OR { 2535}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 52   and name HD2%)
 ASSI { 2536}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 52   and name HD1%)
      3.200     1.300     1.300 peak  2536 spectrum    1 weight  0.10000E+01 volume  0.12671E-02 ppm1      4.207 ppm2      0.868 CV     1
 OR { 2536}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 75   and name HD2%)
 ASSI { 2537}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 75   and name HD1%)
      4.000     2.000     2.000 peak  2537 spectrum    1 weight  0.10000E+01 volume  0.92322E-03 ppm1      4.210 ppm2      0.780 CV     1
 OR { 2537}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 14   and name HD1%)
 OR { 2537}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 78   and name HD1%)
 OR { 2537}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 31   and name HD2%)
 ASSI { 2539}
   (( segid "    " and resid 52   and name HA  ))
   (  segid "    " and resid 52   and name HD2%)
      2.000     0.500     0.500 peak  2539 spectrum    1 weight  0.10000E+01 volume  0.17754E-01 ppm1      4.304 ppm2      1.045 CV     1
 OR { 2539}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 74   and name HD2%)
 OR { 2539}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 74   and name HD1%)
 ASSI { 2541}
   (( segid "    " and resid 52   and name HA  ))
   (  segid "    " and resid 52   and name HD1%)
      3.900     1.900     1.900 peak  2541 spectrum    1 weight  0.10000E+01 volume  0.18613E-02 ppm1      4.303 ppm2      0.852 CV     1
 OR { 2541}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 60   and name HD1%)
 OR { 2541}
   (( segid "    " and resid 52   and name HA  ))
   (  segid "    " and resid 78   and name HG2%)
 ASSI { 2544}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 14   and name HD2%)
      4.100     2.100     1.900 peak  2544 spectrum    1 weight  0.10000E+01 volume  0.13008E-02 ppm1      4.393 ppm2      0.877 CV     1
 OR { 2544}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 52   and name HD1%)
 ASSI { 2549}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 58   and name HG2%)
      2.900     1.000     1.000 peak  2549 spectrum    1 weight  0.10000E+01 volume  0.85760E-02 ppm1      4.681 ppm2      0.963 CV     1
 OR { 2549}
   (( segid "    " and resid 56   and name HA  ))
   (  segid "    " and resid 82   and name HD2%)
 OR { 2549}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 82   and name HD2%)
 OR { 2549}
   (( segid "    " and resid 56   and name HA  ))
   (  segid "    " and resid 82   and name HD1%)
 ASSI { 2556}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 57   and name HA1 ))
      3.400     1.400     1.400 peak  2556 spectrum    1 weight  0.10000E+01 volume  0.21505E-02 ppm1      4.679 ppm2      4.087 CV     1
 OR { 2556}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 57   and name HA2 ))
 OR { 2556}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 57   and name HA2 ))
 OR { 2556}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 55   and name HA  ))
 OR { 2556}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 57   and name HA1 ))
 OR { 2556}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 53   and name HA  ))
 ASSI { 2566}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      3.500     1.500     1.500 peak  2566 spectrum    1 weight  0.10000E+01 volume  0.85683E-03 ppm1      4.246 ppm2      8.749 CV     1
 OR { 2566}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
 ASSI { 2573}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      3.400     1.400     1.400 peak  2573 spectrum    1 weight  0.10000E+01 volume  0.15783E-02 ppm1      4.234 ppm2      8.223 CV     1
 OR { 2573}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
 OR { 2573}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
 ASSI { 2575}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      2.500     0.800     0.800 peak  2575 spectrum    1 weight  0.10000E+01 volume  0.48194E-02 ppm1      4.260 ppm2      8.240 CV     1
 OR { 2575}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
 OR { 2575}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
 ASSI { 2578}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      3.400     1.400     1.400 peak  2578 spectrum    1 weight  0.10000E+01 volume  0.14188E-02 ppm1      4.261 ppm2      8.485 CV     1
 OR { 2578}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
 OR { 2578}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
 OR { 2578}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
 ASSI { 2581}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
      3.400     1.400     1.400 peak  2581 spectrum    1 weight  0.10000E+01 volume  0.12496E-02 ppm1      4.361 ppm2      7.712 CV     1
 OR { 2581}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
 ASSI { 2584}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 79   and name HD22))
      4.900     3.000     1.100 peak  2584 spectrum    1 weight  0.10000E+01 volume  0.36058E-03 ppm1      3.886 ppm2      7.699 CV     1
 OR { 2584}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
 ASSI { 2593}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 76   and name HB1 ))
      2.600     0.800     0.800 peak  2593 spectrum    1 weight  0.10000E+01 volume  0.37008E-02 ppm1      4.243 ppm2      2.751 CV     1
 OR { 2593}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HG2 ))
 ASSI { 2594}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HG1 ))
      3.500     1.500     1.500 peak  2594 spectrum    1 weight  0.10000E+01 volume  0.18719E-02 ppm1      4.261 ppm2      2.842 CV     1
 OR { 2594}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 46   and name HG1 ))
 ASSI { 2600}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 78   and name HB  ))
      3.100     1.200     1.200 peak  2600 spectrum    1 weight  0.10000E+01 volume  0.11204E-02 ppm1      3.892 ppm2      1.927 CV     1
 OR { 2600}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 77   and name HB2 ))
 ASSI { 2605}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 50   and name HB% )
      2.500     0.800     0.800 peak  2605 spectrum    1 weight  0.10000E+01 volume  0.61823E-02 ppm1      4.230 ppm2      1.648 CV     1
 OR { 2605}
   (( segid "    " and resid 51   and name HA  ))
   (  segid "    " and resid 50   and name HB% )
 ASSI { 2610}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 49   and name HB% )
      2.800     1.000     1.000 peak  2610 spectrum    1 weight  0.10000E+01 volume  0.26829E-02 ppm1      4.252 ppm2      1.525 CV     1
 OR { 2610}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 72   and name HG2 ))
 ASSI { 2627}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HG2 ))
      2.900     1.000     1.000 peak  2627 spectrum    1 weight  0.10000E+01 volume  0.43343E-02 ppm1      3.605 ppm2      1.527 CV     1
 OR { 2627}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 75   and name HB2 ))
 ASSI { 2629}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 10   and name HD1%)
      4.100     2.100     1.900 peak  2629 spectrum    1 weight  0.10000E+01 volume  0.13540E-02 ppm1      3.607 ppm2      1.037 CV     1
 OR { 2629}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
 ASSI { 2631}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 31   and name HD2%)
      3.600     1.600     1.600 peak  2631 spectrum    1 weight  0.10000E+01 volume  0.15019E-02 ppm1      3.603 ppm2      0.782 CV     1
 OR { 2631}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 75   and name HD1%)
 ASSI { 2634}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 10   and name HG  ))
      3.700     1.700     1.700 peak  2634 spectrum    1 weight  0.10000E+01 volume  0.85158E-03 ppm1      3.519 ppm2      1.889 CV     1
 OR { 2634}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 14   and name HG  ))
 ASSI { 2636}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HG2 ))
      3.000     1.200     1.200 peak  2636 spectrum    1 weight  0.10000E+01 volume  0.27819E-02 ppm1      3.518 ppm2      1.151 CV     1
 OR { 2636}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 10   and name HD2%)
 ASSI { 2637}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 14   and name HD2%)
      3.000     1.200     1.200 peak  2637 spectrum    1 weight  0.10000E+01 volume  0.22825E-02 ppm1      3.518 ppm2      0.892 CV     1
 OR { 2637}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 52   and name HD1%)
 ASSI { 2638}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 26   and name HD2%)
      3.300     1.300     1.300 peak  2638 spectrum    1 weight  0.10000E+01 volume  0.16627E-02 ppm1      3.519 ppm2      0.790 CV     1
 OR { 2638}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 31   and name HD2%)
 ASSI { 2641}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB1 ))
      2.300     0.600     0.600 peak  2641 spectrum    1 weight  0.10000E+01 volume  0.98601E-02 ppm1      4.030 ppm2      2.023 CV     1
 OR { 2641}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB2 ))
 OR { 2641}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI { 2643}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HG2 ))
      2.700     0.900     0.900 peak  2643 spectrum    1 weight  0.10000E+01 volume  0.32959E-02 ppm1      4.029 ppm2      1.686 CV     1
 OR { 2643}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 13   and name HB% )
 ASSI { 2645}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 45   and name HG  ))
      3.800     1.800     1.800 peak  2645 spectrum    1 weight  0.10000E+01 volume  0.16763E-02 ppm1      4.269 ppm2      1.375 CV     1
 OR { 2645}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 65   and name HB% )
 ASSI { 2647}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HG1 ))
      2.800     1.000     1.000 peak  2647 spectrum    1 weight  0.10000E+01 volume  0.36776E-02 ppm1      4.083 ppm2      2.762 CV     1
 OR { 2647}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 56   and name HB2 ))
 ASSI { 2662}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 11   and name HE  ))
      3.300     1.400     1.400 peak  2662 spectrum    1 weight  0.10000E+01 volume  0.14045E-02 ppm1      4.299 ppm2      7.320 CV     1
 OR { 2662}
   (( segid "    " and resid 27   and name HA  ))
   (  segid "    " and resid 30   and name HD% )
 ASSI { 2663}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 30   and name HZ  ))
      3.200     1.300     1.300 peak  2663 spectrum    1 weight  0.10000E+01 volume  0.16648E-02 ppm1      3.519 ppm2      7.332 CV     1
 OR { 2663}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HE  ))
 ASSI { 2671}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
      3.200     1.200     1.200 peak  2671 spectrum    1 weight  0.10000E+01 volume  0.16102E-02 ppm1      3.605 ppm2      8.716 CV     1
 OR { 2671}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
 ASSI { 2674}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
      3.700     1.700     1.700 peak  2674 spectrum    1 weight  0.10000E+01 volume  0.51184E-03 ppm1      4.075 ppm2      8.128 CV     1
 OR { 2674}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 60   and name HN  ))
 ASSI { 2675}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
      3.300     1.400     1.400 peak  2675 spectrum    1 weight  0.10000E+01 volume  0.11403E-02 ppm1      4.082 ppm2      8.033 CV     1
 OR { 2675}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
 ASSI { 2676}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      2.600     0.800     0.800 peak  2676 spectrum    1 weight  0.10000E+01 volume  0.59577E-02 ppm1      4.565 ppm2      7.826 CV     1
 OR { 2676}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI { 2678}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      4.100     2.100     1.900 peak  2678 spectrum    1 weight  0.10000E+01 volume  0.50238E-03 ppm1      4.562 ppm2      8.243 CV     1
 OR { 2678}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
 ASSI { 2679}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HH21))
      5.500     3.800     0.500 peak  2679 spectrum    1 weight  0.10000E+01 volume  0.39282E-03 ppm1      3.608 ppm2      6.900 CV     1
 OR { 2679}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HH11))
 OR { 2679}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HH22))
 OR { 2679}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HH12))
 ASSI { 2682}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      2.600     0.900     0.900 peak  2682 spectrum    1 weight  0.10000E+01 volume  0.39576E-02 ppm1      4.665 ppm2      7.720 CV     1
 OR { 2682}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI { 2686}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
      2.600     0.800     0.800 peak  2686 spectrum    1 weight  0.10000E+01 volume  0.57235E-02 ppm1      4.382 ppm2      8.038 CV     1
 OR { 2686}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
 ASSI { 2687}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 70   and name HN  ))
      3.400     1.500     1.500 peak  2687 spectrum    1 weight  0.10000E+01 volume  0.13633E-02 ppm1      4.436 ppm2      7.467 CV     1
 OR { 2687}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 67   and name HN  ))
 ASSI { 2691}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HB2 ))
      2.000     0.500     0.500 peak  2691 spectrum    1 weight  0.10000E+01 volume  0.22838E-01 ppm1      4.381 ppm2      4.110 CV     1
 OR { 2691}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HB1 ))
 OR { 2691}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 57   and name HA2 ))
 ASSI { 2708}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 54   and name HN  ))
      2.400     0.700     0.700 peak  2708 spectrum    1 weight  0.10000E+01 volume  0.86203E-02 ppm1      4.108 ppm2      8.041 CV     1
 OR { 2708}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HN  ))
 OR { 2708}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 55   and name HN  ))
 OR { 2708}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 55   and name HN  ))
 ASSI { 2710}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      3.500     1.600     1.600 peak  2710 spectrum    1 weight  0.10000E+01 volume  0.95227E-03 ppm1      4.329 ppm2      8.481 CV     1
 OR { 2710}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
 ASSI { 2713}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      3.800     1.800     1.800 peak  2713 spectrum    1 weight  0.10000E+01 volume  0.10214E-02 ppm1      4.373 ppm2      7.711 CV     1
 OR { 2713}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI { 2730}
   (( segid "    " and resid 54   and name HB2 ))
   (  segid "    " and resid 50   and name HB% )
      3.900     1.900     1.900 peak  2730 spectrum    1 weight  0.10000E+01 volume  0.53325E-03 ppm1      4.109 ppm2      1.634 CV     1
 OR { 2730}
   (( segid "    " and resid 54   and name HB1 ))
   (  segid "    " and resid 50   and name HB% )
 OR { 2730}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 55   and name HB2 ))
 OR { 2730}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 55   and name HB2 ))
 ASSI { 2735}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 38   and name HD1%)
      2.800     1.000     1.000 peak  2735 spectrum    1 weight  0.10000E+01 volume  0.31589E-02 ppm1      4.376 ppm2      0.868 CV     1
 OR { 2735}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 4    and name HD1%)
 ASSI { 2738}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 17   and name HN  ))
      3.200     1.300     1.300 peak  2738 spectrum    1 weight  0.10000E+01 volume  0.28360E-02 ppm1      4.140 ppm2      7.823 CV     1
 OR { 2738}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI { 2739}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
      2.500     0.800     0.800 peak  2739 spectrum    1 weight  0.10000E+01 volume  0.42635E-02 ppm1      4.053 ppm2      7.825 CV     1
 OR { 2739}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI { 2742}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
      2.600     0.900     0.900 peak  2742 spectrum    1 weight  0.10000E+01 volume  0.34812E-02 ppm1      3.739 ppm2      8.273 CV     1
 OR { 2742}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 82   and name HN  ))
 ASSI { 2753}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 14   and name HA  ))
      3.800     1.800     1.800 peak  2753 spectrum    1 weight  0.10000E+01 volume  0.11268E-02 ppm1      4.135 ppm2      4.399 CV     1
 OR { 2753}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 48   and name HB  ))
 OR { 2753}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 18   and name HA  ))
 ASSI { 2754}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 14   and name HA  ))
      3.300     1.400     1.400 peak  2754 spectrum    1 weight  0.10000E+01 volume  0.99012E-03 ppm1      4.044 ppm2      4.402 CV     1
 OR { 2754}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 48   and name HB  ))
 OR { 2754}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 18   and name HA  ))
 ASSI { 2762}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 60   and name HA  ))
      3.800     1.800     1.800 peak  2762 spectrum    1 weight  0.10000E+01 volume  0.86902E-03 ppm1      3.796 ppm2      4.676 CV     1
 OR { 2762}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 58   and name HA  ))
 ASSI { 2763}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 58   and name HA  ))
      3.500     1.500     1.500 peak  2763 spectrum    1 weight  0.10000E+01 volume  0.83047E-03 ppm1      3.749 ppm2      4.684 CV     1
 OR { 2763}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 60   and name HA  ))
 ASSI { 2766}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 47   and name HB2 ))
      4.500     2.500     1.500 peak  2766 spectrum    1 weight  0.10000E+01 volume  0.50032E-03 ppm1      4.139 ppm2      2.197 CV     1
 OR { 2766}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 51   and name HB1 ))
 ASSI { 2767}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 51   and name HB1 ))
      4.200     2.200     1.800 peak  2767 spectrum    1 weight  0.10000E+01 volume  0.74344E-03 ppm1      4.051 ppm2      2.198 CV     1
 OR { 2767}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 47   and name HB2 ))
 ASSI { 2773}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 62   and name HB2 ))
      4.900     3.100     1.100 peak  2773 spectrum    1 weight  0.10000E+01 volume  0.59537E-03 ppm1      4.523 ppm2      2.745 CV     1
 OR { 2773}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 63   and name HB2 ))
 ASSI { 2775}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HB  ))
      3.000     1.100     1.100 peak  2775 spectrum    1 weight  0.10000E+01 volume  0.20948E-02 ppm1      3.743 ppm2      1.938 CV     1
 OR { 2775}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 77   and name HB2 ))
 ASSI { 2778}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 58   and name HB  ))
      4.000     2.000     2.000 peak  2778 spectrum    1 weight  0.10000E+01 volume  0.66288E-03 ppm1      3.745 ppm2      2.126 CV     1
 OR { 2778}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 58   and name HB  ))
 OR { 2778}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 61   and name HG1 ))
 ASSI { 2780}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 58   and name HB  ))
      5.000     3.100     1.000 peak  2780 spectrum    1 weight  0.10000E+01 volume  0.35416E-03 ppm1      3.790 ppm2      2.127 CV     1
 OR { 2780}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 61   and name HG1 ))
 OR { 2780}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 61   and name HG2 ))
 ASSI { 2781}
   (( segid "    " and resid 17   and name HB1 ))
   (  segid "    " and resid 44   and name HB% )
      4.000     2.000     2.000 peak  2781 spectrum    1 weight  0.10000E+01 volume  0.76095E-03 ppm1      4.141 ppm2      1.531 CV     1
 OR { 2781}
   (( segid "    " and resid 17   and name HB1 ))
   (  segid "    " and resid 18   and name HB% )
 OR { 2781}
   (( segid "    " and resid 17   and name HB1 ))
   (  segid "    " and resid 49   and name HB% )
 ASSI { 2782}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 18   and name HB% )
      4.000     2.000     2.000 peak  2782 spectrum    1 weight  0.10000E+01 volume  0.97857E-03 ppm1      4.051 ppm2      1.528 CV     1
 OR { 2782}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 44   and name HB% )
 OR { 2782}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 49   and name HB% )
 ASSI { 2784}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 78   and name HG2%)
      2.200     0.600     0.600 peak  2784 spectrum    1 weight  0.10000E+01 volume  0.84356E-02 ppm1      3.741 ppm2      0.859 CV     1
 OR { 2784}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 60   and name HD1%)
 ASSI { 2793}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      3.200     1.300     1.300 peak  2793 spectrum    1 weight  0.10000E+01 volume  0.23268E-02 ppm1      3.938 ppm2      8.220 CV     1
 OR { 2793}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
 ASSI { 2796}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      2.600     0.800     0.800 peak  2796 spectrum    1 weight  0.10000E+01 volume  0.41736E-02 ppm1      3.939 ppm2      8.447 CV     1
 OR { 2796}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
 ASSI { 2797}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      3.300     1.400     1.400 peak  2797 spectrum    1 weight  0.10000E+01 volume  0.11208E-02 ppm1      3.937 ppm2      7.831 CV     1
 OR { 2797}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
 ASSI { 2805}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 42   and name H28B))
      3.800     1.800     1.800 peak  2805 spectrum    1 weight  0.10000E+01 volume  0.58079E-03 ppm1      4.346 ppm2      3.909 CV     1
 OR { 2805}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 45   and name HA  ))
 ASSI { 2806}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 42   and name H28B))
      4.100     2.100     1.900 peak  2806 spectrum    1 weight  0.10000E+01 volume  0.45695E-03 ppm1      4.197 ppm2      3.911 CV     1
 OR { 2806}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 45   and name HA  ))
 ASSI { 2809}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 31   and name HA  ))
      4.600     2.700     1.400 peak  2809 spectrum    1 weight  0.10000E+01 volume  0.79347E-03 ppm1      4.226 ppm2      3.303 CV     1
 OR { 2809}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 30   and name HB1 ))
 ASSI { 2812}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 74   and name HB1 ))
      2.700     0.900     0.900 peak  2812 spectrum    1 weight  0.10000E+01 volume  0.28836E-02 ppm1      4.227 ppm2      2.421 CV     1
 OR { 2812}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 68   and name HB  ))
 ASSI { 2818}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 67   and name HB1 ))
      3.400     1.400     1.400 peak  2818 spectrum    1 weight  0.10000E+01 volume  0.12588E-02 ppm1      3.814 ppm2      2.082 CV     1
 OR { 2818}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 61   and name HB2 ))
 ASSI { 2824}
   (( segid "    " and resid 64   and name HA  ))
   (  segid "    " and resid 64   and name HG2%)
      2.300     0.700     0.700 peak  2824 spectrum    1 weight  0.10000E+01 volume  0.91469E-02 ppm1      3.813 ppm2      1.015 CV     1
 OR { 2824}
   (( segid "    " and resid 64   and name HA  ))
   (  segid "    " and resid 60   and name HG2%)
 ASSI { 2826}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 10   and name HD2%)
      3.300     1.400     1.400 peak  2826 spectrum    1 weight  0.10000E+01 volume  0.20645E-02 ppm1      4.223 ppm2      1.108 CV     1
 OR { 2826}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 68   and name HG1%)
 OR { 2826}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 70   and name HG2%)
 OR { 2826}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 48   and name HG2%)
 ASSI { 2827}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 74   and name HG  ))
      3.800     1.800     1.800 peak  2827 spectrum    1 weight  0.10000E+01 volume  0.13998E-02 ppm1      4.226 ppm2      0.978 CV     1
 OR { 2827}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI { 2828}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 14   and name HD1%)
      4.400     2.400     1.600 peak  2828 spectrum    1 weight  0.10000E+01 volume  0.69662E-03 ppm1      4.223 ppm2      0.770 CV     1
 OR { 2828}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 31   and name HD2%)
 ASSI { 2831}
   (( segid "    " and resid 42   and name HB2 ))
   (  segid "    " and resid 42   and name H31%)
      4.400     2.400     1.600 peak  2831 spectrum    1 weight  0.10000E+01 volume  0.32220E-03 ppm1      4.342 ppm2      1.075 CV     1
 OR { 2831}
   (( segid "    " and resid 42   and name HB2 ))
   (  segid "    " and resid 43   and name HD2%)
 ASSI { 2834}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
      2.700     0.900     0.900 peak  2834 spectrum    1 weight  0.10000E+01 volume  0.28683E-02 ppm1      3.863 ppm2      8.836 CV     1
 OR { 2834}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
 ASSI { 2841}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      4.300     2.300     1.700 peak  2841 spectrum    1 weight  0.10000E+01 volume  0.34490E-03 ppm1      3.954 ppm2      8.406 CV     1
 OR { 2841}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
 ASSI { 2843}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      4.600     2.600     1.400 peak  2843 spectrum    1 weight  0.10000E+01 volume  0.22905E-03 ppm1      3.961 ppm2      8.228 CV     1
 OR { 2843}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
 ASSI { 2854}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HB  ))
      3.700     1.700     1.700 peak  2854 spectrum    1 weight  0.10000E+01 volume  0.71919E-03 ppm1      3.961 ppm2      4.407 CV     1
 OR { 2854}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 14   and name HA  ))
 ASSI { 2857}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 8    and name HB2 ))
      4.900     3.000     1.100 peak  2857 spectrum    1 weight  0.10000E+01 volume  0.32322E-03 ppm1      3.865 ppm2      2.707 CV     1
 OR { 2857}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 8    and name HB1 ))
 OR { 2857}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 9    and name HB2 ))
 ASSI { 2859}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 51   and name HB1 ))
      3.000     1.100     1.100 peak  2859 spectrum    1 weight  0.10000E+01 volume  0.16716E-02 ppm1      3.954 ppm2      2.196 CV     1
 OR { 2859}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 52   and name HB1 ))
 ASSI { 2860}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 51   and name HB2 ))
      3.200     1.300     1.300 peak  2860 spectrum    1 weight  0.10000E+01 volume  0.13834E-02 ppm1      3.955 ppm2      2.021 CV     1
 OR { 2860}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 52   and name HG  ))
 ASSI { 2861}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
      4.300     2.300     1.700 peak  2861 spectrum    1 weight  0.10000E+01 volume  0.35380E-03 ppm1      3.866 ppm2      2.024 CV     1
 OR { 2861}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
 OR { 2861}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 71   and name HB2 ))
 ASSI { 2863}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 10   and name HB2 ))
      3.700     1.700     1.700 peak  2863 spectrum    1 weight  0.10000E+01 volume  0.15120E-02 ppm1      3.865 ppm2      1.570 CV     1
 OR { 2863}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 5    and name HB1 ))
 ASSI { 2867}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 52   and name HD2%)
      4.700     2.800     1.300 peak  2867 spectrum    1 weight  0.10000E+01 volume  0.28721E-03 ppm1      3.953 ppm2      1.014 CV     1
 OR { 2867}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 60   and name HG2%)
 ASSI { 2868}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 50   and name HB% )
      3.700     1.700     1.700 peak  2868 spectrum    1 weight  0.10000E+01 volume  0.97607E-03 ppm1      3.952 ppm2      1.676 CV     1
 OR { 2868}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 13   and name HB% )
 ASSI { 2869}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 75   and name HD2%)
      3.100     1.200     1.200 peak  2869 spectrum    1 weight  0.10000E+01 volume  0.19657E-02 ppm1      3.863 ppm2      0.873 CV     1
 OR { 2869}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 14   and name HD2%)
 ASSI { 2870}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 31   and name HD2%)
      3.100     1.200     1.200 peak  2870 spectrum    1 weight  0.10000E+01 volume  0.25742E-02 ppm1      3.863 ppm2      0.790 CV     1
 OR { 2870}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 75   and name HD1%)
 ASSI { 2886}
   (( segid "    " and resid 7    and name HB  ))
   (  segid "    " and resid 31   and name HD2%)
      4.600     2.600     1.400 peak  2886 spectrum    1 weight  0.10000E+01 volume  0.45486E-03 ppm1      4.318 ppm2      0.783 CV     1
 OR { 2886}
   (( segid "    " and resid 7    and name HB  ))
   (  segid "    " and resid 75   and name HD1%)
 ASSI { 2893}
   (( segid "    " and resid 3    and name HB  ))
   (  segid "    " and resid 82   and name HD1%)
      3.600     1.600     1.600 peak  2893 spectrum    1 weight  0.10000E+01 volume  0.15000E-02 ppm1      4.179 ppm2      0.979 CV     1
 OR { 2893}
   (( segid "    " and resid 3    and name HB  ))
   (  segid "    " and resid 4    and name HD2%)
 ASSI { 2894}
   (( segid "    " and resid 24   and name HB  ))
   (( segid "    " and resid 26   and name HN  ))
      4.000     2.000     2.000 peak  2894 spectrum    1 weight  0.10000E+01 volume  0.45204E-03 ppm1      4.225 ppm2      8.478 CV     1
 OR { 2894}
   (( segid "    " and resid 24   and name HB  ))
   (( segid "    " and resid 23   and name HN  ))
 OR { 2894}
   (( segid "    " and resid 24   and name HB  ))
   (( segid "    " and resid 45   and name HN  ))
 ASSI {    1}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      2.500     0.800     0.800 peak     1 spectrum    1 weight  0.10000E+01 volume  0.42780E-02 ppm1      8.485 ppm2      8.241 CV     1
 OR {    1}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
 OR {    1}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
 ASSI {    9}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      2.400     0.700     0.700 peak     9 spectrum    1 weight  0.10000E+01 volume  0.74459E-02 ppm1      8.234 ppm2      4.258 CV     1
 OR {    9}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
 OR {    9}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
 ASSI {   10}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      3.400     1.400     1.400 peak    10 spectrum    1 weight  0.10000E+01 volume  0.11488E-02 ppm1      8.240 ppm2      3.885 CV     1
 OR {   10}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 66   and name HA2 ))
 ASSI {   15}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HB1 ))
      3.000     1.100     1.100 peak    15 spectrum    1 weight  0.10000E+01 volume  0.51502E-02 ppm1      8.237 ppm2      2.335 CV     1
 OR {   15}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HB1 ))
 ASSI {   19}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HB  ))
      2.200     0.600     0.600 peak    19 spectrum    1 weight  0.10000E+01 volume  0.67077E-02 ppm1      8.213 ppm2      2.262 CV     1
 OR {   19}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
 ASSI {   21}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HB1 ))
      2.000     0.500     0.500 peak    21 spectrum    1 weight  0.10000E+01 volume  0.12072E-01 ppm1      8.228 ppm2      1.645 CV     1
 OR {   21}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 50   and name HB% )
 ASSI {   23}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 72   and name HB2 ))
      2.800     1.000     1.000 peak    23 spectrum    1 weight  0.10000E+01 volume  0.15254E-02 ppm1      9.063 ppm2      1.629 CV     1
 OR {   23}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 31   and name HB1 ))
 ASSI {   33}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 27   and name HA  ))
      3.800     1.800     1.800 peak    33 spectrum    1 weight  0.10000E+01 volume  0.71772E-03 ppm1      7.322 ppm2      4.300 CV     1
 OR {   33}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 7    and name HB  ))
 ASSI {   38}
   (( segid "    " and resid 72   and name HH21))
   (( segid "    " and resid 31   and name HB1 ))
      4.100     2.100     1.900 peak    38 spectrum    1 weight  0.10000E+01 volume  0.53876E-03 ppm1      6.883 ppm2      1.643 CV     1
 OR {   38}
   (( segid "    " and resid 72   and name HH11))
   (( segid "    " and resid 72   and name HG1 ))
 OR {   38}
   (( segid "    " and resid 72   and name HH11))
   (( segid "    " and resid 31   and name HB1 ))
 OR {   38}
   (( segid "    " and resid 72   and name HH12))
   (( segid "    " and resid 31   and name HB1 ))
 ASSI {   77}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      3.000     1.100     1.100 peak    77 spectrum    1 weight  0.10000E+01 volume  0.18244E-02 ppm1      8.248 ppm2      8.469 CV     1
 OR {   77}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
 ASSI {   82}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      3.400     1.400     1.400 peak    82 spectrum    1 weight  0.10000E+01 volume  0.14516E-02 ppm1      7.713 ppm2      4.362 CV     1
 OR {   82}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
 ASSI {   85}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
      4.200     2.200     1.800 peak    85 spectrum    1 weight  0.10000E+01 volume  0.56784E-03 ppm1      7.712 ppm2      3.005 CV     1
 OR {   85}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
 ASSI {  109}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 75   and name HG  ))
      3.100     1.200     1.200 peak   109 spectrum    1 weight  0.10000E+01 volume  0.14006E-02 ppm1      7.671 ppm2      1.690 CV     1
 OR {  109}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 4    and name HG  ))
 ASSI {  110}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 4    and name HB1 ))
      3.000     1.200     1.200 peak   110 spectrum    1 weight  0.10000E+01 volume  0.10675E-02 ppm1      7.672 ppm2      1.585 CV     1
 OR {  110}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 5    and name HG  ))
 OR {  110}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 5    and name HB1 ))
 ASSI {  113}
   (( segid "    " and resid 79   and name HD22))
   (  segid "    " and resid 4    and name HD2%)
      4.100     2.100     1.900 peak   113 spectrum    1 weight  0.10000E+01 volume  0.70194E-03 ppm1      7.672 ppm2      0.962 CV     1
 OR {  113}
   (( segid "    " and resid 79   and name HD22))
   (  segid "    " and resid 82   and name HD1%)
 ASSI {  116}
   (( segid "    " and resid 79   and name HD21))
   (  segid "    " and resid 82   and name HD1%)
      3.800     1.800     1.800 peak   116 spectrum    1 weight  0.10000E+01 volume  0.65595E-03 ppm1      7.324 ppm2      0.961 CV     1
 OR {  116}
   (( segid "    " and resid 79   and name HD21))
   (  segid "    " and resid 4    and name HD2%)
 ASSI {  117}
   (( segid "    " and resid 79   and name HD21))
   (  segid "    " and resid 78   and name HG2%)
      3.400     1.400     1.400 peak   117 spectrum    1 weight  0.10000E+01 volume  0.11777E-02 ppm1      7.325 ppm2      0.878 CV     1
 OR {  117}
   (( segid "    " and resid 79   and name HD21))
   (  segid "    " and resid 4    and name HD1%)
 OR {  117}
   (( segid "    " and resid 79   and name HD21))
   (  segid "    " and resid 75   and name HD2%)
 ASSI {  120}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 75   and name HG  ))
      3.600     1.600     1.600 peak   120 spectrum    1 weight  0.10000E+01 volume  0.15059E-02 ppm1      7.324 ppm2      1.692 CV     1
 OR {  120}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 4    and name HG  ))
 ASSI {  121}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 4    and name HB1 ))
      3.400     1.500     1.500 peak   121 spectrum    1 weight  0.10000E+01 volume  0.12588E-02 ppm1      7.325 ppm2      1.580 CV     1
 OR {  121}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 5    and name HG  ))
 OR {  121}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 82   and name HB2 ))
 OR {  121}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 5    and name HB1 ))
 ASSI {  124}
   (( segid "    " and resid 79   and name HD22))
   (  segid "    " and resid 75   and name HD2%)
      3.800     1.800     1.800 peak   124 spectrum    1 weight  0.10000E+01 volume  0.12388E-02 ppm1      7.669 ppm2      0.875 CV     1
 OR {  124}
   (( segid "    " and resid 79   and name HD22))
   (  segid "    " and resid 4    and name HD1%)
 OR {  124}
   (( segid "    " and resid 79   and name HD22))
   (  segid "    " and resid 78   and name HG2%)
 ASSI {  134}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      4.600     2.700     1.400 peak   134 spectrum    1 weight  0.10000E+01 volume  0.35904E-03 ppm1      7.473 ppm2      4.239 CV     1
 OR {  134}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI {  146}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 81   and name HB% )
      4.100     2.100     1.900 peak   146 spectrum    1 weight  0.10000E+01 volume  0.12979E-02 ppm1      8.418 ppm2      1.617 CV     1
 OR {  146}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 83   and name HB% )
 ASSI {  147}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 4    and name HD2%)
      4.100     2.100     1.900 peak   147 spectrum    1 weight  0.10000E+01 volume  0.68430E-03 ppm1      8.418 ppm2      0.965 CV     1
 OR {  147}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 82   and name HD1%)
 OR {  147}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
 OR {  147}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 82   and name HD2%)
 ASSI {  148}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
      4.200     2.300     1.800 peak   148 spectrum    1 weight  0.10000E+01 volume  0.58051E-03 ppm1      8.417 ppm2      0.870 CV     1
 OR {  148}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 4    and name HD1%)
 ASSI {  154}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      3.800     1.800     1.800 peak   154 spectrum    1 weight  0.10000E+01 volume  0.11172E-02 ppm1      8.417 ppm2      4.477 CV     1
 OR {  154}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
 ASSI {  155}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      3.100     1.200     1.200 peak   155 spectrum    1 weight  0.10000E+01 volume  0.13241E-02 ppm1      8.417 ppm2      4.270 CV     1
 OR {  155}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
 ASSI {  162}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      3.500     1.500     1.500 peak   162 spectrum    1 weight  0.10000E+01 volume  0.12360E-02 ppm1      7.966 ppm2      4.684 CV     1
 OR {  162}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
 ASSI {  168}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 30   and name HD% )
      3.900     1.900     1.900 peak   168 spectrum    1 weight  0.10000E+01 volume  0.41943E-03 ppm1      8.557 ppm2      7.313 CV     1
 OR {  168}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 11   and name HE  ))
 ASSI {  175}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
      3.500     1.500     1.500 peak   175 spectrum    1 weight  0.10000E+01 volume  0.17325E-02 ppm1      8.047 ppm2      1.627 CV     1
 OR {  175}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
 ASSI {  180}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      3.600     1.600     1.600 peak   180 spectrum    1 weight  0.10000E+01 volume  0.79058E-03 ppm1      8.046 ppm2      3.303 CV     1
 OR {  180}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
 ASSI {  188}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 53   and name HG1 ))
      4.500     2.500     1.500 peak   188 spectrum    1 weight  0.10000E+01 volume  0.51303E-03 ppm1      7.526 ppm2      2.776 CV     1
 OR {  188}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 56   and name HB2 ))
 ASSI {  194}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
      4.600     2.600     1.400 peak   194 spectrum    1 weight  0.10000E+01 volume  0.72015E-03 ppm1      7.525 ppm2      8.129 CV     1
 OR {  194}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
 ASSI {  200}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
      4.300     2.300     1.700 peak   200 spectrum    1 weight  0.10000E+01 volume  0.47282E-03 ppm1      8.036 ppm2      2.203 CV     1
 OR {  200}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
 ASSI {  201}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HG1 ))
      4.000     2.000     2.000 peak   201 spectrum    1 weight  0.10000E+01 volume  0.10770E-02 ppm1      8.035 ppm2      2.764 CV     1
 OR {  201}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 56   and name HB2 ))
 ASSI {  203}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
      2.400     0.700     0.700 peak   203 spectrum    1 weight  0.10000E+01 volume  0.90314E-02 ppm1      8.034 ppm2      4.106 CV     1
 OR {  203}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
 OR {  203}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
 ASSI {  214}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      3.400     1.400     1.400 peak   214 spectrum    1 weight  0.10000E+01 volume  0.17654E-02 ppm1      7.713 ppm2      4.370 CV     1
 OR {  214}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
 ASSI {  217}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      3.100     1.200     1.200 peak   217 spectrum    1 weight  0.10000E+01 volume  0.14284E-02 ppm1      7.713 ppm2      3.093 CV     1
 OR {  217}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
 ASSI {  218}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      3.800     1.800     1.800 peak   218 spectrum    1 weight  0.10000E+01 volume  0.12325E-02 ppm1      7.713 ppm2      2.994 CV     1
 OR {  218}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
 ASSI {  229}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      2.700     0.900     0.900 peak   229 spectrum    1 weight  0.10000E+01 volume  0.33885E-02 ppm1      8.917 ppm2      4.271 CV     1
 OR {  229}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
 ASSI {  232}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      3.200     1.300     1.300 peak   232 spectrum    1 weight  0.10000E+01 volume  0.32324E-02 ppm1      8.917 ppm2      2.866 CV     1
 OR {  232}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 46   and name HG1 ))
 ASSI {  233}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
      5.100     3.200     0.900 peak   233 spectrum    1 weight  0.10000E+01 volume  0.25931E-03 ppm1      8.922 ppm2      1.516 CV     1
 OR {  233}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 44   and name HB% )
 ASSI {  242}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      3.100     1.200     1.200 peak   242 spectrum    1 weight  0.10000E+01 volume  0.41470E-02 ppm1      8.247 ppm2      8.485 CV     1
 OR {  242}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
 ASSI {  248}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      3.200     1.300     1.300 peak   248 spectrum    1 weight  0.10000E+01 volume  0.29675E-02 ppm1      8.127 ppm2      4.092 CV     1
 OR {  248}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
 OR {  248}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 57   and name HA1 ))
 OR {  248}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 57   and name HA2 ))
 ASSI {  253}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 82   and name HD2%)
      4.000     2.000     2.000 peak   253 spectrum    1 weight  0.10000E+01 volume  0.12254E-02 ppm1      8.125 ppm2      0.988 CV     1
 OR {  253}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HG2 ))
 OR {  253}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
 OR {  253}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 82   and name HD1%)
 ASSI {  256}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 18   and name HB% )
      4.700     2.800     1.300 peak   256 spectrum    1 weight  0.10000E+01 volume  0.61489E-03 ppm1      7.820 ppm2      1.532 CV     1
 OR {  256}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 44   and name HB% )
 ASSI {  263}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      3.400     1.400     1.400 peak   263 spectrum    1 weight  0.10000E+01 volume  0.15517E-02 ppm1      7.816 ppm2      4.388 CV     1
 OR {  263}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
 OR {  263}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
 ASSI {  275}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HB1 ))
      2.900     1.000     1.000 peak   275 spectrum    1 weight  0.10000E+01 volume  0.23957E-02 ppm1      9.029 ppm2      1.573 CV     1
 OR {  275}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
 OR {  275}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HG  ))
 ASSI {  305}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 64   and name HG1%)
      4.600     2.600     1.400 peak   305 spectrum    1 weight  0.10000E+01 volume  0.44375E-03 ppm1      7.259 ppm2      0.964 CV     1
 OR {  305}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
 OR {  305}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 74   and name HG  ))
 ASSI {  323}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
      4.700     2.800     1.300 peak   323 spectrum    1 weight  0.10000E+01 volume  0.54449E-03 ppm1      8.836 ppm2      2.708 CV     1
 OR {  323}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 8    and name HB1 ))
 OR {  323}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
 ASSI {  324}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 75   and name HD2%)
      3.800     1.800     1.800 peak   324 spectrum    1 weight  0.10000E+01 volume  0.62951E-03 ppm1      8.836 ppm2      0.876 CV     1
 OR {  324}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 52   and name HD1%)
 ASSI {  325}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
      3.800     1.800     1.800 peak   325 spectrum    1 weight  0.10000E+01 volume  0.83541E-03 ppm1      8.836 ppm2      0.788 CV     1
 OR {  325}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 31   and name HD2%)
 ASSI {  326}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
      3.300     1.400     1.400 peak   326 spectrum    1 weight  0.10000E+01 volume  0.42536E-02 ppm1      8.836 ppm2      1.395 CV     1
 OR {  326}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 6    and name HG2%)
 ASSI {  327}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      4.700     2.700     1.300 peak   327 spectrum    1 weight  0.10000E+01 volume  0.32545E-03 ppm1      8.838 ppm2      1.572 CV     1
 OR {  327}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 5    and name HB1 ))
 OR {  327}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
 ASSI {  329}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 70   and name HG2%)
      3.700     1.700     1.700 peak   329 spectrum    1 weight  0.10000E+01 volume  0.15067E-02 ppm1      8.457 ppm2      1.059 CV     1
 OR {  329}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
 ASSI {  352}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HG2 ))
      3.100     1.200     1.200 peak   352 spectrum    1 weight  0.10000E+01 volume  0.13436E-02 ppm1      7.968 ppm2      1.679 CV     1
 OR {  352}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 13   and name HB% )
 ASSI {  354}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 15   and name HG2%)
      4.000     2.000     2.000 peak   354 spectrum    1 weight  0.10000E+01 volume  0.65621E-03 ppm1      7.967 ppm2      1.129 CV     1
 OR {  354}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 10   and name HD2%)
 ASSI {  355}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
      4.800     2.800     1.200 peak   355 spectrum    1 weight  0.10000E+01 volume  0.41903E-03 ppm1      7.968 ppm2      1.031 CV     1
 OR {  355}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 15   and name HG1%)
 OR {  355}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 52   and name HD2%)
 ASSI {  356}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      2.000     0.500     0.500 peak   356 spectrum    1 weight  0.10000E+01 volume  0.11907E-01 ppm1      7.968 ppm2      2.028 CV     1
 OR {  356}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
 OR {  356}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB1 ))
 OR {  356}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI {  361}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 8    and name HB1 ))
      3.300     3.300     2.700 peak   361 spectrum    1 weight  0.10000E+01 volume  0.52238E-03 ppm1      7.969 ppm2      2.706 CV     1
 OR {  361}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
 OR {  361}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
 ASSI {  367}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      3.600     3.600     2.400 peak   367 spectrum    1 weight  0.10000E+01 volume  0.81822E-03 ppm1      7.969 ppm2      8.242 CV     1
 OR {  367}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
 ASSI {  368}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      4.400     2.400     1.600 peak   368 spectrum    1 weight  0.10000E+01 volume  0.36182E-03 ppm1      7.971 ppm2      4.209 CV     1
 OR {  368}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
 ASSI {  373}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HB1 ))
      3.100     1.200     1.200 peak   373 spectrum    1 weight  0.10000E+01 volume  0.22137E-02 ppm1      8.631 ppm2      2.831 CV     1
 OR {  373}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HB1 ))
 ASSI {  374}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
      2.700     0.900     0.900 peak   374 spectrum    1 weight  0.10000E+01 volume  0.34484E-02 ppm1      8.634 ppm2      2.744 CV     1
 OR {  374}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
 ASSI {  375}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      2.900     1.100     1.100 peak   375 spectrum    1 weight  0.10000E+01 volume  0.29368E-02 ppm1      8.632 ppm2      4.516 CV     1
 OR {  375}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
 ASSI {  402}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      3.400     1.500     1.500 peak   402 spectrum    1 weight  0.10000E+01 volume  0.13013E-02 ppm1      7.746 ppm2      4.459 CV     1
 OR {  402}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
 ASSI {  429}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      2.700     0.900     0.900 peak   429 spectrum    1 weight  0.10000E+01 volume  0.37196E-02 ppm1      9.547 ppm2      4.364 CV     1
 OR {  429}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
 ASSI {  431}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
      2.900     1.000     1.000 peak   431 spectrum    1 weight  0.10000E+01 volume  0.16774E-02 ppm1      9.548 ppm2      3.085 CV     1
 OR {  431}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
 ASSI {  432}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 69   and name HB1 ))
      4.500     2.500     1.500 peak   432 spectrum    1 weight  0.10000E+01 volume  0.36082E-03 ppm1      9.547 ppm2      3.003 CV     1
 OR {  432}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
 OR {  432}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
 ASSI {  437}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 70   and name HG2%)
      5.400     3.600     0.600 peak   437 spectrum    1 weight  0.10000E+01 volume  0.26600E-03 ppm1      9.550 ppm2      1.069 CV     1
 OR {  437}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
 ASSI {  440}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      3.500     1.500     1.500 peak   440 spectrum    1 weight  0.10000E+01 volume  0.85658E-03 ppm1      8.993 ppm2      4.237 CV     1
 OR {  440}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI {  448}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HG1 ))
      4.400     2.400     1.600 peak   448 spectrum    1 weight  0.10000E+01 volume  0.58620E-03 ppm1      8.993 ppm2      2.180 CV     1
 OR {  448}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 75   and name HB1 ))
 ASSI {  451}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
      2.600     0.900     0.900 peak   451 spectrum    1 weight  0.10000E+01 volume  0.26608E-02 ppm1      8.993 ppm2      1.616 CV     1
 OR {  451}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
 ASSI {  453}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      4.300     2.400     1.700 peak   453 spectrum    1 weight  0.10000E+01 volume  0.10943E-02 ppm1      8.993 ppm2      1.025 CV     1
 OR {  453}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
 ASSI {  454}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 70   and name HG2%)
      4.900     3.000     1.100 peak   454 spectrum    1 weight  0.10000E+01 volume  0.40326E-03 ppm1      8.993 ppm2      1.076 CV     1
 OR {  454}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 74   and name HD1%)
 ASSI {  456}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 31   and name HD2%)
      4.500     2.600     1.500 peak   456 spectrum    1 weight  0.10000E+01 volume  0.46189E-03 ppm1      8.988 ppm2      0.778 CV     1
 OR {  456}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
 ASSI {  457}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 82   and name HD1%)
      4.000     2.000     2.000 peak   457 spectrum    1 weight  0.10000E+01 volume  0.10680E-02 ppm1      8.878 ppm2      0.966 CV     1
 OR {  457}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 4    and name HD2%)
 OR {  457}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 82   and name HD2%)
 ASSI {  458}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
      3.100     1.200     1.200 peak   458 spectrum    1 weight  0.10000E+01 volume  0.26801E-02 ppm1      8.879 ppm2      0.870 CV     1
 OR {  458}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 4    and name HD1%)
 OR {  458}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 75   and name HD2%)
 ASSI {  462}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 77   and name HB1 ))
      4.200     2.200     1.800 peak   462 spectrum    1 weight  0.10000E+01 volume  0.61034E-03 ppm1      8.876 ppm2      2.026 CV     1
 OR {  462}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 82   and name HB1 ))
 ASSI {  465}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HG11))
      4.000     2.000     2.000 peak   465 spectrum    1 weight  0.10000E+01 volume  0.85825E-03 ppm1      8.878 ppm2      1.714 CV     1
 OR {  465}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 75   and name HG  ))
 ASSI {  466}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
      4.600     2.700     1.400 peak   466 spectrum    1 weight  0.10000E+01 volume  0.52518E-03 ppm1      8.879 ppm2      1.612 CV     1
 OR {  466}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 81   and name HB% )
 ASSI {  472}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      4.000     2.000     2.000 peak   472 spectrum    1 weight  0.10000E+01 volume  0.44552E-03 ppm1      8.878 ppm2      4.283 CV     1
 OR {  472}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
 ASSI {  491}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HG  ))
      3.500     1.500     1.500 peak   491 spectrum    1 weight  0.10000E+01 volume  0.10776E-02 ppm1      8.684 ppm2      1.677 CV     1
 OR {  491}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 72   and name HG1 ))
 ASSI {  494}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 68   and name HG1%)
      4.300     2.400     1.700 peak   494 spectrum    1 weight  0.10000E+01 volume  0.51391E-03 ppm1      8.691 ppm2      1.127 CV     1
 OR {  494}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 10   and name HD2%)
 ASSI {  496}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 82   and name HD1%)
      4.500     2.500     1.500 peak   496 spectrum    1 weight  0.10000E+01 volume  0.22950E-03 ppm1      8.664 ppm2      0.981 CV     1
 OR {  496}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 4    and name HD2%)
 ASSI {  498}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 75   and name HD2%)
      4.200     2.200     1.800 peak   498 spectrum    1 weight  0.10000E+01 volume  0.10724E-02 ppm1      8.693 ppm2      0.869 CV     1
 OR {  498}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
 ASSI {  499}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
      4.400     2.400     1.600 peak   499 spectrum    1 weight  0.10000E+01 volume  0.62706E-03 ppm1      8.691 ppm2      0.787 CV     1
 OR {  499}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 78   and name HD1%)
 ASSI {  500}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      2.900     1.000     1.000 peak   500 spectrum    1 weight  0.10000E+01 volume  0.23505E-02 ppm1      8.316 ppm2      3.958 CV     1
 OR {  500}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
 ASSI {  504}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      3.300     1.400     1.400 peak   504 spectrum    1 weight  0.10000E+01 volume  0.14121E-02 ppm1      8.316 ppm2      4.232 CV     1
 OR {  504}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
 ASSI {  507}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 49   and name HB% )
      4.000     2.000     2.000 peak   507 spectrum    1 weight  0.10000E+01 volume  0.10985E-02 ppm1      8.315 ppm2      1.525 CV     1
 OR {  507}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 44   and name HB% )
 ASSI {  510}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HB1 ))
      2.900     1.000     1.000 peak   510 spectrum    1 weight  0.10000E+01 volume  0.17974E-02 ppm1      8.316 ppm2      2.343 CV     1
 OR {  510}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 46   and name HB1 ))
 ASSI {  515}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      3.800     1.800     1.800 peak   515 spectrum    1 weight  0.10000E+01 volume  0.80924E-03 ppm1      7.559 ppm2      8.464 CV     1
 OR {  515}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
 ASSI {  516}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      2.300     0.700     0.700 peak   516 spectrum    1 weight  0.10000E+01 volume  0.53384E-02 ppm1      7.562 ppm2      7.714 CV     1
 OR {  516}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI {  517}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      3.200     1.200     1.200 peak   517 spectrum    1 weight  0.10000E+01 volume  0.18056E-02 ppm1      7.562 ppm2      4.364 CV     1
 OR {  517}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
 ASSI {  523}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
      3.300     1.400     1.400 peak   523 spectrum    1 weight  0.10000E+01 volume  0.19876E-02 ppm1      7.563 ppm2      2.154 CV     1
 OR {  523}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
 ASSI {  528}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 34   and name HG2 ))
      3.500     3.500     2.500 peak   528 spectrum    1 weight  0.10000E+01 volume  0.38226E-03 ppm1      7.564 ppm2      1.624 CV     1
 OR {  528}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 45   and name HB1 ))
 ASSI {  535}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
      3.300     1.300     1.300 peak   535 spectrum    1 weight  0.10000E+01 volume  0.39322E-02 ppm1      7.506 ppm2      1.628 CV     1
 OR {  535}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
 ASSI {  537}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      2.800     1.000     1.000 peak   537 spectrum    1 weight  0.10000E+01 volume  0.20644E-02 ppm1      7.508 ppm2      3.304 CV     1
 OR {  537}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
 ASSI {  538}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      4.300     2.400     1.700 peak   538 spectrum    1 weight  0.10000E+01 volume  0.47406E-03 ppm1      7.508 ppm2      3.013 CV     1
 OR {  538}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
 ASSI {  542}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      4.100     2.100     1.900 peak   542 spectrum    1 weight  0.10000E+01 volume  0.64922E-03 ppm1      7.507 ppm2      7.205 CV     1
 OR {  542}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 30   and name HE% )
 ASSI {  543}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      2.100     0.600     0.600 peak   543 spectrum    1 weight  0.10000E+01 volume  0.60654E-02 ppm1      7.508 ppm2      8.038 CV     1
 OR {  543}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
 ASSI {  549}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      3.200     1.300     1.300 peak   549 spectrum    1 weight  0.10000E+01 volume  0.19279E-02 ppm1      7.396 ppm2      4.511 CV     1
 OR {  549}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
 ASSI {  555}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
      3.700     1.700     1.700 peak   555 spectrum    1 weight  0.10000E+01 volume  0.88281E-03 ppm1      7.397 ppm2      2.744 CV     1
 OR {  555}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
 ASSI {  561}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 52   and name HD1%)
      4.600     2.700     1.400 peak   561 spectrum    1 weight  0.10000E+01 volume  0.64671E-03 ppm1      8.986 ppm2      0.860 CV     1
 OR {  561}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
 OR {  561}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 60   and name HD1%)
 ASSI {  562}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 78   and name HG11))
      5.500     3.800     0.500 peak   562 spectrum    1 weight  0.10000E+01 volume  0.13901E-03 ppm1      8.987 ppm2      1.742 CV     1
 OR {  562}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 51   and name HG2 ))
 ASSI {  563}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 50   and name HB% )
      3.800     1.800     1.800 peak   563 spectrum    1 weight  0.10000E+01 volume  0.38298E-03 ppm1      8.988 ppm2      1.647 CV     1
 OR {  563}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 81   and name HB% )
 ASSI {  567}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
      3.400     1.500     1.500 peak   567 spectrum    1 weight  0.10000E+01 volume  0.20007E-02 ppm1      8.983 ppm2      2.214 CV     1
 OR {  567}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
 ASSI {  571}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      3.200     1.300     1.300 peak   571 spectrum    1 weight  0.10000E+01 volume  0.17931E-02 ppm1      8.986 ppm2      4.254 CV     1
 OR {  571}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
 ASSI {  572}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      2.700     0.900     0.900 peak   572 spectrum    1 weight  0.10000E+01 volume  0.32267E-02 ppm1      8.985 ppm2      4.086 CV     1
 OR {  572}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
 OR {  572}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
 ASSI {  574}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
      3.900     1.900     1.900 peak   574 spectrum    1 weight  0.10000E+01 volume  0.57716E-03 ppm1      8.983 ppm2      8.122 CV     1
 OR {  574}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
 ASSI {  575}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 54   and name HN  ))
      2.700     0.900     0.900 peak   575 spectrum    1 weight  0.10000E+01 volume  0.27013E-02 ppm1      8.985 ppm2      8.037 CV     1
 OR {  575}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 55   and name HN  ))
 ASSI {  581}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 30   and name HZ  ))
      3.200     1.300     1.300 peak   581 spectrum    1 weight  0.10000E+01 volume  0.20615E-02 ppm1      8.835 ppm2      7.331 CV     1
 OR {  581}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HE  ))
 ASSI {  588}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
      3.900     1.900     1.900 peak   588 spectrum    1 weight  0.10000E+01 volume  0.29314E-03 ppm1      8.834 ppm2      3.032 CV     1
 OR {  588}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
 ASSI {  590}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HG  ))
      3.800     1.800     1.800 peak   590 spectrum    1 weight  0.10000E+01 volume  0.10771E-02 ppm1      8.834 ppm2      1.905 CV     1
 OR {  590}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 12   and name HG1 ))
 ASSI {  592}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 8    and name HB1 ))
      3.600     1.600     1.600 peak   592 spectrum    1 weight  0.10000E+01 volume  0.55623E-03 ppm1      8.834 ppm2      2.707 CV     1
 OR {  592}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
 OR {  592}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
 ASSI {  593}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 13   and name HB% )
      4.500     2.600     1.500 peak   593 spectrum    1 weight  0.10000E+01 volume  0.42102E-03 ppm1      8.835 ppm2      1.678 CV     1
 OR {  593}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 12   and name HG2 ))
 ASSI {  595}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HG1 ))
      3.900     1.900     1.900 peak   595 spectrum    1 weight  0.10000E+01 volume  0.13656E-02 ppm1      8.834 ppm2      1.391 CV     1
 OR {  595}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
 ASSI {  597}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
      4.000     2.000     2.000 peak   597 spectrum    1 weight  0.10000E+01 volume  0.83836E-03 ppm1      8.836 ppm2      1.045 CV     1
 OR {  597}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 52   and name HD2%)
 ASSI {  598}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 14   and name HD2%)
      4.300     2.300     1.700 peak   598 spectrum    1 weight  0.10000E+01 volume  0.59451E-03 ppm1      8.835 ppm2      0.885 CV     1
 OR {  598}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 52   and name HD1%)
 OR {  598}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 75   and name HD2%)
 ASSI {  599}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 26   and name HD2%)
      4.400     2.500     1.600 peak   599 spectrum    1 weight  0.10000E+01 volume  0.57225E-03 ppm1      8.835 ppm2      0.789 CV     1
 OR {  599}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
 OR {  599}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 31   and name HD2%)
 ASSI {  601}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 15   and name HG2%)
      3.700     1.700     1.700 peak   601 spectrum    1 weight  0.10000E+01 volume  0.15503E-02 ppm1      8.398 ppm2      1.121 CV     1
 OR {  601}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
 ASSI {  602}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
      4.100     2.100     1.900 peak   602 spectrum    1 weight  0.10000E+01 volume  0.82900E-03 ppm1      8.396 ppm2      1.036 CV     1
 OR {  602}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 52   and name HD2%)
 OR {  602}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 15   and name HG1%)
 ASSI {  603}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 14   and name HD2%)
      4.000     2.000     2.000 peak   603 spectrum    1 weight  0.10000E+01 volume  0.15822E-02 ppm1      8.395 ppm2      0.888 CV     1
 OR {  603}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 52   and name HD1%)
 ASSI {  607}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HG  ))
      3.200     1.300     1.300 peak   607 spectrum    1 weight  0.10000E+01 volume  0.41527E-02 ppm1      8.396 ppm2      1.884 CV     1
 OR {  607}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 10   and name HG  ))
 ASSI {  610}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      2.700     0.900     0.900 peak   610 spectrum    1 weight  0.10000E+01 volume  0.30331E-02 ppm1      8.395 ppm2      4.398 CV     1
 OR {  610}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
 ASSI {  614}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      2.900     1.100     1.100 peak   614 spectrum    1 weight  0.10000E+01 volume  0.25996E-02 ppm1      8.107 ppm2      4.234 CV     1
 OR {  614}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
 ASSI {  615}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      3.400     1.400     1.400 peak   615 spectrum    1 weight  0.10000E+01 volume  0.10079E-02 ppm1      8.106 ppm2      3.950 CV     1
 OR {  615}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
 ASSI {  617}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
      2.800     0.900     0.900 peak   617 spectrum    1 weight  0.10000E+01 volume  0.28162E-02 ppm1      8.108 ppm2      2.019 CV     1
 OR {  617}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 52   and name HG  ))
 ASSI {  627}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HG1 ))
      4.100     2.100     1.900 peak   627 spectrum    1 weight  0.10000E+01 volume  0.95901E-03 ppm1      7.699 ppm2      1.909 CV     1
 OR {  627}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 10   and name HG  ))
 ASSI {  628}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 52   and name HD2%)
      4.300     2.300     1.700 peak   628 spectrum    1 weight  0.10000E+01 volume  0.10201E-02 ppm1      7.699 ppm2      1.037 CV     1
 OR {  628}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
 ASSI {  631}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 49   and name HB% )
      2.800     1.000     1.000 peak   631 spectrum    1 weight  0.10000E+01 volume  0.40038E-02 ppm1      8.233 ppm2      1.518 CV     1
 OR {  631}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
 ASSI {  635}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      2.400     0.700     0.700 peak   635 spectrum    1 weight  0.10000E+01 volume  0.51268E-02 ppm1      8.239 ppm2      8.479 CV     1
 OR {  635}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
 ASSI {  640}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      2.700     0.900     0.900 peak   640 spectrum    1 weight  0.10000E+01 volume  0.31224E-02 ppm1      8.213 ppm2      7.819 CV     1
 OR {  640}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI {  642}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      3.300     1.400     1.400 peak   642 spectrum    1 weight  0.10000E+01 volume  0.14578E-02 ppm1      8.276 ppm2      4.905 CV     1
 OR {  642}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
 ASSI {  644}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      3.300     1.300     1.300 peak   644 spectrum    1 weight  0.10000E+01 volume  0.17234E-02 ppm1      8.274 ppm2      4.463 CV     1
 OR {  644}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
 ASSI {  645}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      3.300     1.300     1.300 peak   645 spectrum    1 weight  0.10000E+01 volume  0.14461E-02 ppm1      8.214 ppm2      4.396 CV     1
 OR {  645}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
 OR {  645}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
 ASSI {  647}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      3.100     1.200     1.200 peak   647 spectrum    1 weight  0.10000E+01 volume  0.20819E-02 ppm1      8.266 ppm2      4.285 CV     1
 OR {  647}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
 OR {  647}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
 ASSI {  650}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      3.800     1.800     1.800 peak   650 spectrum    1 weight  0.10000E+01 volume  0.79635E-03 ppm1      8.212 ppm2      4.036 CV     1
 OR {  650}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
 ASSI {  654}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HB1 ))
      3.000     1.100     1.100 peak   654 spectrum    1 weight  0.10000E+01 volume  0.55804E-02 ppm1      8.273 ppm2      2.020 CV     1
 OR {  654}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HB1 ))
 ASSI {  655}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
      2.000     0.500     0.500 peak   655 spectrum    1 weight  0.10000E+01 volume  0.91527E-02 ppm1      8.271 ppm2      1.927 CV     1
 OR {  655}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HB  ))
 ASSI {  658}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 81   and name HB% )
      2.600     0.900     0.900 peak   658 spectrum    1 weight  0.10000E+01 volume  0.51286E-02 ppm1      8.275 ppm2      1.621 CV     1
 OR {  658}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 83   and name HB% )
 ASSI {  659}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HB2 ))
      2.400     0.800     0.800 peak   659 spectrum    1 weight  0.10000E+01 volume  0.33343E-02 ppm1      8.274 ppm2      1.551 CV     1
 OR {  659}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 85   and name HB% )
 ASSI {  660}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
      3.700     1.700     1.700 peak   660 spectrum    1 weight  0.10000E+01 volume  0.17097E-02 ppm1      8.247 ppm2      1.394 CV     1
 OR {  660}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 6    and name HG2%)
 ASSI {  665}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 82   and name HD2%)
      3.000     1.200     1.200 peak   665 spectrum    1 weight  0.10000E+01 volume  0.43833E-02 ppm1      8.273 ppm2      0.969 CV     1
 OR {  665}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
 OR {  665}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 82   and name HD1%)
 OR {  665}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 4    and name HD2%)
 OR {  665}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 82   and name HD1%)
 OR {  665}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI {  666}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
      3.200     1.300     1.300 peak   666 spectrum    1 weight  0.10000E+01 volume  0.36438E-02 ppm1      8.271 ppm2      0.872 CV     1
 OR {  666}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
 ASSI {  667}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 78   and name HD1%)
      3.800     1.800     1.800 peak   667 spectrum    1 weight  0.10000E+01 volume  0.20848E-02 ppm1      8.271 ppm2      0.795 CV     1
 OR {  667}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
 ASSI {  668}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 5    and name HD1%)
      4.800     2.800     1.200 peak   668 spectrum    1 weight  0.10000E+01 volume  0.54503E-03 ppm1      8.271 ppm2      0.614 CV     1
 OR {  668}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 5    and name HD1%)
 ASSI {  685}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HG  ))
      2.300     0.700     0.700 peak   685 spectrum    1 weight  0.10000E+01 volume  0.56428E-02 ppm1      8.401 ppm2      2.035 CV     1
 OR {  685}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
 ASSI {  686}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
      2.500     0.800     0.800 peak   686 spectrum    1 weight  0.10000E+01 volume  0.47526E-02 ppm1      8.401 ppm2      2.206 CV     1
 OR {  686}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
 ASSI {  695}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 50   and name HB% )
      3.800     1.800     1.800 peak   695 spectrum    1 weight  0.10000E+01 volume  0.98627E-03 ppm1      8.399 ppm2      1.658 CV     1
 OR {  695}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 13   and name HB% )
 ASSI {  702}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      2.800     1.000     1.000 peak   702 spectrum    1 weight  0.10000E+01 volume  0.21733E-02 ppm1      8.487 ppm2      2.219 CV     1
 OR {  702}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HB1 ))
 ASSI {  703}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HB1 ))
      2.700     0.900     0.900 peak   703 spectrum    1 weight  0.10000E+01 volume  0.55314E-02 ppm1      8.495 ppm2      2.341 CV     1
 OR {  703}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HB1 ))
 ASSI {  706}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      3.200     1.300     1.300 peak   706 spectrum    1 weight  0.10000E+01 volume  0.12808E-02 ppm1      8.401 ppm2      3.954 CV     1
 OR {  706}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
 ASSI {  710}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      3.500     1.500     1.500 peak   710 spectrum    1 weight  0.10000E+01 volume  0.10535E-02 ppm1      8.401 ppm2      4.235 CV     1
 OR {  710}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
 ASSI {  712}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      3.400     1.400     1.400 peak   712 spectrum    1 weight  0.10000E+01 volume  0.12242E-02 ppm1      8.452 ppm2      4.394 CV     1
 OR {  712}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
 OR {  712}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
 ASSI {  713}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      4.000     2.000     2.000 peak   713 spectrum    1 weight  0.10000E+01 volume  0.40818E-03 ppm1      8.448 ppm2      7.827 CV     1
 OR {  713}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI {  720}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      3.900     1.900     1.900 peak   720 spectrum    1 weight  0.10000E+01 volume  0.88384E-03 ppm1      7.885 ppm2      8.838 CV     1
 OR {  720}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 7    and name HN  ))
 ASSI {  731}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      4.500     2.500     1.500 peak   731 spectrum    1 weight  0.10000E+01 volume  0.65698E-03 ppm1      7.886 ppm2      1.574 CV     1
 OR {  731}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 5    and name HB1 ))
 ASSI {  734}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HB1 ))
      2.700     0.900     0.900 peak   734 spectrum    1 weight  0.10000E+01 volume  0.43222E-02 ppm1      7.709 ppm2      2.421 CV     1
 OR {  734}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 68   and name HB  ))
 ASSI {  740}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HG  ))
      4.100     2.100     1.900 peak   740 spectrum    1 weight  0.10000E+01 volume  0.13166E-02 ppm1      7.708 ppm2      0.968 CV     1
 OR {  740}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
 OR {  740}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
 ASSI {  741}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 10   and name HD2%)
      3.500     1.600     1.600 peak   741 spectrum    1 weight  0.10000E+01 volume  0.14781E-02 ppm1      8.727 ppm2      1.124 CV     1
 OR {  741}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 68   and name HG1%)
 ASSI {  742}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 74   and name HD2%)
      3.900     1.900     1.900 peak   742 spectrum    1 weight  0.10000E+01 volume  0.96401E-03 ppm1      8.728 ppm2      1.051 CV     1
 OR {  742}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 74   and name HD1%)
 OR {  742}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
 ASSI {  743}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HG  ))
      4.600     2.700     1.400 peak   743 spectrum    1 weight  0.10000E+01 volume  0.63360E-03 ppm1      8.727 ppm2      0.966 CV     1
 OR {  743}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
 OR {  743}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
 ASSI {  746}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HB2 ))
      3.400     1.500     1.500 peak   746 spectrum    1 weight  0.10000E+01 volume  0.27827E-02 ppm1      8.728 ppm2      1.694 CV     1
 OR {  746}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HG  ))
 ASSI {  752}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      3.800     1.800     1.800 peak   752 spectrum    1 weight  0.10000E+01 volume  0.59463E-03 ppm1      8.730 ppm2      4.225 CV     1
 OR {  752}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI {  757}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      2.900     1.000     1.000 peak   757 spectrum    1 weight  0.10000E+01 volume  0.27851E-02 ppm1      8.493 ppm2      4.237 CV     1
 OR {  757}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
 ASSI {  759}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 44   and name HB% )
      4.200     2.200     1.800 peak   759 spectrum    1 weight  0.10000E+01 volume  0.58978E-03 ppm1      8.490 ppm2      1.534 CV     1
 OR {  759}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 49   and name HB% )
 ASSI {  763}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HG2 ))
      4.400     2.400     1.600 peak   763 spectrum    1 weight  0.10000E+01 volume  0.69213E-03 ppm1      8.068 ppm2      0.985 CV     1
 OR {  763}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 82   and name HD2%)
 OR {  763}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI {  768}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      2.600     0.800     0.800 peak   768 spectrum    1 weight  0.10000E+01 volume  0.56611E-02 ppm1      8.070 ppm2      4.098 CV     1
 OR {  768}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
 OR {  768}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
 OR {  768}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
 ASSI {  776}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.100     1.200     1.200 peak   776 spectrum    1 weight  0.10000E+01 volume  0.22422E-02 ppm1      8.461 ppm2      4.282 CV     1
 OR {  776}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
 ASSI {  781}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
      2.200     0.600     0.600 peak   781 spectrum    1 weight  0.10000E+01 volume  0.82137E-02 ppm1      8.462 ppm2      1.507 CV     1
 OR {  781}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 44   and name HB% )
 ASSI {  784}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      3.500     1.500     1.500 peak   784 spectrum    1 weight  0.10000E+01 volume  0.37038E-03 ppm1      8.462 ppm2      1.844 CV     1
 OR {  784}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 38   and name HG11))
 ASSI {  789}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HA2 ))
      2.700     0.900     0.900 peak   789 spectrum    1 weight  0.10000E+01 volume  0.29624E-02 ppm1      8.065 ppm2      3.870 CV     1
 OR {  789}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
 ASSI {  790}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      2.900     1.100     1.100 peak   790 spectrum    1 weight  0.10000E+01 volume  0.23646E-02 ppm1      8.064 ppm2      4.573 CV     1
 OR {  790}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
 ASSI {  791}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
      2.700     0.900     0.900 peak   791 spectrum    1 weight  0.10000E+01 volume  0.58321E-02 ppm1      8.064 ppm2      3.024 CV     1
 OR {  791}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
 ASSI {  794}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 38   and name HD1%)
      4.000     2.000     2.000 peak   794 spectrum    1 weight  0.10000E+01 volume  0.11820E-02 ppm1      8.064 ppm2      0.874 CV     1
 OR {  794}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 52   and name HD1%)
 OR {  794}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 75   and name HD2%)
 ASSI {  795}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
      3.900     1.900     1.900 peak   795 spectrum    1 weight  0.10000E+01 volume  0.10156E-02 ppm1      8.065 ppm2      0.788 CV     1
 OR {  795}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 31   and name HD2%)
 OR {  795}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 78   and name HD1%)
 ASSI {  798}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
      3.700     1.700     1.700 peak   798 spectrum    1 weight  0.10000E+01 volume  0.19023E-02 ppm1      8.065 ppm2      1.042 CV     1
 OR {  798}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 52   and name HD2%)
 ASSI {  800}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      2.500     0.800     0.800 peak   800 spectrum    1 weight  0.10000E+01 volume  0.52704E-02 ppm1      8.065 ppm2      1.566 CV     1
 OR {  800}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 38   and name HG12))
 ASSI {  801}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      4.400     2.500     1.600 peak   801 spectrum    1 weight  0.10000E+01 volume  0.70271E-03 ppm1      8.064 ppm2      2.043 CV     1
 OR {  801}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
 OR {  801}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
 ASSI {  805}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      3.000     1.200     1.200 peak   805 spectrum    1 weight  0.10000E+01 volume  0.19835E-02 ppm1      8.064 ppm2      4.362 CV     1
 OR {  805}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
 ASSI {  808}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      2.700     0.900     0.900 peak   808 spectrum    1 weight  0.10000E+01 volume  0.51533E-02 ppm1      8.063 ppm2      7.713 CV     1
 OR {  808}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
 ASSI {  812}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      4.000     2.000     2.000 peak   812 spectrum    1 weight  0.10000E+01 volume  0.53003E-03 ppm1      7.959 ppm2      4.458 CV     1
 OR {  812}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
 ASSI {  820}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 82   and name HD2%)
      3.500     1.500     1.500 peak   820 spectrum    1 weight  0.10000E+01 volume  0.14279E-02 ppm1      7.958 ppm2      0.978 CV     1
 OR {  820}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 4    and name HD2%)
 ASSI {  821}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 4    and name HD1%)
      2.900     1.100     1.100 peak   821 spectrum    1 weight  0.10000E+01 volume  0.10058E-02 ppm1      7.958 ppm2      0.880 CV     1
 OR {  821}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
 ASSI {  836}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 64   and name HG1%)
      3.100     1.200     1.200 peak   836 spectrum    1 weight  0.10000E+01 volume  0.37225E-02 ppm1      8.211 ppm2      0.982 CV     1
 OR {  836}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI {  841}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      3.000     1.100     1.100 peak   841 spectrum    1 weight  0.10000E+01 volume  0.19691E-02 ppm1      8.035 ppm2      3.296 CV     1
 OR {  841}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
 ASSI {  848}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 30   and name HE% )
      3.900     1.900     1.900 peak   848 spectrum    1 weight  0.10000E+01 volume  0.80398E-03 ppm1      8.035 ppm2      7.206 CV     1
 OR {  848}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
 ASSI {  858}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      4.000     2.000     2.000 peak   858 spectrum    1 weight  0.10000E+01 volume  0.59170E-03 ppm1      7.208 ppm2      3.299 CV     1
 OR {  858}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
 ASSI {  859}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
      4.000     2.000     2.000 peak   859 spectrum    1 weight  0.10000E+01 volume  0.56428E-03 ppm1      7.204 ppm2      3.023 CV     1
 OR {  859}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
 ASSI {  862}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 71   and name HG1 ))
      5.000     3.100     1.000 peak   862 spectrum    1 weight  0.10000E+01 volume  0.34372E-03 ppm1      7.205 ppm2      2.178 CV     1
 OR {  862}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
 ASSI {  870}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 64   and name HG2%)
      5.000     3.100     1.000 peak   870 spectrum    1 weight  0.10000E+01 volume  0.48746E-03 ppm1      8.831 ppm2      1.026 CV     1
 OR {  870}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 60   and name HG2%)
 ASSI {  885}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 70   and name HG2%)
      3.900     1.900     1.900 peak   885 spectrum    1 weight  0.10000E+01 volume  0.11285E-02 ppm1      8.483 ppm2      1.080 CV     1
 OR {  885}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
 ASSI {  893}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 71   and name HD2 ))
      5.000     3.100     1.000 peak   893 spectrum    1 weight  0.10000E+01 volume  0.50354E-03 ppm1      8.487 ppm2      2.788 CV     1
 OR {  893}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
 ASSI {  895}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      3.200     1.300     1.300 peak   895 spectrum    1 weight  0.10000E+01 volume  0.89564E-03 ppm1      8.489 ppm2      4.369 CV     1
 OR {  895}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
 ASSI {  912}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
      3.600     1.600     1.600 peak   912 spectrum    1 weight  0.10000E+01 volume  0.19214E-02 ppm1      8.009 ppm2      0.960 CV     1
 OR {  912}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
 OR {  912}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 64   and name HG1%)
 ASSI {  915}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 44   and name HB% )
      2.800     1.000     1.000 peak   915 spectrum    1 weight  0.10000E+01 volume  0.34314E-02 ppm1      7.968 ppm2      1.523 CV     1
 OR {  915}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
 ASSI {  925}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 15   and name HG2%)
      5.300     3.600     0.700 peak   925 spectrum    1 weight  0.10000E+01 volume  0.21623E-03 ppm1      7.841 ppm2      1.123 CV     1
 OR {  925}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
 ASSI {  928}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 15   and name HB  ))
      4.400     2.500     1.600 peak   928 spectrum    1 weight  0.10000E+01 volume  0.31013E-03 ppm1      7.840 ppm2      2.261 CV     1
 OR {  928}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
 ASSI {  932}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      3.400     1.500     1.500 peak   932 spectrum    1 weight  0.10000E+01 volume  0.15531E-02 ppm1      7.840 ppm2      4.052 CV     1
 OR {  932}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 23   and name HA1 ))
 OR {  932}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 23   and name HA2 ))
 ASSI {  933}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      3.400     1.400     1.400 peak   933 spectrum    1 weight  0.10000E+01 volume  0.10616E-02 ppm1      7.840 ppm2      3.942 CV     1
 OR {  933}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
 ASSI {  948}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      3.200     1.300     1.300 peak   948 spectrum    1 weight  0.10000E+01 volume  0.18681E-02 ppm1      8.606 ppm2      8.466 CV     1
 OR {  948}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
 ASSI {  951}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      2.600     0.900     0.900 peak   951 spectrum    1 weight  0.10000E+01 volume  0.39896E-02 ppm1      8.764 ppm2      3.951 CV     1
 OR {  951}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
 ASSI {  954}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      3.200     1.300     1.300 peak   954 spectrum    1 weight  0.10000E+01 volume  0.16881E-02 ppm1      8.763 ppm2      4.252 CV     1
 OR {  954}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
 OR {  954}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
 ASSI {  966}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 60   and name HG2%)
      4.500     2.600     1.500 peak   966 spectrum    1 weight  0.10000E+01 volume  0.48012E-03 ppm1      8.763 ppm2      1.038 CV     1
 OR {  966}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 52   and name HD2%)
 OR {  966}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
 ASSI {  967}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 74   and name HG  ))
      4.300     2.300     1.700 peak   967 spectrum    1 weight  0.10000E+01 volume  0.56489E-03 ppm1      8.762 ppm2      0.969 CV     1
 OR {  967}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
 OR {  967}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI {  968}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 52   and name HD1%)
      4.500     2.500     1.500 peak   968 spectrum    1 weight  0.10000E+01 volume  0.44595E-03 ppm1      8.763 ppm2      0.867 CV     1
 OR {  968}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
 ASSI {  972}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
      4.500     2.500     1.500 peak   972 spectrum    1 weight  0.10000E+01 volume  0.42465E-03 ppm1      8.764 ppm2      2.197 CV     1
 OR {  972}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
 OR {  972}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
 ASSI {  978}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 83   and name HN  ))
      3.500     1.600     1.600 peak   978 spectrum    1 weight  0.10000E+01 volume  0.15453E-02 ppm1      7.826 ppm2      7.961 CV     1
 OR {  978}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 86   and name HN  ))
 ASSI {  981}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      2.800     1.000     1.000 peak   981 spectrum    1 weight  0.10000E+01 volume  0.27958E-02 ppm1      7.764 ppm2      4.277 CV     1
 OR {  981}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
 ASSI {  988}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      4.400     2.400     1.600 peak   988 spectrum    1 weight  0.10000E+01 volume  0.27954E-03 ppm1      7.767 ppm2      2.864 CV     1
 OR {  988}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 46   and name HG1 ))
 ASSI {  997}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      4.100     2.100     1.900 peak   997 spectrum    1 weight  0.10000E+01 volume  0.12226E-02 ppm1      7.582 ppm2      0.971 CV     1
 OR {  997}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 82   and name HD2%)
 OR {  997}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 82   and name HD1%)
 OR {  997}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 4    and name HD2%)
 ASSI {  998}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
      3.900     1.900     1.900 peak   998 spectrum    1 weight  0.10000E+01 volume  0.83022E-03 ppm1      7.582 ppm2      0.865 CV     1
 OR {  998}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 4    and name HD1%)
 ASSI { 1010}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HG  ))
      4.600     2.600     1.400 peak  1010 spectrum    1 weight  0.10000E+01 volume  0.81822E-03 ppm1      9.428 ppm2      1.700 CV     1
 OR { 1010}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 75   and name HG  ))
 ASSI { 1014}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 82   and name HD1%)
      3.000     1.200     1.200 peak  1014 spectrum    1 weight  0.10000E+01 volume  0.23496E-02 ppm1      9.428 ppm2      0.972 CV     1
 OR { 1014}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 4    and name HD2%)
 ASSI { 1015}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
      3.600     1.600     1.600 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.17330E-02 ppm1      9.428 ppm2      0.878 CV     1
 OR { 1015}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 4    and name HD1%)
 OR { 1015}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 75   and name HD2%)
 ASSI { 1020}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 4    and name HD2%)
      3.300     1.300     1.300 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.17262E-02 ppm1      8.145 ppm2      0.963 CV     1
 OR { 1020}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 82   and name HD1%)
 ASSI { 1027}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      1.900     0.500     0.500 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.18860E-01 ppm1      8.146 ppm2      4.383 CV     1
 OR { 1027}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
 ASSI { 1028}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      4.200     2.200     1.800 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.23630E-03 ppm1      8.146 ppm2      4.300 CV     1
 OR { 1028}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
 ASSI { 1040}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 60   and name HG2%)
      4.200     2.200     1.800 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.85344E-03 ppm1      8.114 ppm2      1.021 CV     1
 OR { 1040}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 64   and name HG2%)
 ASSI { 1050}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 64   and name HG1%)
      4.400     2.400     1.600 peak  1050 spectrum    1 weight  0.10000E+01 volume  0.54849E-03 ppm1      8.026 ppm2      0.962 CV     1
 OR { 1050}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI { 1052}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 46   and name HG1 ))
      3.300     1.400     1.400 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.48038E-03 ppm1      8.030 ppm2      2.834 CV     1
 OR { 1052}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 63   and name HB1 ))
 OR { 1052}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 62   and name HB1 ))
 ASSI { 1053}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
      3.600     1.700     1.700 peak  1053 spectrum    1 weight  0.10000E+01 volume  0.39988E-03 ppm1      8.029 ppm2      2.750 CV     1
 OR { 1053}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
 OR { 1053}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 46   and name HG2 ))
 ASSI { 1055}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      4.000     2.000     2.000 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.44568E-03 ppm1      8.027 ppm2      4.439 CV     1
 OR { 1055}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           HT1      MET   1 -21.298  -7.763   2.682
    2    H2   MET   1           HT2      MET   1 -20.203  -7.928   1.373
    3    H3   MET   1           HT3      MET   1 -21.473  -6.894   1.249
    4    HA   MET   1           HA       MET   1 -20.624  -5.412   2.848
    5    HB2  MET   1           HB2      MET   1 -18.468  -5.731   3.907
    6    HB3  MET   1           HB1      MET   1 -19.434  -7.155   4.248
    7    HG2  MET   1           HG2      MET   1 -17.299  -6.981   2.119
    8    HG3  MET   1           HG1      MET   1 -17.055  -7.637   3.730
    9    HE1  MET   1           HE1      MET   1 -19.272 -10.859   3.661
   10    HE2  MET   1           HE2      MET   1 -19.721  -9.261   4.259
   11    HE3  MET   1           HE3      MET   1 -18.110  -9.905   4.585
   12    H    ALA   2           HN       ALA   2 -18.669  -3.990   2.310
   13    HA   ALA   2           HA       ALA   2 -18.482  -3.786  -0.529
   14    HB1  ALA   2           HB1      ALA   2 -16.989  -1.900  -0.066
   15    HB2  ALA   2           HB2      ALA   2 -16.939  -2.357   1.638
   16    HB3  ALA   2           HB3      ALA   2 -18.452  -1.806   0.914
   17    H    THR   3           HN       THR   3 -16.644  -4.153  -1.821
   18    HA   THR   3           HA       THR   3 -15.099  -6.412  -0.994
   19    HB   THR   3           HB       THR   3 -14.676  -4.719  -3.380
   20    HG1  THR   3           HG1      THR   3 -16.669  -6.725  -2.908
   21   HG21  THR   3          HG21      THR   3 -14.398  -7.685  -2.878
   22   HG22  THR   3          HG22      THR   3 -13.081  -6.519  -3.002
   23   HG23  THR   3          HG23      THR   3 -14.068  -6.888  -4.416
   24    H    LEU   4           HN       LEU   4 -13.521  -5.973   0.463
   25    HA   LEU   4           HA       LEU   4 -11.910  -3.558   0.162
   26    HB2  LEU   4           HB2      LEU   4 -11.932  -5.616   2.368
   27    HB3  LEU   4           HB1      LEU   4 -10.993  -4.137   2.361
   28    HG   LEU   4           HG       LEU   4 -13.977  -4.348   2.440
   29   HD11  LEU   4          HD11      LEU   4 -13.754  -3.430   4.706
   30   HD12  LEU   4          HD12      LEU   4 -11.999  -3.514   4.552
   31   HD13  LEU   4          HD13      LEU   4 -12.960  -4.994   4.538
   32   HD21  LEU   4          HD21      LEU   4 -13.936  -1.907   2.815
   33   HD22  LEU   4          HD22      LEU   4 -13.324  -2.370   1.229
   34   HD23  LEU   4          HD23      LEU   4 -12.198  -1.923   2.509
   35    H    LEU   5           HN       LEU   5  -9.616  -3.738   0.225
   36    HA   LEU   5           HA       LEU   5  -8.677  -5.930  -1.346
   37    HB2  LEU   5           HB2      LEU   5  -7.154  -3.659  -0.049
   38    HB3  LEU   5           HB1      LEU   5  -6.478  -4.827  -1.166
   39    HG   LEU   5           HG       LEU   5  -8.571  -2.754  -1.764
   40   HD11  LEU   5          HD11      LEU   5  -5.729  -3.081  -2.694
   41   HD12  LEU   5          HD12      LEU   5  -6.326  -1.884  -1.546
   42   HD13  LEU   5          HD13      LEU   5  -6.856  -1.831  -3.227
   43   HD21  LEU   5          HD21      LEU   5  -8.430  -3.548  -4.077
   44   HD22  LEU   5          HD22      LEU   5  -9.040  -4.797  -2.994
   45   HD23  LEU   5          HD23      LEU   5  -7.368  -4.858  -3.559
   46    H    THR   6           HN       THR   6  -7.311  -7.513  -0.710
   47    HA   THR   6           HA       THR   6  -7.310  -8.004   2.147
   48    HB   THR   6           HB       THR   6  -6.558 -10.286   1.498
   49    HG1  THR   6           HG1      THR   6  -6.852  -9.256  -1.171
   50   HG21  THR   6          HG21      THR   6  -8.963  -9.827   1.718
   51   HG22  THR   6          HG22      THR   6  -8.668 -11.007   0.440
   52   HG23  THR   6          HG23      THR   6  -9.028  -9.332   0.026
   53    H    THR   7           HN       THR   7  -5.054  -9.398   2.603
   54    HA   THR   7           HA       THR   7  -3.113  -7.391   2.209
   55    HB   THR   7           HB       THR   7  -1.608  -9.080   3.412
   56    HG1  THR   7           HG1      THR   7  -2.511 -10.837   4.206
   57   HG21  THR   7          HG21      THR   7  -2.582  -7.103   4.457
   58   HG22  THR   7          HG22      THR   7  -2.605  -8.466   5.577
   59   HG23  THR   7          HG23      THR   7  -4.083  -7.981   4.749
   60    H    ASP   8           HN       ASP   8  -3.970 -10.253   0.613
   61    HA   ASP   8           HA       ASP   8  -1.510 -10.586  -0.772
   62    HB2  ASP   8           HB2      ASP   8  -4.295 -11.556  -1.418
   63    HB3  ASP   8           HB1      ASP   8  -2.931 -11.856  -2.485
   64    H    ASP   9           HN       ASP   9  -4.476  -8.859  -1.470
   65    HA   ASP   9           HA       ASP   9  -3.795  -7.901  -4.048
   66    HB2  ASP   9           HB2      ASP   9  -5.450  -6.466  -1.940
   67    HB3  ASP   9           HB1      ASP   9  -5.364  -6.011  -3.630
   68    H    LEU  10           HN       LEU  10  -3.416  -6.489  -0.857
   69    HA   LEU  10           HA       LEU  10  -2.089  -4.133  -1.588
   70    HB2  LEU  10           HB2      LEU  10  -3.109  -4.542   0.618
   71    HB3  LEU  10           HB1      LEU  10  -1.867  -5.726   0.963
   72    HG   LEU  10           HG       LEU  10  -0.165  -3.923   0.880
   73   HD11  LEU  10          HD11      LEU  10  -0.889  -1.592   0.939
   74   HD12  LEU  10          HD12      LEU  10  -2.554  -2.101   0.666
   75   HD13  LEU  10          HD13      LEU  10  -1.337  -2.368  -0.582
   76   HD21  LEU  10          HD21      LEU  10  -2.436  -3.475   2.804
   77   HD22  LEU  10          HD22      LEU  10  -0.775  -2.915   3.017
   78   HD23  LEU  10          HD23      LEU  10  -1.131  -4.644   2.995
   79    H    ARG  11           HN       ARG  11  -0.781  -7.271  -0.525
   80    HA   ARG  11           HA       ARG  11   1.911  -6.586  -0.609
   81    HB2  ARG  11           HB2      ARG  11   1.140  -8.594   0.531
   82    HB3  ARG  11           HB1      ARG  11   0.641  -9.301  -0.997
   83    HG2  ARG  11           HG2      ARG  11   2.946  -9.417  -1.735
   84    HG3  ARG  11           HG1      ARG  11   3.479  -8.612  -0.263
   85    HD2  ARG  11           HD2      ARG  11   3.836 -11.023  -0.145
   86    HD3  ARG  11           HD1      ARG  11   2.683 -10.485   1.071
   87    HE   ARG  11           HE       ARG  11   1.134 -11.248  -1.048
   88   HH11  ARG  11          HH11      ARG  11   3.749 -12.890   0.619
   89   HH12  ARG  11          HH12      ARG  11   2.978 -14.413   0.692
   90   HH21  ARG  11          HH21      ARG  11   0.012 -13.352  -0.949
   91   HH22  ARG  11          HH22      ARG  11   0.839 -14.670  -0.275
   92    H    ARG  12           HN       ARG  12  -0.176  -7.839  -3.193
   93    HA   ARG  12           HA       ARG  12   1.931  -8.318  -4.944
   94    HB2  ARG  12           HB2      ARG  12  -0.953  -8.313  -5.195
   95    HB3  ARG  12           HB1      ARG  12  -0.181  -7.684  -6.650
   96    HG2  ARG  12           HG2      ARG  12   0.548 -10.284  -5.322
   97    HG3  ARG  12           HG1      ARG  12  -0.527 -10.125  -6.718
   98    HD2  ARG  12           HD2      ARG  12   1.165  -9.446  -8.124
   99    HD3  ARG  12           HD1      ARG  12   2.203  -8.888  -6.821
  100    HE   ARG  12           HE       ARG  12   1.652 -11.740  -7.134
  101   HH11  ARG  12          HH11      ARG  12   3.905  -9.020  -7.359
  102   HH12  ARG  12          HH12      ARG  12   5.330  -9.953  -7.344
  103   HH21  ARG  12          HH21      ARG  12   3.675 -13.100  -7.070
  104   HH22  ARG  12          HH22      ARG  12   5.174 -12.314  -7.144
  105    H    ALA  13           HN       ALA  13  -0.017  -5.420  -4.602
  106    HA   ALA  13           HA       ALA  13   1.328  -3.985  -6.627
  107    HB1  ALA  13           HB1      ALA  13   0.350  -1.991  -5.582
  108    HB2  ALA  13           HB2      ALA  13  -0.109  -2.953  -4.175
  109    HB3  ALA  13           HB3      ALA  13  -0.841  -3.280  -5.745
  110    H    LEU  14           HN       LEU  14   1.817  -4.391  -3.221
  111    HA   LEU  14           HA       LEU  14   3.803  -2.544  -2.650
  112    HB2  LEU  14           HB2      LEU  14   2.463  -3.794  -1.032
  113    HB3  LEU  14           HB1      LEU  14   3.293  -5.265  -1.477
  114    HG   LEU  14           HG       LEU  14   5.397  -4.267  -0.597
  115   HD11  LEU  14          HD11      LEU  14   3.513  -2.140   0.396
  116   HD12  LEU  14          HD12      LEU  14   4.777  -1.928  -0.815
  117   HD13  LEU  14          HD13      LEU  14   5.207  -2.319   0.850
  118   HD21  LEU  14          HD21      LEU  14   3.074  -4.465   1.308
  119   HD22  LEU  14          HD22      LEU  14   4.784  -4.565   1.740
  120   HD23  LEU  14          HD23      LEU  14   4.061  -5.801   0.714
  121    H    VAL  15           HN       VAL  15   4.159  -6.004  -3.406
  122    HA   VAL  15           HA       VAL  15   6.936  -6.255  -3.251
  123    HB   VAL  15           HB       VAL  15   5.055  -7.781  -5.086
  124   HG11  VAL  15          HG11      VAL  15   6.743  -9.556  -5.044
  125   HG12  VAL  15          HG12      VAL  15   7.812  -8.511  -4.108
  126   HG13  VAL  15          HG13      VAL  15   7.378  -8.073  -5.761
  127   HG21  VAL  15          HG21      VAL  15   6.043  -8.429  -2.320
  128   HG22  VAL  15          HG22      VAL  15   5.050  -9.477  -3.338
  129   HG23  VAL  15          HG23      VAL  15   4.405  -7.943  -2.754
  130    H    GLU  16           HN       GLU  16   4.918  -5.509  -6.026
  131    HA   GLU  16           HA       GLU  16   7.033  -5.657  -7.844
  132    HB2  GLU  16           HB2      GLU  16   4.280  -4.501  -8.169
  133    HB3  GLU  16           HB1      GLU  16   5.426  -4.746  -9.490
  134    HG2  GLU  16           HG2      GLU  16   5.497  -7.143  -8.984
  135    HG3  GLU  16           HG1      GLU  16   4.346  -6.895  -7.676
  136    H    SER  17           HN       SER  17   5.775  -2.875  -6.069
  137    HA   SER  17           HA       SER  17   7.446  -1.074  -7.631
  138    HB2  SER  17           HB2      SER  17   6.068  -0.406  -5.061
  139    HB3  SER  17           HB1      SER  17   6.425   0.638  -6.438
  140    HG   SER  17           HG       SER  17   4.271  -0.543  -5.886
  141    H    ALA  18           HN       ALA  18   7.709  -3.064  -4.911
  142    HA   ALA  18           HA       ALA  18   9.245  -1.621  -3.092
  143    HB1  ALA  18           HB1      ALA  18   8.087  -3.707  -2.592
  144    HB2  ALA  18           HB2      ALA  18   9.778  -3.744  -2.093
  145    HB3  ALA  18           HB3      ALA  18   9.271  -4.584  -3.560
  146    H    GLY  19           HN       GLY  19  10.224  -3.018  -6.046
  147    HA2  GLY  19           HA2      GLY  19  12.905  -2.140  -5.584
  148    HA3  GLY  19           HA1      GLY  19  12.732  -3.885  -5.750
  149    H    GLU  20           HN       GLU  20  13.677  -4.159  -7.601
  150    HA   GLU  20           HA       GLU  20  13.257  -2.478  -9.895
  151    HB2  GLU  20           HB2      GLU  20  15.407  -3.544  -9.291
  152    HB3  GLU  20           HB1      GLU  20  14.663  -5.111  -9.537
  153    HG2  GLU  20           HG2      GLU  20  14.306  -4.442 -11.926
  154    HG3  GLU  20           HG1      GLU  20  15.310  -3.026 -11.599
  155    H    THR  21           HN       THR  21  10.861  -2.868  -9.919
  156    HA   THR  21           HA       THR  21   8.932  -3.838 -10.600
  157    HB   THR  21           HB       THR  21  10.704  -5.179 -12.653
  158    HG1  THR  21           HG1      THR  21  10.953  -2.833 -12.383
  159   HG21  THR  21          HG21      THR  21   8.374  -5.960 -12.619
  160   HG22  THR  21          HG22      THR  21   8.686  -5.021 -14.084
  161   HG23  THR  21          HG23      THR  21   7.805  -4.297 -12.734
  162    H    ASP  22           HN       ASP  22   8.732  -4.976  -8.744
  163    HA   ASP  22           HA       ASP  22   8.214  -6.769  -7.417
  164    HB2  ASP  22           HB2      ASP  22   7.513  -8.085  -9.467
  165    HB3  ASP  22           HB1      ASP  22   9.179  -8.593  -9.672
  166    H    GLY  23           HN       GLY  23   9.614  -6.182  -5.981
  167    HA2  GLY  23           HA2      GLY  23  12.379  -7.200  -6.306
  168    HA3  GLY  23           HA1      GLY  23  12.026  -5.600  -5.692
  169    H    THR  24           HN       THR  24   9.892  -6.478  -3.877
  170    HA   THR  24           HA       THR  24  11.483  -8.041  -1.971
  171    HB   THR  24           HB       THR  24   9.793  -5.625  -1.222
  172    HG1  THR  24           HG1      THR  24  11.585  -4.366  -1.389
  173   HG21  THR  24          HG21      THR  24  10.351  -7.226   0.570
  174   HG22  THR  24          HG22      THR  24  11.157  -5.676   0.815
  175   HG23  THR  24          HG23      THR  24  12.062  -7.051   0.181
  176    H    ASP  25           HN       ASP  25  10.330  -9.798  -1.620
  177    HA   ASP  25           HA       ASP  25   7.687 -10.174  -2.526
  178    HB2  ASP  25           HB2      ASP  25   7.786 -12.431  -1.648
  179    HB3  ASP  25           HB1      ASP  25   9.294 -12.020  -2.450
  180    H    LEU  26           HN       LEU  26   8.788  -9.489   0.777
  181    HA   LEU  26           HA       LEU  26   7.698  -9.113   2.682
  182    HB2  LEU  26           HB2      LEU  26   5.687  -8.069   0.729
  183    HB3  LEU  26           HB1      LEU  26   5.299  -8.112   2.434
  184    HG   LEU  26           HG       LEU  26   6.011  -5.964   2.077
  185   HD11  LEU  26          HD11      LEU  26   8.380  -7.465   3.082
  186   HD12  LEU  26          HD12      LEU  26   7.012  -6.856   4.015
  187   HD13  LEU  26          HD13      LEU  26   8.139  -5.723   3.256
  188   HD21  LEU  26          HD21      LEU  26   8.344  -6.999   0.483
  189   HD22  LEU  26          HD22      LEU  26   8.050  -5.309   0.886
  190   HD23  LEU  26          HD23      LEU  26   6.919  -6.180  -0.153
  191    H    SER  27           HN       SER  27   7.437 -11.782   1.615
  192    HA   SER  27           HA       SER  27   4.809 -12.691   2.344
  193    HB2  SER  27           HB2      SER  27   7.307 -14.358   2.064
  194    HB3  SER  27           HB1      SER  27   5.634 -14.892   1.881
  195    HG   SER  27           HG       SER  27   7.246 -13.364   0.236
  196    H    GLY  28           HN       GLY  28   4.353 -12.159   4.403
  197    HA2  GLY  28           HA2      GLY  28   4.837 -13.694   6.525
  198    HA3  GLY  28           HA1      GLY  28   6.171 -12.528   6.571
  199    H    ASP  29           HN       ASP  29   5.371 -11.438   8.399
  200    HA   ASP  29           HA       ASP  29   2.733 -10.229   8.095
  201    HB2  ASP  29           HB2      ASP  29   4.609 -10.223  10.474
  202    HB3  ASP  29           HB1      ASP  29   3.090  -9.333  10.425
  203    H    PHE  30           HN       PHE  30   3.284  -8.963   6.401
  204    HA   PHE  30           HA       PHE  30   5.471  -7.132   6.629
  205    HB2  PHE  30           HB2      PHE  30   4.838  -6.350   4.392
  206    HB3  PHE  30           HB1      PHE  30   5.013  -8.092   4.464
  207    HD1  PHE  30           HD2      PHE  30   3.009  -9.533   4.348
  208    HD2  PHE  30           HD1      PHE  30   2.765  -5.317   3.843
  209    HE1  PHE  30           HE2      PHE  30   0.778  -9.785   3.361
  210    HE2  PHE  30           HE1      PHE  30   0.524  -5.564   2.860
  211    HZ   PHE  30           HZ       PHE  30  -0.424  -7.779   2.522
  212    H    LEU  31           HN       LEU  31   2.227  -7.052   7.508
  213    HA   LEU  31           HA       LEU  31   1.758  -4.250   7.178
  214    HB2  LEU  31           HB2      LEU  31   0.428  -6.227   9.035
  215    HB3  LEU  31           HB1      LEU  31  -0.092  -4.580   8.810
  216    HG   LEU  31           HG       LEU  31  -1.581  -5.944   7.631
  217   HD11  LEU  31          HD11      LEU  31  -1.345  -5.254   5.313
  218   HD12  LEU  31          HD12      LEU  31   0.313  -4.756   5.644
  219   HD13  LEU  31          HD13      LEU  31  -1.029  -3.944   6.451
  220   HD21  LEU  31          HD21      LEU  31  -0.252  -7.948   7.538
  221   HD22  LEU  31          HD22      LEU  31   0.759  -7.242   6.266
  222   HD23  LEU  31          HD23      LEU  31  -0.948  -7.575   5.962
  223    H    ASP  32           HN       ASP  32   3.285  -6.234   9.496
  224    HA   ASP  32           HA       ASP  32   3.302  -4.192  11.556
  225    HB2  ASP  32           HB2      ASP  32   2.850  -6.569  12.123
  226    HB3  ASP  32           HB1      ASP  32   4.466  -6.982  11.571
  227    H    LEU  33           HN       LEU  33   5.051  -4.966   8.882
  228    HA   LEU  33           HA       LEU  33   7.604  -4.071   9.978
  229    HB2  LEU  33           HB2      LEU  33   6.885  -5.240   7.287
  230    HB3  LEU  33           HB1      LEU  33   8.480  -4.665   7.716
  231    HG   LEU  33           HG       LEU  33   7.050  -6.990   9.008
  232   HD11  LEU  33          HD11      LEU  33   7.720  -7.450   6.721
  233   HD12  LEU  33          HD12      LEU  33   8.745  -8.336   7.858
  234   HD13  LEU  33          HD13      LEU  33   9.345  -6.867   7.079
  235   HD21  LEU  33          HD21      LEU  33   8.558  -5.837  10.554
  236   HD22  LEU  33          HD22      LEU  33   9.862  -5.942   9.369
  237   HD23  LEU  33          HD23      LEU  33   9.202  -7.411  10.091
  238    H    ARG  34           HN       ARG  34   8.076  -2.054   9.750
  239    HA   ARG  34           HA       ARG  34   6.296  -0.264   8.359
  240    HB2  ARG  34           HB2      ARG  34   8.990   0.394   9.539
  241    HB3  ARG  34           HB1      ARG  34   7.697   1.515   9.149
  242    HG2  ARG  34           HG2      ARG  34   6.303   0.432  10.890
  243    HG3  ARG  34           HG1      ARG  34   7.694  -0.563  11.324
  244    HD2  ARG  34           HD2      ARG  34   7.484   2.434  11.448
  245    HD3  ARG  34           HD1      ARG  34   7.584   1.316  12.809
  246    HE   ARG  34           HE       ARG  34   9.836   0.771  12.020
  247   HH11  ARG  34          HH11      ARG  34   8.402   3.787  10.809
  248   HH12  ARG  34          HH12      ARG  34   9.883   4.631  10.751
  249   HH21  ARG  34          HH21      ARG  34  11.898   1.930  11.877
  250   HH22  ARG  34          HH22      ARG  34  11.886   3.565  11.412
  251    H    PHE  35           HN       PHE  35   6.921   1.165   6.665
  252    HA   PHE  35           HA       PHE  35   8.171  -0.175   4.558
  253    HB2  PHE  35           HB2      PHE  35   7.367   2.716   4.834
  254    HB3  PHE  35           HB1      PHE  35   8.072   2.064   3.356
  255    HD1  PHE  35           HD2      PHE  35   6.860  -0.064   2.387
  256    HD2  PHE  35           HD1      PHE  35   5.097   2.670   5.106
  257    HE1  PHE  35           HE2      PHE  35   4.637  -0.805   1.690
  258    HE2  PHE  35           HE1      PHE  35   2.870   1.926   4.411
  259    HZ   PHE  35           HZ       PHE  35   2.665   0.163   2.630
  260    H    GLU  36           HN       GLU  36   9.462   2.167   6.779
  261    HA   GLU  36           HA       GLU  36  11.891   2.662   5.460
  262    HB2  GLU  36           HB2      GLU  36  11.384   2.595   8.438
  263    HB3  GLU  36           HB1      GLU  36  12.703   3.425   7.625
  264    HG2  GLU  36           HG2      GLU  36   9.774   4.085   7.386
  265    HG3  GLU  36           HG1      GLU  36  10.970   4.976   8.319
  266    H    ASP  37           HN       ASP  37  10.831   0.052   7.564
  267    HA   ASP  37           HA       ASP  37  13.477  -1.050   7.875
  268    HB2  ASP  37           HB2      ASP  37  10.786  -2.114   8.754
  269    HB3  ASP  37           HB1      ASP  37  12.314  -2.919   9.069
  270    H    ILE  38           HN       ILE  38  11.118  -1.249   5.466
  271    HA   ILE  38           HA       ILE  38  12.237  -3.824   4.605
  272    HB   ILE  38           HB       ILE  38  10.248  -4.035   3.048
  273   HG12  ILE  38          HG12      ILE  38   9.165  -1.758   4.726
  274   HG13  ILE  38          HG11      ILE  38   9.595  -1.690   3.020
  275   HG21  ILE  38          HG21      ILE  38  10.392  -5.274   5.138
  276   HG22  ILE  38          HG22      ILE  38   8.724  -4.782   4.841
  277   HG23  ILE  38          HG23      ILE  38   9.712  -3.907   6.015
  278   HD11  ILE  38          HD11      ILE  38   7.186  -1.862   3.335
  279   HD12  ILE  38          HD12      ILE  38   7.402  -3.379   4.207
  280   HD13  ILE  38          HD13      ILE  38   7.822  -3.278   2.497
  281    H    GLY  39           HN       GLY  39  13.333  -1.158   4.265
  282    HA2  GLY  39           HA2      GLY  39  14.472   0.061   2.670
  283    HA3  GLY  39           HA1      GLY  39  14.482  -1.432   1.740
  284    H    TYR  40           HN       TYR  40  11.877   0.746   2.739
  285    HA   TYR  40           HA       TYR  40  11.008   0.754  -0.055
  286    HB2  TYR  40           HB2      TYR  40   9.593   0.119   2.235
  287    HB3  TYR  40           HB1      TYR  40   9.148   1.788   1.906
  288    HD1  TYR  40           HD1      TYR  40   9.299  -1.588   0.311
  289    HD2  TYR  40           HD2      TYR  40   7.668   2.330   0.325
  290    HE1  TYR  40           HE1      TYR  40   7.655  -2.279  -1.361
  291    HE2  TYR  40           HE2      TYR  40   6.055   1.706  -1.329
  292    HH   TYR  40           HH       TYR  40   5.500   0.003  -2.896
  293    H    ASP  41           HN       ASP  41  11.001   2.581  -1.082
  294    HA   ASP  41           HA       ASP  41  11.424   5.057   0.371
  295    HB2  ASP  41           HB2      ASP  41  11.884   5.993  -1.873
  296    HB3  ASP  41           HB1      ASP  41  12.934   4.624  -1.528
  297    H    SER  42           HN       SER  42   9.911   6.782   0.034
  298    HA   SER  42           HA       SER  42   7.316   5.754  -0.169
  299    HB2  SER  42           HB2      SER  42   6.898   8.425  -0.052
  300    HB3  SER  42           HB1      SER  42   7.166   7.437   1.375
  301    H    LEU  43           HN       LEU  43   9.388   6.929  -2.588
  302    HA   LEU  43           HA       LEU  43   7.375   7.836  -4.377
  303    HB2  LEU  43           HB2      LEU  43   9.853   8.269  -4.620
  304    HB3  LEU  43           HB1      LEU  43  10.072   6.585  -5.017
  305    HG   LEU  43           HG       LEU  43   8.462   8.510  -6.728
  306   HD11  LEU  43          HD11      LEU  43  10.426   8.591  -8.164
  307   HD12  LEU  43          HD12      LEU  43  11.321   7.616  -7.000
  308   HD13  LEU  43          HD13      LEU  43  10.775   9.234  -6.560
  309   HD21  LEU  43          HD21      LEU  43   8.791   6.845  -8.486
  310   HD22  LEU  43          HD22      LEU  43   7.956   6.127  -7.108
  311   HD23  LEU  43          HD23      LEU  43   9.672   5.809  -7.363
  312    H    ALA  44           HN       ALA  44   9.001   4.724  -3.895
  313    HA   ALA  44           HA       ALA  44   7.478   3.166  -5.660
  314    HB1  ALA  44           HB1      ALA  44   8.187   1.232  -4.336
  315    HB2  ALA  44           HB2      ALA  44   8.656   2.291  -3.009
  316    HB3  ALA  44           HB3      ALA  44   9.531   2.352  -4.539
  317    H    LEU  45           HN       LEU  45   6.915   4.164  -2.383
  318    HA   LEU  45           HA       LEU  45   4.615   2.653  -1.857
  319    HB2  LEU  45           HB2      LEU  45   5.908   3.740  -0.113
  320    HB3  LEU  45           HB1      LEU  45   5.512   5.313  -0.758
  321    HG   LEU  45           HG       LEU  45   3.192   5.049  -0.071
  322   HD11  LEU  45          HD11      LEU  45   3.000   2.632  -0.399
  323   HD12  LEU  45          HD12      LEU  45   2.495   3.105   1.224
  324   HD13  LEU  45          HD13      LEU  45   4.074   2.361   0.973
  325   HD21  LEU  45          HD21      LEU  45   3.547   5.025   2.342
  326   HD22  LEU  45          HD22      LEU  45   4.798   5.960   1.519
  327   HD23  LEU  45          HD23      LEU  45   5.150   4.334   2.104
  328    H    MET  46           HN       MET  46   4.986   5.931  -3.155
  329    HA   MET  46           HA       MET  46   2.275   6.571  -3.523
  330    HB2  MET  46           HB2      MET  46   4.618   7.387  -5.257
  331    HB3  MET  46           HB1      MET  46   3.035   8.140  -5.271
  332    HG2  MET  46           HG2      MET  46   4.977   8.112  -2.983
  333    HG3  MET  46           HG1      MET  46   4.665   9.450  -4.089
  334    HE1  MET  46           HE1      MET  46   1.005  10.448  -3.137
  335    HE2  MET  46           HE2      MET  46   1.530   9.372  -4.430
  336    HE3  MET  46           HE3      MET  46   2.420  10.858  -4.104
  337    H    GLU  47           HN       GLU  47   4.598   5.036  -5.638
  338    HA   GLU  47           HA       GLU  47   3.015   4.730  -7.926
  339    HB2  GLU  47           HB2      GLU  47   5.572   4.476  -7.419
  340    HB3  GLU  47           HB1      GLU  47   5.190   2.793  -7.126
  341    HG2  GLU  47           HG2      GLU  47   4.497   4.144  -9.729
  342    HG3  GLU  47           HG1      GLU  47   6.096   3.492  -9.434
  343    H    THR  48           HN       THR  48   3.643   2.459  -5.236
  344    HA   THR  48           HA       THR  48   1.943   0.381  -5.936
  345    HB   THR  48           HB       THR  48   2.761   1.475  -3.229
  346    HG1  THR  48           HG1      THR  48   4.471   0.130  -3.460
  347   HG21  THR  48          HG21      THR  48   0.718   0.114  -2.962
  348   HG22  THR  48          HG22      THR  48   2.120  -0.715  -2.285
  349   HG23  THR  48          HG23      THR  48   1.481  -1.202  -3.856
  350    H    ALA  49           HN       ALA  49   1.204   3.161  -3.782
  351    HA   ALA  49           HA       ALA  49  -1.443   2.518  -3.243
  352    HB1  ALA  49           HB1      ALA  49  -1.689   4.806  -2.469
  353    HB2  ALA  49           HB2      ALA  49  -0.215   5.271  -3.316
  354    HB3  ALA  49           HB3      ALA  49  -0.136   4.150  -1.958
  355    H    ALA  50           HN       ALA  50  -0.154   4.637  -5.784
  356    HA   ALA  50           HA       ALA  50  -2.616   5.597  -6.750
  357    HB1  ALA  50           HB1      ALA  50  -0.057   5.223  -8.299
  358    HB2  ALA  50           HB2      ALA  50  -0.450   6.622  -7.301
  359    HB3  ALA  50           HB3      ALA  50  -1.402   6.271  -8.746
  360    H    ARG  51           HN       ARG  51  -0.894   2.661  -7.422
  361    HA   ARG  51           HA       ARG  51  -2.297   1.909  -9.773
  362    HB2  ARG  51           HB2      ARG  51  -0.118   0.946  -8.960
  363    HB3  ARG  51           HB1      ARG  51  -1.022   0.112  -7.711
  364    HG2  ARG  51           HG2      ARG  51  -2.253  -1.124  -9.448
  365    HG3  ARG  51           HG1      ARG  51  -1.303  -0.301 -10.687
  366    HD2  ARG  51           HD2      ARG  51  -0.303  -2.177  -8.548
  367    HD3  ARG  51           HD1      ARG  51  -0.293  -2.438 -10.294
  368    HE   ARG  51           HE       ARG  51   1.179  -0.326 -10.237
  369   HH11  ARG  51          HH11      ARG  51   1.500  -3.229  -8.287
  370   HH12  ARG  51          HH12      ARG  51   2.963  -2.744  -7.549
  371   HH21  ARG  51          HH21      ARG  51   3.225   0.315  -9.278
  372   HH22  ARG  51          HH22      ARG  51   3.968  -0.701  -8.144
  373    H    LEU  52           HN       LEU  52  -2.668   1.153  -6.350
  374    HA   LEU  52           HA       LEU  52  -4.957  -0.500  -6.653
  375    HB2  LEU  52           HB2      LEU  52  -3.935   0.986  -4.234
  376    HB3  LEU  52           HB1      LEU  52  -5.188  -0.238  -4.197
  377    HG   LEU  52           HG       LEU  52  -2.314  -0.708  -5.003
  378   HD11  LEU  52          HD11      LEU  52  -2.151  -1.945  -2.908
  379   HD12  LEU  52          HD12      LEU  52  -3.799  -1.473  -2.497
  380   HD13  LEU  52          HD13      LEU  52  -2.537  -0.248  -2.624
  381   HD21  LEU  52          HD21      LEU  52  -4.598  -2.649  -4.620
  382   HD22  LEU  52          HD22      LEU  52  -2.921  -3.083  -4.947
  383   HD23  LEU  52          HD23      LEU  52  -3.858  -2.208  -6.159
  384    H    GLU  53           HN       GLU  53  -4.503   2.961  -5.859
  385    HA   GLU  53           HA       GLU  53  -7.019   3.739  -5.325
  386    HB2  GLU  53           HB2      GLU  53  -4.551   4.805  -6.391
  387    HB3  GLU  53           HB1      GLU  53  -5.933   5.819  -6.591
  388    HG2  GLU  53           HG2      GLU  53  -6.167   5.570  -4.044
  389    HG3  GLU  53           HG1      GLU  53  -4.565   4.826  -4.112
  390    H    SER  54           HN       SER  54  -5.333   3.729  -8.435
  391    HA   SER  54           HA       SER  54  -7.546   4.704  -9.897
  392    HB2  SER  54           HB2      SER  54  -5.049   3.323 -10.878
  393    HB3  SER  54           HB1      SER  54  -6.125   4.351 -11.826
  394    HG   SER  54           HG       SER  54  -4.268   5.019  -9.858
  395    H    ARG  55           HN       ARG  55  -6.470   1.503  -9.034
  396    HA   ARG  55           HA       ARG  55  -7.980   0.235 -11.119
  397    HB2  ARG  55           HB2      ARG  55  -5.894  -0.768 -10.287
  398    HB3  ARG  55           HB1      ARG  55  -6.632  -0.986  -8.707
  399    HG2  ARG  55           HG2      ARG  55  -8.267  -2.521  -9.686
  400    HG3  ARG  55           HG1      ARG  55  -7.520  -2.298 -11.268
  401    HD2  ARG  55           HD2      ARG  55  -6.159  -3.423  -8.822
  402    HD3  ARG  55           HD1      ARG  55  -6.786  -4.372 -10.167
  403    HE   ARG  55           HE       ARG  55  -5.074  -2.568 -11.283
  404   HH11  ARG  55          HH11      ARG  55  -4.760  -5.154  -8.836
  405   HH12  ARG  55          HH12      ARG  55  -3.159  -5.543  -9.274
  406   HH21  ARG  55          HH21      ARG  55  -2.840  -3.078 -11.800
  407   HH22  ARG  55          HH22      ARG  55  -2.032  -4.312 -10.963
  408    H    TYR  56           HN       TYR  56  -8.453   0.830  -7.649
  409    HA   TYR  56           HA       TYR  56 -10.975  -0.629  -7.920
  410    HB2  TYR  56           HB2      TYR  56  -9.415  -0.040  -5.412
  411    HB3  TYR  56           HB1      TYR  56 -10.955  -0.908  -5.469
  412    HD1  TYR  56           HD1      TYR  56 -11.078  -3.029  -6.875
  413    HD2  TYR  56           HD2      TYR  56  -7.411  -1.174  -5.791
  414    HE1  TYR  56           HE1      TYR  56  -9.900  -5.150  -7.242
  415    HE2  TYR  56           HE2      TYR  56  -6.222  -3.284  -6.172
  416    HH   TYR  56           HH       TYR  56  -6.701  -5.648  -6.184
  417    H    GLY  57           HN       GLY  57  -9.820   2.548  -7.356
  418    HA2  GLY  57           HA2      GLY  57 -11.298   4.346  -7.776
  419    HA3  GLY  57           HA1      GLY  57 -12.624   3.352  -7.202
  420    H    VAL  58           HN       VAL  58  -9.503   4.425  -5.830
  421    HA   VAL  58           HA       VAL  58 -11.049   5.676  -3.695
  422    HB   VAL  58           HB       VAL  58  -9.466   5.036  -1.933
  423   HG11  VAL  58          HG11      VAL  58 -10.342   2.643  -3.497
  424   HG12  VAL  58          HG12      VAL  58 -11.313   3.527  -2.310
  425   HG13  VAL  58          HG13      VAL  58  -9.867   2.640  -1.799
  426   HG21  VAL  58          HG21      VAL  58  -7.447   4.869  -3.360
  427   HG22  VAL  58          HG22      VAL  58  -8.061   3.295  -3.933
  428   HG23  VAL  58          HG23      VAL  58  -7.651   3.523  -2.242
  429    H    SER  59           HN       SER  59  -9.443   7.201  -2.335
  430    HA   SER  59           HA       SER  59  -7.510   8.409  -4.153
  431    HB2  SER  59           HB2      SER  59  -9.720   9.954  -2.773
  432    HB3  SER  59           HB1      SER  59  -8.440  10.638  -3.777
  433    HG   SER  59           HG       SER  59  -9.580   8.692  -5.134
  434    H    ILE  60           HN       ILE  60  -5.705   8.356  -3.069
  435    HA   ILE  60           HA       ILE  60  -5.680   9.175  -0.250
  436    HB   ILE  60           HB       ILE  60  -3.923   7.054  -1.573
  437   HG12  ILE  60          HG12      ILE  60  -5.981   6.828   0.645
  438   HG13  ILE  60          HG11      ILE  60  -6.222   6.327  -1.020
  439   HG21  ILE  60          HG21      ILE  60  -2.879   6.737   0.656
  440   HG22  ILE  60          HG22      ILE  60  -3.827   8.076   1.283
  441   HG23  ILE  60          HG23      ILE  60  -2.611   8.365   0.044
  442   HD11  ILE  60          HD11      ILE  60  -4.235   5.148   0.905
  443   HD12  ILE  60          HD12      ILE  60  -4.524   4.604  -0.754
  444   HD13  ILE  60          HD13      ILE  60  -5.796   4.463   0.465
  445    HA   PRO  61           HA       PRO  61  -3.539  12.587  -2.330
  446    HB2  PRO  61           HB2      PRO  61  -3.364  13.402   0.532
  447    HB3  PRO  61           HB1      PRO  61  -3.905  14.330  -0.873
  448    HG2  PRO  61           HG2      PRO  61  -5.680  13.387   0.842
  449    HG3  PRO  61           HG1      PRO  61  -5.997  13.313  -0.903
  450    HD2  PRO  61           HD2      PRO  61  -5.119  11.141   0.958
  451    HD3  PRO  61           HD1      PRO  61  -6.298  11.079  -0.370
  452    H    ASP  62           HN       ASP  62  -1.460  13.444  -2.351
  453    HA   ASP  62           HA       ASP  62   0.685  11.701  -2.071
  454    HB2  ASP  62           HB2      ASP  62   0.856  14.740  -2.066
  455    HB3  ASP  62           HB1      ASP  62   2.185  13.647  -2.407
  456    H    ASP  63           HN       ASP  63  -0.172  14.404   0.037
  457    HA   ASP  63           HA       ASP  63   1.814  14.077   1.988
  458    HB2  ASP  63           HB2      ASP  63   0.616  16.120   2.034
  459    HB3  ASP  63           HB1      ASP  63  -0.935  15.303   2.150
  460    H    VAL  64           HN       VAL  64  -1.179  12.401   1.585
  461    HA   VAL  64           HA       VAL  64  -1.090  11.249   4.255
  462    HB   VAL  64           HB       VAL  64  -2.988  10.630   1.962
  463   HG11  VAL  64          HG11      VAL  64  -4.444   9.688   3.695
  464   HG12  VAL  64          HG12      VAL  64  -3.201  10.002   4.905
  465   HG13  VAL  64          HG13      VAL  64  -2.900   8.841   3.614
  466   HG21  VAL  64          HG21      VAL  64  -4.590  12.067   3.138
  467   HG22  VAL  64          HG22      VAL  64  -3.155  12.965   2.636
  468   HG23  VAL  64          HG23      VAL  64  -3.345  12.476   4.320
  469    H    ALA  65           HN       ALA  65  -0.710  10.202   0.898
  470    HA   ALA  65           HA       ALA  65  -0.246   7.478   1.401
  471    HB1  ALA  65           HB1      ALA  65  -0.804   8.353  -0.817
  472    HB2  ALA  65           HB2      ALA  65   0.677   7.390  -0.846
  473    HB3  ALA  65           HB3      ALA  65   0.769   9.148  -0.891
  474    H    GLY  66           HN       GLY  66   2.027  10.185   1.026
  475    HA2  GLY  66           HA2      GLY  66   4.255   8.440   1.687
  476    HA3  GLY  66           HA1      GLY  66   4.338  10.168   1.361
  477    H    ARG  67           HN       ARG  67   2.219   8.641   3.616
  478    HA   ARG  67           HA       ARG  67   3.707   9.667   5.938
  479    HB2  ARG  67           HB2      ARG  67   2.074  11.335   5.161
  480    HB3  ARG  67           HB1      ARG  67   0.806  10.148   5.283
  481    HG2  ARG  67           HG2      ARG  67   1.030  10.162   7.705
  482    HG3  ARG  67           HG1      ARG  67   2.358  11.330   7.573
  483    HD2  ARG  67           HD2      ARG  67   0.912  12.921   6.479
  484    HD3  ARG  67           HD1      ARG  67  -0.415  11.767   6.475
  485    HE   ARG  67           HE       ARG  67   0.392  12.135   9.095
  486   HH11  ARG  67          HH11      ARG  67  -1.029  14.160   6.489
  487   HH12  ARG  67          HH12      ARG  67  -1.975  15.075   7.546
  488   HH21  ARG  67          HH21      ARG  67  -0.870  13.484  10.547
  489   HH22  ARG  67          HH22      ARG  67  -1.886  14.697   9.904
  490    H    VAL  68           HN       VAL  68   2.135   7.137   4.390
  491    HA   VAL  68           HA       VAL  68   1.231   5.922   6.846
  492    HB   VAL  68           HB       VAL  68   0.440   4.013   5.378
  493   HG11  VAL  68          HG11      VAL  68  -1.473   5.238   4.474
  494   HG12  VAL  68          HG12      VAL  68  -0.607   6.752   4.740
  495   HG13  VAL  68          HG13      VAL  68  -1.056   5.738   6.112
  496   HG21  VAL  68          HG21      VAL  68   0.194   4.400   2.949
  497   HG22  VAL  68          HG22      VAL  68   1.907   4.358   3.385
  498   HG23  VAL  68          HG23      VAL  68   1.099   5.894   3.089
  499    H    ASP  69           HN       ASP  69   3.001   5.574   7.940
  500    HA   ASP  69           HA       ASP  69   5.463   4.683   6.878
  501    HB2  ASP  69           HB2      ASP  69   5.199   6.062   8.933
  502    HB3  ASP  69           HB1      ASP  69   4.498   4.672   9.732
  503    H    THR  70           HN       THR  70   2.710   3.044   8.199
  504    HA   THR  70           HA       THR  70   4.124   0.503   7.792
  505    HB   THR  70           HB       THR  70   2.575  -0.524   9.446
  506    HG1  THR  70           HG1      THR  70   1.624   2.157   9.599
  507   HG21  THR  70          HG21      THR  70   3.474   0.562  11.455
  508   HG22  THR  70          HG22      THR  70   3.987   1.932  10.457
  509   HG23  THR  70          HG23      THR  70   4.722   0.345  10.219
  510    HA   PRO  71           HA       PRO  71   1.407  -0.374   4.412
  511    HB2  PRO  71           HB2      PRO  71   1.489  -3.194   5.359
  512    HB3  PRO  71           HB1      PRO  71   1.900  -2.522   3.775
  513    HG2  PRO  71           HG2      PRO  71   3.825  -3.281   5.414
  514    HG3  PRO  71           HG1      PRO  71   3.986  -1.773   4.487
  515    HD2  PRO  71           HD2      PRO  71   3.227  -2.155   7.365
  516    HD3  PRO  71           HD1      PRO  71   4.352  -0.980   6.647
  517    H    ARG  72           HN       ARG  72   0.580  -1.512   7.611
  518    HA   ARG  72           HA       ARG  72  -2.052  -2.341   6.967
  519    HB2  ARG  72           HB2      ARG  72  -2.545  -2.269   9.375
  520    HB3  ARG  72           HB1      ARG  72  -1.025  -3.089   9.062
  521    HG2  ARG  72           HG2      ARG  72   0.210  -1.153   9.779
  522    HG3  ARG  72           HG1      ARG  72  -1.282  -0.234   9.966
  523    HD2  ARG  72           HD2      ARG  72  -0.521  -0.986  12.126
  524    HD3  ARG  72           HD1      ARG  72  -2.013  -1.811  11.699
  525    HE   ARG  72           HE       ARG  72  -0.771  -3.799  11.304
  526   HH11  ARG  72          HH11      ARG  72   1.198  -1.168  12.660
  527   HH12  ARG  72          HH12      ARG  72   2.279  -2.205  13.471
  528   HH21  ARG  72          HH21      ARG  72   0.693  -5.229  12.549
  529   HH22  ARG  72          HH22      ARG  72   2.000  -4.549  13.406
  530    H    GLU  73           HN       GLU  73  -0.627   0.762   7.521
  531    HA   GLU  73           HA       GLU  73  -3.058   2.173   8.015
  532    HB2  GLU  73           HB2      GLU  73  -0.340   3.076   7.092
  533    HB3  GLU  73           HB1      GLU  73  -1.646   4.175   7.475
  534    HG2  GLU  73           HG2      GLU  73  -1.641   3.461   9.755
  535    HG3  GLU  73           HG1      GLU  73  -0.431   2.225   9.392
  536    H    LEU  74           HN       LEU  74  -1.150   1.345   5.208
  537    HA   LEU  74           HA       LEU  74  -2.462   2.999   3.311
  538    HB2  LEU  74           HB2      LEU  74  -0.243   1.514   3.179
  539    HB3  LEU  74           HB1      LEU  74  -1.361   0.301   2.599
  540    HG   LEU  74           HG       LEU  74  -0.792   2.953   1.267
  541   HD11  LEU  74          HD11      LEU  74   0.019   0.159   0.521
  542   HD12  LEU  74          HD12      LEU  74   1.070   1.455   1.101
  543   HD13  LEU  74          HD13      LEU  74   0.272   1.599  -0.464
  544   HD21  LEU  74          HD21      LEU  74  -2.487   0.639   0.303
  545   HD22  LEU  74          HD22      LEU  74  -2.100   2.089  -0.624
  546   HD23  LEU  74          HD23      LEU  74  -3.097   2.208   0.824
  547    H    LEU  75           HN       LEU  75  -2.914  -0.370   4.340
  548    HA   LEU  75           HA       LEU  75  -5.196  -0.794   2.712
  549    HB2  LEU  75           HB2      LEU  75  -3.830  -2.666   3.474
  550    HB3  LEU  75           HB1      LEU  75  -4.232  -2.313   5.141
  551    HG   LEU  75           HG       LEU  75  -6.559  -2.964   4.742
  552   HD11  LEU  75          HD11      LEU  75  -6.735  -2.268   2.395
  553   HD12  LEU  75          HD12      LEU  75  -7.293  -3.908   2.642
  554   HD13  LEU  75          HD13      LEU  75  -5.707  -3.622   1.917
  555   HD21  LEU  75          HD21      LEU  75  -4.582  -5.009   3.736
  556   HD22  LEU  75          HD22      LEU  75  -6.197  -5.354   4.348
  557   HD23  LEU  75          HD23      LEU  75  -4.971  -4.684   5.425
  558    H    ASP  76           HN       ASP  76  -4.718   0.489   5.906
  559    HA   ASP  76           HA       ASP  76  -7.383   0.360   6.859
  560    HB2  ASP  76           HB2      ASP  76  -5.569   0.874   8.387
  561    HB3  ASP  76           HB1      ASP  76  -5.160   2.319   7.473
  562    H    LEU  77           HN       LEU  77  -5.582   2.821   5.149
  563    HA   LEU  77           HA       LEU  77  -7.588   4.741   4.864
  564    HB2  LEU  77           HB2      LEU  77  -5.292   4.050   3.052
  565    HB3  LEU  77           HB1      LEU  77  -6.289   5.468   2.863
  566    HG   LEU  77           HG       LEU  77  -4.481   4.885   5.218
  567   HD11  LEU  77          HD11      LEU  77  -4.249   6.832   2.945
  568   HD12  LEU  77          HD12      LEU  77  -3.279   5.376   3.179
  569   HD13  LEU  77          HD13      LEU  77  -3.160   6.707   4.327
  570   HD21  LEU  77          HD21      LEU  77  -5.003   7.167   5.893
  571   HD22  LEU  77          HD22      LEU  77  -6.468   6.184   5.845
  572   HD23  LEU  77          HD23      LEU  77  -6.127   7.325   4.543
  573    H    ILE  78           HN       ILE  78  -6.555   2.178   2.643
  574    HA   ILE  78           HA       ILE  78  -8.620   2.704   0.816
  575    HB   ILE  78           HB       ILE  78  -6.817   0.305   1.112
  576   HG12  ILE  78          HG12      ILE  78  -6.965   2.618  -0.821
  577   HG13  ILE  78          HG11      ILE  78  -5.705   2.278   0.355
  578   HG21  ILE  78          HG21      ILE  78  -7.622  -0.498  -1.072
  579   HG22  ILE  78          HG22      ILE  78  -8.851   0.768  -1.074
  580   HG23  ILE  78          HG23      ILE  78  -8.906  -0.512   0.137
  581   HD11  ILE  78          HD11      ILE  78  -5.035   1.790  -1.962
  582   HD12  ILE  78          HD12      ILE  78  -6.345   0.610  -2.045
  583   HD13  ILE  78          HD13      ILE  78  -4.999   0.351  -0.924
  584    H    ASN  79           HN       ASN  79  -8.494   0.632   3.599
  585    HA   ASN  79           HA       ASN  79 -10.897  -0.746   3.224
  586    HB2  ASN  79           HB2      ASN  79  -9.247  -0.060   5.567
  587    HB3  ASN  79           HB1      ASN  79 -10.942  -0.325   5.922
  588   HD21  ASN  79          HD21      ASN  79  -9.146  -1.980   3.399
  589   HD22  ASN  79          HD22      ASN  79  -9.222  -3.547   4.136
  590    H    GLY  80           HN       GLY  80 -10.266   2.355   4.788
  591    HA2  GLY  80           HA2      GLY  80 -12.989   2.852   5.443
  592    HA3  GLY  80           HA1      GLY  80 -11.686   4.034   5.447
  593    H    ALA  81           HN       ALA  81 -11.084   3.367   2.637
  594    HA   ALA  81           HA       ALA  81 -12.867   5.289   1.485
  595    HB1  ALA  81           HB1      ALA  81 -10.465   5.357   1.047
  596    HB2  ALA  81           HB2      ALA  81 -11.389   5.173  -0.443
  597    HB3  ALA  81           HB3      ALA  81 -10.565   3.783   0.262
  598    H    LEU  82           HN       LEU  82 -12.001   1.894   0.788
  599    HA   LEU  82           HA       LEU  82 -13.871   1.616  -1.326
  600    HB2  LEU  82           HB2      LEU  82 -12.282  -0.371   0.243
  601    HB3  LEU  82           HB1      LEU  82 -13.479  -0.895  -0.908
  602    HG   LEU  82           HG       LEU  82 -10.960   0.694  -1.544
  603   HD11  LEU  82          HD11      LEU  82 -10.307  -1.320  -2.705
  604   HD12  LEU  82          HD12      LEU  82 -11.791  -2.121  -2.184
  605   HD13  LEU  82          HD13      LEU  82 -10.584  -1.639  -0.992
  606   HD21  LEU  82          HD21      LEU  82 -12.854   1.344  -2.990
  607   HD22  LEU  82          HD22      LEU  82 -13.136  -0.356  -3.367
  608   HD23  LEU  82          HD23      LEU  82 -11.637   0.423  -3.874
  609    H    ALA  83           HN       ALA  83 -14.088   0.945   2.127
  610    HA   ALA  83           HA       ALA  83 -16.482  -0.579   1.897
  611    HB1  ALA  83           HB1      ALA  83 -15.374   0.856   4.304
  612    HB2  ALA  83           HB2      ALA  83 -14.982  -0.794   3.825
  613    HB3  ALA  83           HB3      ALA  83 -16.625  -0.385   4.319
  614    H    GLU  84           HN       GLU  84 -15.773   2.734   1.881
  615    HA   GLU  84           HA       GLU  84 -18.551   3.439   2.450
  616    HB2  GLU  84           HB2      GLU  84 -16.731   4.403   3.845
  617    HB3  GLU  84           HB1      GLU  84 -16.065   5.148   2.403
  618    HG2  GLU  84           HG2      GLU  84 -17.946   6.580   2.200
  619    HG3  GLU  84           HG1      GLU  84 -18.811   5.711   3.470
  620    H    ALA  85           HN       ALA  85 -17.056   2.447  -0.060
  621    HA   ALA  85           HA       ALA  85 -17.993   4.547  -1.890
  622    HB1  ALA  85           HB1      ALA  85 -15.989   2.326  -2.350
  623    HB2  ALA  85           HB2      ALA  85 -15.608   4.036  -2.145
  624    HB3  ALA  85           HB3      ALA  85 -16.511   3.497  -3.561
  625    H    ALA  86           HN       ALA  86 -19.340   3.832  -3.639
  626    HA   ALA  86           HA       ALA  86 -20.272   1.094  -3.345
  627    HB1  ALA  86           HB1      ALA  86 -22.514   1.882  -4.012
  628    HB2  ALA  86           HB2      ALA  86 -21.924   3.546  -4.017
  629    HB3  ALA  86           HB3      ALA  86 -21.990   2.635  -2.505
  630    H28  SXM  87          H28A      SXM  87   8.145  12.455  -0.270
  631   H28A  SXM  87          H28B      SXM  87   7.455  11.633  -1.673
  632    H30  SXM  87          H30A      SXM  87   3.958  11.809  -0.544
  633   H30A  SXM  87          H30B      SXM  87   5.073  10.470  -0.271
  634   H30B  SXM  87          H30C      SXM  87   5.048  11.293  -1.830
  635    H31  SXM  87          H31C      SXM  87   6.617  13.221   1.603
  636   H31A  SXM  87          H31A      SXM  87   5.931  11.601   1.721
  637   H31B  SXM  87          H31B      SXM  87   4.874  12.989   1.463
  638    H32  SXM  87          H32A      SXM  87   4.949  14.307  -0.483
  639   HO33  SXM  87          H33A      SXM  87   5.940  12.989  -2.780
  640   HN36  SXM  87          H36A      SXM  87   6.431  15.319  -2.644
  641    H37  SXM  87          H37B      SXM  87   9.141  15.919  -2.000
  642   H37A  SXM  87          H37A      SXM  87   8.112  17.252  -1.507
  643    H38  SXM  87          H38A      SXM  87   7.348  17.539  -3.789
  644   H38A  SXM  87          H38B      SXM  87   9.117  17.548  -3.782
  645   HN41  SXM  87          H41A      SXM  87   8.222  17.220  -6.133
  646    H42  SXM  87          H42A      SXM  87   8.269  14.340  -6.695
  647   H42A  SXM  87          H42B      SXM  87   7.190  15.439  -7.552
  648    H43  SXM  87          H43A      SXM  87  10.206  15.538  -7.589
  649   H43A  SXM  87          H43B      SXM  87   9.106  16.541  -8.574
  650    H2   SXM  87           H2A      SXM  87   9.529  10.864  -8.062
  651    H2A  SXM  87           H2B      SXM  87   9.404  11.462  -9.707
  Start of MODEL    2
    1    H1   MET   1           HT1      MET   1 -15.905  -3.837  -9.602
    2    H2   MET   1           HT2      MET   1 -15.723  -3.736  -7.905
    3    H3   MET   1           HT3      MET   1 -16.748  -4.859  -8.594
    4    HA   MET   1           HA       MET   1 -15.172  -6.154  -9.471
    5    HB2  MET   1           HB2      MET   1 -12.732  -5.641  -9.386
    6    HB3  MET   1           HB1      MET   1 -13.662  -4.590 -10.438
    7    HG2  MET   1           HG2      MET   1 -13.590  -2.828  -8.778
    8    HG3  MET   1           HG1      MET   1 -12.737  -3.895  -7.662
    9    HE1  MET   1           HE1      MET   1 -12.552  -1.992 -11.103
   10    HE2  MET   1           HE2      MET   1 -12.199  -3.659 -11.557
   11    HE3  MET   1           HE3      MET   1 -10.938  -2.432 -11.662
   12    H    ALA   2           HN       ALA   2 -14.562  -4.428  -6.331
   13    HA   ALA   2           HA       ALA   2 -14.624  -6.918  -4.977
   14    HB1  ALA   2           HB1      ALA   2 -12.346  -6.929  -4.126
   15    HB2  ALA   2           HB2      ALA   2 -11.952  -5.530  -5.123
   16    HB3  ALA   2           HB3      ALA   2 -12.351  -7.072  -5.884
   17    H    THR   3           HN       THR   3 -14.941  -6.656  -2.858
   18    HA   THR   3           HA       THR   3 -15.414  -3.929  -1.933
   19    HB   THR   3           HB       THR   3 -16.048  -6.538  -0.663
   20    HG1  THR   3           HG1      THR   3 -16.982  -5.906  -2.939
   21   HG21  THR   3          HG21      THR   3 -16.245  -4.607   0.817
   22   HG22  THR   3          HG22      THR   3 -17.849  -5.254   0.470
   23   HG23  THR   3          HG23      THR   3 -17.287  -3.799  -0.354
   24    H    LEU   4           HN       LEU   4 -13.578  -3.094  -1.045
   25    HA   LEU   4           HA       LEU   4 -11.770  -2.740   0.115
   26    HB2  LEU   4           HB2      LEU   4 -12.862  -4.956   1.775
   27    HB3  LEU   4           HB1      LEU   4 -11.378  -4.129   2.241
   28    HG   LEU   4           HG       LEU   4 -12.829  -2.008   2.090
   29   HD11  LEU   4          HD11      LEU   4 -14.777  -2.925   1.053
   30   HD12  LEU   4          HD12      LEU   4 -15.192  -2.299   2.650
   31   HD13  LEU   4          HD13      LEU   4 -15.016  -4.036   2.402
   32   HD21  LEU   4          HD21      LEU   4 -13.242  -3.979   4.332
   33   HD22  LEU   4          HD22      LEU   4 -13.571  -2.245   4.420
   34   HD23  LEU   4          HD23      LEU   4 -11.921  -2.817   4.177
   35    H    LEU   5           HN       LEU   5  -9.584  -3.454   0.741
   36    HA   LEU   5           HA       LEU   5  -8.751  -5.429  -1.201
   37    HB2  LEU   5           HB2      LEU   5  -7.268  -3.183   0.127
   38    HB3  LEU   5           HB1      LEU   5  -6.436  -4.475  -0.715
   39    HG   LEU   5           HG       LEU   5  -8.418  -2.567  -1.937
   40   HD11  LEU   5          HD11      LEU   5  -6.268  -1.533  -1.372
   41   HD12  LEU   5          HD12      LEU   5  -6.464  -1.703  -3.115
   42   HD13  LEU   5          HD13      LEU   5  -5.424  -2.820  -2.232
   43   HD21  LEU   5          HD21      LEU   5  -8.483  -4.785  -2.937
   44   HD22  LEU   5          HD22      LEU   5  -6.732  -4.741  -3.151
   45   HD23  LEU   5          HD23      LEU   5  -7.761  -3.607  -4.028
   46    H    THR   6           HN       THR   6  -7.536  -7.092  -0.769
   47    HA   THR   6           HA       THR   6  -7.525  -7.993   1.966
   48    HB   THR   6           HB       THR   6  -6.863 -10.165   0.955
   49    HG1  THR   6           HG1      THR   6  -7.479  -9.374  -1.621
   50   HG21  THR   6          HG21      THR   6  -8.993 -10.586  -0.189
   51   HG22  THR   6          HG22      THR   6  -9.259  -8.847  -0.327
   52   HG23  THR   6          HG23      THR   6  -9.233  -9.613   1.263
   53    H    THR   7           HN       THR   7  -5.454  -9.399   2.480
   54    HA   THR   7           HA       THR   7  -3.236  -7.651   2.440
   55    HB   THR   7           HB       THR   7  -3.210 -10.600   3.122
   56    HG1  THR   7           HG1      THR   7  -3.841  -9.996   5.165
   57   HG21  THR   7          HG21      THR   7  -1.039  -9.486   3.010
   58   HG22  THR   7          HG22      THR   7  -1.439  -9.857   4.693
   59   HG23  THR   7          HG23      THR   7  -1.627  -8.213   4.069
   60    H    ASP   8           HN       ASP   8  -4.236 -10.483   0.620
   61    HA   ASP   8           HA       ASP   8  -1.825 -11.067  -0.668
   62    HB2  ASP   8           HB2      ASP   8  -3.591 -12.670  -0.750
   63    HB3  ASP   8           HB1      ASP   8  -4.657 -11.536  -1.576
   64    H    ASP   9           HN       ASP   9  -4.517  -9.051  -1.798
   65    HA   ASP   9           HA       ASP   9  -3.306  -8.406  -4.265
   66    HB2  ASP   9           HB2      ASP   9  -5.739  -8.087  -3.781
   67    HB3  ASP   9           HB1      ASP   9  -5.313  -6.707  -2.771
   68    H    LEU  10           HN       LEU  10  -3.390  -6.765  -1.178
   69    HA   LEU  10           HA       LEU  10  -1.905  -4.488  -1.768
   70    HB2  LEU  10           HB2      LEU  10  -3.082  -4.788   0.345
   71    HB3  LEU  10           HB1      LEU  10  -2.022  -6.114   0.773
   72    HG   LEU  10           HG       LEU  10  -0.124  -4.520   0.859
   73   HD11  LEU  10          HD11      LEU  10  -2.265  -2.448   0.510
   74   HD12  LEU  10          HD12      LEU  10  -0.974  -2.833  -0.640
   75   HD13  LEU  10          HD13      LEU  10  -0.579  -2.138   0.939
   76   HD21  LEU  10          HD21      LEU  10  -1.297  -5.152   2.878
   77   HD22  LEU  10          HD22      LEU  10  -2.466  -3.855   2.627
   78   HD23  LEU  10          HD23      LEU  10  -0.778  -3.469   2.960
   79    H    ARG  11           HN       ARG  11  -0.814  -7.615  -0.496
   80    HA   ARG  11           HA       ARG  11   1.917  -7.253  -0.323
   81    HB2  ARG  11           HB2      ARG  11   0.807  -9.268   0.473
   82    HB3  ARG  11           HB1      ARG  11   0.384  -9.707  -1.173
   83    HG2  ARG  11           HG2      ARG  11   2.757 -10.006  -1.706
   84    HG3  ARG  11           HG1      ARG  11   3.182  -9.554  -0.057
   85    HD2  ARG  11           HD2      ARG  11   3.198 -11.992  -0.379
   86    HD3  ARG  11           HD1      ARG  11   1.995 -11.490   0.807
   87    HE   ARG  11           HE       ARG  11   0.531 -11.611  -1.427
   88   HH11  ARG  11          HH11      ARG  11   2.905 -13.992  -0.218
   89   HH12  ARG  11          HH12      ARG  11   1.962 -15.327  -0.703
   90   HH21  ARG  11          HH21      ARG  11  -0.695 -13.477  -2.147
   91   HH22  ARG  11          HH22      ARG  11  -0.111 -15.024  -1.816
   92    H    ARG  12           HN       ARG  12   0.149  -8.542  -3.116
   93    HA   ARG  12           HA       ARG  12   2.479  -8.791  -4.638
   94    HB2  ARG  12           HB2      ARG  12  -0.420  -8.818  -5.465
   95    HB3  ARG  12           HB1      ARG  12   0.893  -9.076  -6.612
   96    HG2  ARG  12           HG2      ARG  12   0.500 -10.730  -4.125
   97    HG3  ARG  12           HG1      ARG  12  -0.114 -11.174  -5.722
   98    HD2  ARG  12           HD2      ARG  12   1.963 -11.571  -6.572
   99    HD3  ARG  12           HD1      ARG  12   2.815 -10.515  -5.471
  100    HE   ARG  12           HE       ARG  12   1.713 -13.152  -4.779
  101   HH11  ARG  12          HH11      ARG  12   4.237 -10.645  -4.506
  102   HH12  ARG  12          HH12      ARG  12   5.157 -11.548  -3.362
  103   HH21  ARG  12          HH21      ARG  12   3.096 -14.362  -3.240
  104   HH22  ARG  12          HH22      ARG  12   4.528 -13.615  -2.668
  105    H    ALA  13           HN       ALA  13   0.137  -6.173  -4.557
  106    HA   ALA  13           HA       ALA  13   1.339  -4.713  -6.669
  107    HB1  ALA  13           HB1      ALA  13  -0.336  -3.700  -4.374
  108    HB2  ALA  13           HB2      ALA  13  -0.954  -4.300  -5.912
  109    HB3  ALA  13           HB3      ALA  13   0.019  -2.829  -5.866
  110    H    LEU  14           HN       LEU  14   1.897  -4.882  -3.230
  111    HA   LEU  14           HA       LEU  14   3.568  -2.592  -3.038
  112    HB2  LEU  14           HB2      LEU  14   2.255  -3.828  -1.199
  113    HB3  LEU  14           HB1      LEU  14   3.565  -4.983  -1.201
  114    HG   LEU  14           HG       LEU  14   5.115  -3.099  -0.608
  115   HD11  LEU  14          HD11      LEU  14   3.739  -1.259  -1.408
  116   HD12  LEU  14          HD12      LEU  14   4.131  -1.064   0.300
  117   HD13  LEU  14          HD13      LEU  14   2.525  -1.619  -0.179
  118   HD21  LEU  14          HD21      LEU  14   4.434  -3.034   1.734
  119   HD22  LEU  14          HD22      LEU  14   4.283  -4.658   1.066
  120   HD23  LEU  14          HD23      LEU  14   2.846  -3.662   1.295
  121    H    VAL  15           HN       VAL  15   4.145  -6.083  -3.210
  122    HA   VAL  15           HA       VAL  15   6.959  -6.040  -3.056
  123    HB   VAL  15           HB       VAL  15   5.177  -8.133  -4.349
  124   HG11  VAL  15          HG11      VAL  15   8.046  -8.334  -3.454
  125   HG12  VAL  15          HG12      VAL  15   7.469  -8.344  -5.121
  126   HG13  VAL  15          HG13      VAL  15   7.053  -9.669  -4.038
  127   HG21  VAL  15          HG21      VAL  15   6.374  -8.017  -1.586
  128   HG22  VAL  15          HG22      VAL  15   5.452  -9.363  -2.254
  129   HG23  VAL  15          HG23      VAL  15   4.673  -7.799  -1.989
  130    H    GLU  16           HN       GLU  16   4.802  -6.125  -5.914
  131    HA   GLU  16           HA       GLU  16   6.911  -6.333  -7.757
  132    HB2  GLU  16           HB2      GLU  16   5.308  -5.759  -9.497
  133    HB3  GLU  16           HB1      GLU  16   4.610  -6.916  -8.378
  134    HG2  GLU  16           HG2      GLU  16   3.333  -5.138  -7.317
  135    HG3  GLU  16           HG1      GLU  16   4.073  -3.955  -8.397
  136    H    SER  17           HN       SER  17   5.404  -3.546  -6.278
  137    HA   SER  17           HA       SER  17   6.676  -1.712  -8.079
  138    HB2  SER  17           HB2      SER  17   4.383  -1.398  -7.090
  139    HB3  SER  17           HB1      SER  17   5.152  -1.140  -5.535
  140    HG   SER  17           HG       SER  17   5.080   0.470  -7.799
  141    H    ALA  18           HN       ALA  18   7.595  -3.344  -5.256
  142    HA   ALA  18           HA       ALA  18   9.236  -1.423  -3.968
  143    HB1  ALA  18           HB1      ALA  18   9.512  -4.427  -3.968
  144    HB2  ALA  18           HB2      ALA  18   8.495  -3.490  -2.876
  145    HB3  ALA  18           HB3      ALA  18  10.249  -3.318  -2.815
  146    H    GLY  19           HN       GLY  19   9.629  -3.041  -6.887
  147    HA2  GLY  19           HA2      GLY  19  12.166  -1.904  -7.369
  148    HA3  GLY  19           HA1      GLY  19  12.285  -3.644  -7.111
  149    H    GLU  20           HN       GLU  20  12.536  -4.505  -9.014
  150    HA   GLU  20           HA       GLU  20  10.685  -3.675 -11.126
  151    HB2  GLU  20           HB2      GLU  20  12.996  -3.294 -11.764
  152    HB3  GLU  20           HB1      GLU  20  13.412  -4.951 -11.351
  153    HG2  GLU  20           HG2      GLU  20  13.210  -4.511 -13.794
  154    HG3  GLU  20           HG1      GLU  20  12.176  -5.806 -13.197
  155    H    THR  21           HN       THR  21   8.998  -4.914 -10.550
  156    HA   THR  21           HA       THR  21   7.618  -6.703 -10.516
  157    HB   THR  21           HB       THR  21   9.698  -8.020 -12.277
  158    HG1  THR  21           HG1      THR  21   9.124  -5.980 -13.194
  159   HG21  THR  21          HG21      THR  21   6.692  -8.370 -12.084
  160   HG22  THR  21          HG22      THR  21   7.899  -9.516 -11.506
  161   HG23  THR  21          HG23      THR  21   7.745  -9.196 -13.231
  162    H    ASP  22           HN       ASP  22   7.934  -7.013  -8.375
  163    HA   ASP  22           HA       ASP  22   8.241  -8.136  -6.462
  164    HB2  ASP  22           HB2      ASP  22   9.439 -10.354  -8.167
  165    HB3  ASP  22           HB1      ASP  22   9.301 -10.453  -6.420
  166    H    GLY  23           HN       GLY  23   9.490  -6.378  -6.006
  167    HA2  GLY  23           HA2      GLY  23  12.359  -6.607  -6.363
  168    HA3  GLY  23           HA1      GLY  23  11.503  -5.254  -5.637
  169    H    THR  24           HN       THR  24  10.040  -6.619  -3.706
  170    HA   THR  24           HA       THR  24  11.911  -8.071  -2.032
  171    HB   THR  24           HB       THR  24  10.614  -5.460  -1.145
  172    HG1  THR  24           HG1      THR  24  12.948  -5.966  -2.431
  173   HG21  THR  24          HG21      THR  24  12.637  -7.254   0.226
  174   HG22  THR  24          HG22      THR  24  10.932  -7.114   0.657
  175   HG23  THR  24          HG23      THR  24  12.008  -5.732   0.865
  176    H    ASP  25           HN       ASP  25  10.480  -9.816  -1.881
  177    HA   ASP  25           HA       ASP  25   7.652  -9.397  -1.626
  178    HB2  ASP  25           HB2      ASP  25   8.639 -11.481  -2.639
  179    HB3  ASP  25           HB1      ASP  25   9.177 -11.949  -1.029
  180    H    LEU  26           HN       LEU  26   6.505  -9.066   0.138
  181    HA   LEU  26           HA       LEU  26   8.003  -8.806   2.612
  182    HB2  LEU  26           HB2      LEU  26   5.253  -7.798   1.919
  183    HB3  LEU  26           HB1      LEU  26   6.060  -7.529   3.443
  184    HG   LEU  26           HG       LEU  26   6.384  -5.548   2.400
  185   HD11  LEU  26          HD11      LEU  26   8.704  -5.407   1.633
  186   HD12  LEU  26          HD12      LEU  26   8.724  -7.189   1.627
  187   HD13  LEU  26          HD13      LEU  26   8.476  -6.316   3.140
  188   HD21  LEU  26          HD21      LEU  26   5.401  -6.095   0.252
  189   HD22  LEU  26          HD22      LEU  26   6.863  -6.965  -0.216
  190   HD23  LEU  26          HD23      LEU  26   6.913  -5.220   0.029
  191    H    SER  27           HN       SER  27   6.500 -11.304   1.381
  192    HA   SER  27           HA       SER  27   5.514 -13.148   2.098
  193    HB2  SER  27           HB2      SER  27   6.338 -12.193   4.852
  194    HB3  SER  27           HB1      SER  27   5.922 -13.847   4.375
  195    HG   SER  27           HG       SER  27   7.654 -13.538   2.747
  196    H    GLY  28           HN       GLY  28   3.940 -13.695   4.475
  197    HA2  GLY  28           HA2      GLY  28   1.478 -12.623   3.522
  198    HA3  GLY  28           HA1      GLY  28   1.698 -13.696   4.894
  199    H    ASP  29           HN       ASP  29   2.980 -12.405   6.762
  200    HA   ASP  29           HA       ASP  29   1.243 -10.089   7.178
  201    HB2  ASP  29           HB2      ASP  29   1.012 -11.746   8.946
  202    HB3  ASP  29           HB1      ASP  29   2.748 -11.713   9.242
  203    H    PHE  30           HN       PHE  30   2.173  -8.513   6.292
  204    HA   PHE  30           HA       PHE  30   4.842  -7.707   7.263
  205    HB2  PHE  30           HB2      PHE  30   5.067  -6.497   5.099
  206    HB3  PHE  30           HB1      PHE  30   4.986  -8.246   4.931
  207    HD1  PHE  30           HD2      PHE  30   3.057  -9.301   3.915
  208    HD2  PHE  30           HD1      PHE  30   3.277  -5.082   4.283
  209    HE1  PHE  30           HE2      PHE  30   1.207  -9.077   2.342
  210    HE2  PHE  30           HE1      PHE  30   1.421  -4.845   2.694
  211    HZ   PHE  30           HZ       PHE  30   0.379  -6.843   1.720
  212    H    LEU  31           HN       LEU  31   1.781  -7.155   7.765
  213    HA   LEU  31           HA       LEU  31   1.382  -4.410   7.129
  214    HB2  LEU  31           HB2      LEU  31  -0.080  -6.167   9.108
  215    HB3  LEU  31           HB1      LEU  31  -0.575  -4.556   8.659
  216    HG   LEU  31           HG       LEU  31  -1.993  -6.025   7.529
  217   HD11  LEU  31          HD11      LEU  31  -1.323  -4.198   6.176
  218   HD12  LEU  31          HD12      LEU  31  -1.579  -5.627   5.173
  219   HD13  LEU  31          HD13      LEU  31   0.060  -5.105   5.565
  220   HD21  LEU  31          HD21      LEU  31   0.396  -7.546   6.480
  221   HD22  LEU  31          HD22      LEU  31  -1.294  -7.879   6.107
  222   HD23  LEU  31          HD23      LEU  31  -0.695  -8.092   7.752
  223    H    ASP  32           HN       ASP  32   2.922  -6.044   9.635
  224    HA   ASP  32           HA       ASP  32   2.694  -3.907  11.593
  225    HB2  ASP  32           HB2      ASP  32   2.511  -6.391  12.093
  226    HB3  ASP  32           HB1      ASP  32   4.238  -6.490  11.795
  227    H    LEU  33           HN       LEU  33   4.664  -4.579   8.991
  228    HA   LEU  33           HA       LEU  33   7.182  -3.748  10.208
  229    HB2  LEU  33           HB2      LEU  33   6.523  -4.526   7.363
  230    HB3  LEU  33           HB1      LEU  33   8.124  -4.158   7.963
  231    HG   LEU  33           HG       LEU  33   6.431  -6.500   8.841
  232   HD11  LEU  33          HD11      LEU  33   8.855  -6.374   7.054
  233   HD12  LEU  33          HD12      LEU  33   7.206  -6.730   6.544
  234   HD13  LEU  33          HD13      LEU  33   8.060  -7.844   7.613
  235   HD21  LEU  33          HD21      LEU  33   8.472  -7.255   9.972
  236   HD22  LEU  33          HD22      LEU  33   7.925  -5.707  10.610
  237   HD23  LEU  33          HD23      LEU  33   9.289  -5.768   9.494
  238    H    ARG  34           HN       ARG  34   8.355  -1.950   9.362
  239    HA   ARG  34           HA       ARG  34   6.594   0.249   8.520
  240    HB2  ARG  34           HB2      ARG  34   9.489   0.355   9.335
  241    HB3  ARG  34           HB1      ARG  34   8.393   1.712   9.148
  242    HG2  ARG  34           HG2      ARG  34   7.118   0.971  11.058
  243    HG3  ARG  34           HG1      ARG  34   8.162  -0.448  11.218
  244    HD2  ARG  34           HD2      ARG  34  10.096   1.109  11.442
  245    HD3  ARG  34           HD1      ARG  34   8.940   2.439  11.503
  246    HE   ARG  34           HE       ARG  34   8.414   0.371  13.388
  247   HH11  ARG  34          HH11      ARG  34  10.235   3.360  12.827
  248   HH12  ARG  34          HH12      ARG  34  10.491   3.683  14.474
  249   HH21  ARG  34          HH21      ARG  34   8.801   0.791  15.662
  250   HH22  ARG  34          HH22      ARG  34   9.739   2.129  16.130
  251    H    PHE  35           HN       PHE  35   7.118   1.555   6.750
  252    HA   PHE  35           HA       PHE  35   8.307   0.221   4.545
  253    HB2  PHE  35           HB2      PHE  35   7.418   3.097   4.851
  254    HB3  PHE  35           HB1      PHE  35   8.015   2.412   3.344
  255    HD1  PHE  35           HD2      PHE  35   6.774   0.032   2.813
  256    HD2  PHE  35           HD1      PHE  35   5.157   3.289   5.005
  257    HE1  PHE  35           HE2      PHE  35   4.503  -0.751   2.289
  258    HE2  PHE  35           HE1      PHE  35   2.883   2.512   4.494
  259    HZ   PHE  35           HZ       PHE  35   2.569   0.500   3.057
  260    H    GLU  36           HN       GLU  36   9.473   2.563   6.855
  261    HA   GLU  36           HA       GLU  36  11.882   3.229   5.575
  262    HB2  GLU  36           HB2      GLU  36  12.721   3.912   7.812
  263    HB3  GLU  36           HB1      GLU  36  11.123   4.546   7.473
  264    HG2  GLU  36           HG2      GLU  36  10.130   2.828   8.901
  265    HG3  GLU  36           HG1      GLU  36  11.730   2.156   9.207
  266    H    ASP  37           HN       ASP  37  10.957   0.366   7.237
  267    HA   ASP  37           HA       ASP  37  13.648  -0.621   7.613
  268    HB2  ASP  37           HB2      ASP  37  10.942  -1.889   7.938
  269    HB3  ASP  37           HB1      ASP  37  12.412  -2.845   7.997
  270    H    ILE  38           HN       ILE  38  10.968  -1.245   5.444
  271    HA   ILE  38           HA       ILE  38  12.545  -3.207   4.050
  272    HB   ILE  38           HB       ILE  38  10.476  -3.577   2.663
  273   HG12  ILE  38          HG12      ILE  38   9.285  -1.664   4.702
  274   HG13  ILE  38          HG11      ILE  38   9.428  -1.372   2.976
  275   HG21  ILE  38          HG21      ILE  38  11.062  -4.986   4.540
  276   HG22  ILE  38          HG22      ILE  38   9.310  -4.753   4.489
  277   HG23  ILE  38          HG23      ILE  38  10.292  -3.857   5.654
  278   HD11  ILE  38          HD11      ILE  38   7.719  -3.488   4.273
  279   HD12  ILE  38          HD12      ILE  38   7.853  -3.193   2.539
  280   HD13  ILE  38          HD13      ILE  38   7.152  -1.963   3.591
  281    H    GLY  39           HN       GLY  39  13.209  -0.368   3.888
  282    HA2  GLY  39           HA2      GLY  39  14.224   1.025   2.359
  283    HA3  GLY  39           HA1      GLY  39  14.296  -0.378   1.313
  284    H    TYR  40           HN       TYR  40  11.407   1.337   2.483
  285    HA   TYR  40           HA       TYR  40  10.669   1.644  -0.292
  286    HB2  TYR  40           HB2      TYR  40   9.119   1.513   2.220
  287    HB3  TYR  40           HB1      TYR  40   8.460   2.467   0.901
  288    HD1  TYR  40           HD1      TYR  40  10.285  -0.798   1.038
  289    HD2  TYR  40           HD2      TYR  40   6.773   1.291  -0.127
  290    HE1  TYR  40           HE1      TYR  40   9.370  -2.866   0.053
  291    HE2  TYR  40           HE2      TYR  40   5.870  -0.751  -1.127
  292    HH   TYR  40           HH       TYR  40   7.184  -3.828  -0.606
  293    H    ASP  41           HN       ASP  41  11.664   3.338  -1.060
  294    HA   ASP  41           HA       ASP  41  11.414   5.935   0.149
  295    HB2  ASP  41           HB2      ASP  41  13.195   5.460  -1.542
  296    HB3  ASP  41           HB1      ASP  41  11.950   5.180  -2.755
  297    H    SER  42           HN       SER  42   9.896   7.554  -0.582
  298    HA   SER  42           HA       SER  42   7.309   6.682  -0.811
  299    HB2  SER  42           HB2      SER  42   6.954   9.086  -1.596
  300    HB3  SER  42           HB1      SER  42   7.640   8.830   0.016
  301    H    LEU  43           HN       LEU  43   9.655   7.309  -3.366
  302    HA   LEU  43           HA       LEU  43   8.055   7.586  -5.616
  303    HB2  LEU  43           HB2      LEU  43  10.605   7.558  -5.448
  304    HB3  LEU  43           HB1      LEU  43  10.515   5.821  -5.431
  305    HG   LEU  43           HG       LEU  43   9.700   7.593  -7.757
  306   HD11  LEU  43          HD11      LEU  43  12.079   7.666  -7.342
  307   HD12  LEU  43          HD12      LEU  43  11.733   6.763  -8.815
  308   HD13  LEU  43          HD13      LEU  43  12.150   5.904  -7.334
  309   HD21  LEU  43          HD21      LEU  43  10.035   4.584  -7.641
  310   HD22  LEU  43          HD22      LEU  43   9.673   5.532  -9.089
  311   HD23  LEU  43          HD23      LEU  43   8.499   5.440  -7.777
  312    H    ALA  44           HN       ALA  44   9.217   4.555  -4.184
  313    HA   ALA  44           HA       ALA  44   7.682   2.867  -5.888
  314    HB1  ALA  44           HB1      ALA  44   9.766   2.113  -4.830
  315    HB2  ALA  44           HB2      ALA  44   8.418   1.047  -4.441
  316    HB3  ALA  44           HB3      ALA  44   8.993   2.211  -3.245
  317    H    LEU  45           HN       LEU  45   7.228   4.216  -2.717
  318    HA   LEU  45           HA       LEU  45   5.004   2.667  -1.944
  319    HB2  LEU  45           HB2      LEU  45   6.398   3.923  -0.374
  320    HB3  LEU  45           HB1      LEU  45   5.835   5.428  -1.062
  321    HG   LEU  45           HG       LEU  45   3.583   4.999  -0.211
  322   HD11  LEU  45          HD11      LEU  45   4.789   2.484   0.939
  323   HD12  LEU  45          HD12      LEU  45   3.609   2.560  -0.369
  324   HD13  LEU  45          HD13      LEU  45   3.163   3.089   1.252
  325   HD21  LEU  45          HD21      LEU  45   5.190   6.170   1.207
  326   HD22  LEU  45          HD22      LEU  45   5.727   4.629   1.882
  327   HD23  LEU  45          HD23      LEU  45   4.079   5.193   2.165
  328    H    MET  46           HN       MET  46   5.226   5.815  -3.521
  329    HA   MET  46           HA       MET  46   2.421   6.332  -3.678
  330    HB2  MET  46           HB2      MET  46   4.647   7.364  -5.440
  331    HB3  MET  46           HB1      MET  46   3.023   8.021  -5.350
  332    HG2  MET  46           HG2      MET  46   4.990   7.940  -3.103
  333    HG3  MET  46           HG1      MET  46   4.717   9.314  -4.161
  334    HE1  MET  46           HE1      MET  46   4.357  10.798  -1.988
  335    HE2  MET  46           HE2      MET  46   4.617   9.385  -0.966
  336    HE3  MET  46           HE3      MET  46   3.207  10.408  -0.709
  337    H    GLU  47           HN       GLU  47   4.780   4.819  -5.725
  338    HA   GLU  47           HA       GLU  47   3.246   4.516  -8.058
  339    HB2  GLU  47           HB2      GLU  47   5.749   4.279  -7.448
  340    HB3  GLU  47           HB1      GLU  47   5.366   2.594  -7.140
  341    HG2  GLU  47           HG2      GLU  47   5.058   4.049  -9.770
  342    HG3  GLU  47           HG1      GLU  47   6.329   2.911  -9.365
  343    H    THR  48           HN       THR  48   3.750   2.492  -5.204
  344    HA   THR  48           HA       THR  48   2.098   0.317  -5.892
  345    HB   THR  48           HB       THR  48   2.675   1.456  -3.128
  346    HG1  THR  48           HG1      THR  48   4.569   0.798  -4.474
  347   HG21  THR  48          HG21      THR  48   2.209  -0.822  -2.339
  348   HG22  THR  48          HG22      THR  48   1.819  -1.316  -3.987
  349   HG23  THR  48          HG23      THR  48   0.803  -0.136  -3.156
  350    H    ALA  49           HN       ALA  49   1.449   3.137  -3.779
  351    HA   ALA  49           HA       ALA  49  -1.196   2.691  -3.180
  352    HB1  ALA  49           HB1      ALA  49   0.211   4.368  -2.075
  353    HB2  ALA  49           HB2      ALA  49  -1.328   5.049  -2.600
  354    HB3  ALA  49           HB3      ALA  49   0.140   5.372  -3.523
  355    H    ALA  50           HN       ALA  50   0.030   4.765  -5.813
  356    HA   ALA  50           HA       ALA  50  -2.384   5.664  -6.824
  357    HB1  ALA  50           HB1      ALA  50  -0.196   6.543  -7.505
  358    HB2  ALA  50           HB2      ALA  50  -1.205   6.142  -8.895
  359    HB3  ALA  50           HB3      ALA  50   0.110   5.065  -8.417
  360    H    ARG  51           HN       ARG  51  -0.695   2.695  -7.561
  361    HA   ARG  51           HA       ARG  51  -2.277   1.771  -9.693
  362    HB2  ARG  51           HB2      ARG  51  -0.212   0.708  -9.329
  363    HB3  ARG  51           HB1      ARG  51  -0.553   0.425  -7.636
  364    HG2  ARG  51           HG2      ARG  51  -2.139  -1.310  -8.216
  365    HG3  ARG  51           HG1      ARG  51  -1.920  -0.968  -9.933
  366    HD2  ARG  51           HD2      ARG  51   0.345  -1.771  -8.118
  367    HD3  ARG  51           HD1      ARG  51  -0.619  -2.937  -9.022
  368    HE   ARG  51           HE       ARG  51   0.193  -2.054 -11.025
  369   HH11  ARG  51          HH11      ARG  51   1.929  -0.698  -8.222
  370   HH12  ARG  51          HH12      ARG  51   3.221  -0.101  -9.176
  371   HH21  ARG  51          HH21      ARG  51   1.928  -1.317 -12.229
  372   HH22  ARG  51          HH22      ARG  51   3.242  -0.477 -11.532
  373    H    LEU  52           HN       LEU  52  -2.525   1.202  -6.223
  374    HA   LEU  52           HA       LEU  52  -4.804  -0.498  -6.421
  375    HB2  LEU  52           HB2      LEU  52  -3.663   1.000  -4.072
  376    HB3  LEU  52           HB1      LEU  52  -4.935  -0.202  -3.963
  377    HG   LEU  52           HG       LEU  52  -2.108  -0.700  -4.881
  378   HD11  LEU  52          HD11      LEU  52  -1.904  -1.989  -2.819
  379   HD12  LEU  52          HD12      LEU  52  -3.536  -1.504  -2.353
  380   HD13  LEU  52          HD13      LEU  52  -2.259  -0.292  -2.491
  381   HD21  LEU  52          HD21      LEU  52  -3.664  -2.148  -6.046
  382   HD22  LEU  52          HD22      LEU  52  -4.441  -2.584  -4.535
  383   HD23  LEU  52          HD23      LEU  52  -2.772  -3.081  -4.841
  384    H    GLU  53           HN       GLU  53  -4.313   2.888  -5.644
  385    HA   GLU  53           HA       GLU  53  -6.930   3.538  -5.015
  386    HB2  GLU  53           HB2      GLU  53  -4.892   5.301  -6.341
  387    HB3  GLU  53           HB1      GLU  53  -6.390   5.793  -5.578
  388    HG2  GLU  53           HG2      GLU  53  -5.597   5.141  -3.432
  389    HG3  GLU  53           HG1      GLU  53  -4.099   4.519  -4.143
  390    H    SER  54           HN       SER  54  -5.212   3.765  -8.109
  391    HA   SER  54           HA       SER  54  -7.381   4.939  -9.452
  392    HB2  SER  54           HB2      SER  54  -4.929   5.140 -10.055
  393    HB3  SER  54           HB1      SER  54  -5.040   3.515 -10.725
  394    HG   SER  54           HG       SER  54  -6.607   5.749 -11.476
  395    H    ARG  55           HN       ARG  55  -6.393   1.588  -8.977
  396    HA   ARG  55           HA       ARG  55  -7.962   0.465 -11.033
  397    HB2  ARG  55           HB2      ARG  55  -6.187  -0.789  -9.791
  398    HB3  ARG  55           HB1      ARG  55  -7.244  -0.832  -8.387
  399    HG2  ARG  55           HG2      ARG  55  -8.938  -2.010  -9.883
  400    HG3  ARG  55           HG1      ARG  55  -7.623  -2.195 -11.040
  401    HD2  ARG  55           HD2      ARG  55  -7.645  -3.224  -8.203
  402    HD3  ARG  55           HD1      ARG  55  -7.936  -4.188  -9.643
  403    HE   ARG  55           HE       ARG  55  -5.569  -3.416 -10.247
  404   HH11  ARG  55          HH11      ARG  55  -6.677  -4.038  -6.921
  405   HH12  ARG  55          HH12      ARG  55  -5.232  -4.675  -6.350
  406   HH21  ARG  55          HH21      ARG  55  -3.513  -4.347  -9.505
  407   HH22  ARG  55          HH22      ARG  55  -3.342  -4.851  -7.893
  408    H    TYR  56           HN       TYR  56  -8.715   1.340  -7.713
  409    HA   TYR  56           HA       TYR  56 -11.421   0.252  -8.053
  410    HB2  TYR  56           HB2      TYR  56  -9.919   1.015  -5.555
  411    HB3  TYR  56           HB1      TYR  56 -11.607   0.505  -5.572
  412    HD1  TYR  56           HD2      TYR  56  -8.143  -0.568  -6.174
  413    HD2  TYR  56           HD1      TYR  56 -12.196  -1.790  -5.870
  414    HE1  TYR  56           HE2      TYR  56  -7.419  -2.910  -6.026
  415    HE2  TYR  56           HE1      TYR  56 -11.498  -4.125  -5.727
  416    HH   TYR  56           HH       TYR  56  -8.189  -5.036  -5.260
  417    H    GLY  57           HN       GLY  57  -9.801   3.232  -7.893
  418    HA2  GLY  57           HA2      GLY  57 -10.753   5.279  -8.448
  419    HA3  GLY  57           HA1      GLY  57 -12.350   4.593  -8.173
  420    H    VAL  58           HN       VAL  58  -9.512   4.737  -6.063
  421    HA   VAL  58           HA       VAL  58 -11.145   6.312  -4.216
  422    HB   VAL  58           HB       VAL  58  -9.965   5.391  -2.281
  423   HG11  VAL  58          HG11      VAL  58 -10.750   3.099  -2.341
  424   HG12  VAL  58          HG12      VAL  58 -10.902   3.212  -4.093
  425   HG13  VAL  58          HG13      VAL  58 -11.939   4.204  -3.055
  426   HG21  VAL  58          HG21      VAL  58  -8.360   3.586  -2.443
  427   HG22  VAL  58          HG22      VAL  58  -7.781   4.971  -3.381
  428   HG23  VAL  58          HG23      VAL  58  -8.534   3.586  -4.193
  429    H    SER  59           HN       SER  59  -9.484   7.492  -2.523
  430    HA   SER  59           HA       SER  59  -7.281   8.560  -4.084
  431    HB2  SER  59           HB2      SER  59  -9.539  10.306  -3.084
  432    HB3  SER  59           HB1      SER  59  -8.074  10.862  -3.894
  433    HG   SER  59           HG       SER  59  -8.965   9.093  -5.478
  434    H    ILE  60           HN       ILE  60  -5.695   8.237  -2.688
  435    HA   ILE  60           HA       ILE  60  -5.921   9.222   0.083
  436    HB   ILE  60           HB       ILE  60  -4.002   7.181  -1.138
  437   HG12  ILE  60          HG12      ILE  60  -6.166   6.864   0.957
  438   HG13  ILE  60          HG11      ILE  60  -6.276   6.349  -0.720
  439   HG21  ILE  60          HG21      ILE  60  -2.802   8.522   0.561
  440   HG22  ILE  60          HG22      ILE  60  -3.004   6.881   1.121
  441   HG23  ILE  60          HG23      ILE  60  -4.049   8.152   1.747
  442   HD11  ILE  60          HD11      ILE  60  -4.484   4.744  -0.338
  443   HD12  ILE  60          HD12      ILE  60  -5.853   4.500   0.751
  444   HD13  ILE  60          HD13      ILE  60  -4.378   5.268   1.347
  445    HA   PRO  61           HA       PRO  61  -3.646  12.691  -1.756
  446    HB2  PRO  61           HB2      PRO  61  -3.291  13.228   1.165
  447    HB3  PRO  61           HB1      PRO  61  -3.803  14.324  -0.127
  448    HG2  PRO  61           HG2      PRO  61  -5.588  13.350   1.575
  449    HG3  PRO  61           HG1      PRO  61  -5.973  13.503  -0.149
  450    HD2  PRO  61           HD2      PRO  61  -5.291  11.069   1.433
  451    HD3  PRO  61           HD1      PRO  61  -6.440  11.262   0.093
  452    H    ASP  62           HN       ASP  62  -1.527  12.892  -2.217
  453    HA   ASP  62           HA       ASP  62   0.334  10.936  -1.526
  454    HB2  ASP  62           HB2      ASP  62   2.074  12.274  -2.600
  455    HB3  ASP  62           HB1      ASP  62   0.602  12.320  -3.551
  456    H    ASP  63           HN       ASP  63  -0.298  13.970   0.070
  457    HA   ASP  63           HA       ASP  63   1.944  14.074   1.773
  458    HB2  ASP  63           HB2      ASP  63   0.359  15.940   1.560
  459    HB3  ASP  63           HB1      ASP  63  -0.901  14.970   2.311
  460    H    VAL  64           HN       VAL  64  -1.051  12.314   1.969
  461    HA   VAL  64           HA       VAL  64  -0.533  11.287   4.639
  462    HB   VAL  64           HB       VAL  64  -2.761  10.578   2.699
  463   HG11  VAL  64          HG11      VAL  64  -3.958   9.777   4.683
  464   HG12  VAL  64          HG12      VAL  64  -2.547  10.138   5.677
  465   HG13  VAL  64          HG13      VAL  64  -2.452   8.895   4.428
  466   HG21  VAL  64          HG21      VAL  64  -2.818  12.947   3.217
  467   HG22  VAL  64          HG22      VAL  64  -2.752  12.587   4.943
  468   HG23  VAL  64          HG23      VAL  64  -4.162  12.114   3.996
  469    H    ALA  65           HN       ALA  65  -0.539  10.225   1.297
  470    HA   ALA  65           HA       ALA  65  -0.064   7.496   1.691
  471    HB1  ALA  65           HB1      ALA  65   0.706   7.457  -0.621
  472    HB2  ALA  65           HB2      ALA  65   0.857   9.208  -0.613
  473    HB3  ALA  65           HB3      ALA  65  -0.741   8.460  -0.472
  474    H    GLY  66           HN       GLY  66   2.119  10.248   1.642
  475    HA2  GLY  66           HA2      GLY  66   4.409   8.487   1.975
  476    HA3  GLY  66           HA1      GLY  66   4.458  10.239   1.841
  477    H    ARG  67           HN       ARG  67   2.066   9.358   3.948
  478    HA   ARG  67           HA       ARG  67   3.772   9.938   6.266
  479    HB2  ARG  67           HB2      ARG  67   1.911  11.511   5.816
  480    HB3  ARG  67           HB1      ARG  67   0.771  10.189   5.958
  481    HG2  ARG  67           HG2      ARG  67   0.779  11.542   7.956
  482    HG3  ARG  67           HG1      ARG  67   1.383   9.923   8.310
  483    HD2  ARG  67           HD2      ARG  67   3.677  10.760   8.231
  484    HD3  ARG  67           HD1      ARG  67   3.077  12.377   7.854
  485    HE   ARG  67           HE       ARG  67   1.797  11.756  10.135
  486   HH11  ARG  67          HH11      ARG  67   5.256  11.764   9.271
  487   HH12  ARG  67          HH12      ARG  67   5.762  12.118  10.863
  488   HH21  ARG  67          HH21      ARG  67   2.544  12.256  12.283
  489   HH22  ARG  67          HH22      ARG  67   4.208  12.427  12.610
  490    H    VAL  68           HN       VAL  68   1.657   7.568   4.856
  491    HA   VAL  68           HA       VAL  68   1.170   6.031   7.153
  492    HB   VAL  68           HB       VAL  68   0.684   4.116   5.553
  493   HG11  VAL  68          HG11      VAL  68  -0.643   6.758   5.017
  494   HG12  VAL  68          HG12      VAL  68  -1.040   5.618   6.303
  495   HG13  VAL  68          HG13      VAL  68  -1.314   5.176   4.617
  496   HG21  VAL  68          HG21      VAL  68   1.336   6.200   3.444
  497   HG22  VAL  68          HG22      VAL  68   0.434   4.757   3.129
  498   HG23  VAL  68          HG23      VAL  68   2.130   4.626   3.626
  499    H    ASP  69           HN       ASP  69   2.432   4.830   8.334
  500    HA   ASP  69           HA       ASP  69   5.213   4.526   7.542
  501    HB2  ASP  69           HB2      ASP  69   3.821   4.045  10.176
  502    HB3  ASP  69           HB1      ASP  69   5.533   3.772   9.902
  503    H    THR  70           HN       THR  70   2.474   2.588   8.454
  504    HA   THR  70           HA       THR  70   4.006   0.193   7.716
  505    HB   THR  70           HB       THR  70   2.333  -1.069   9.097
  506    HG1  THR  70           HG1      THR  70   1.483   1.582   9.694
  507   HG21  THR  70          HG21      THR  70   3.202  -0.384  11.288
  508   HG22  THR  70          HG22      THR  70   3.783   1.125  10.580
  509   HG23  THR  70          HG23      THR  70   4.489  -0.415  10.077
  510    HA   PRO  71           HA       PRO  71   1.287  -0.456   4.239
  511    HB2  PRO  71           HB2      PRO  71   1.246  -3.317   5.048
  512    HB3  PRO  71           HB1      PRO  71   1.718  -2.598   3.502
  513    HG2  PRO  71           HG2      PRO  71   3.567  -3.547   5.156
  514    HG3  PRO  71           HG1      PRO  71   3.842  -2.038   4.262
  515    HD2  PRO  71           HD2      PRO  71   3.064  -2.440   7.121
  516    HD3  PRO  71           HD1      PRO  71   4.224  -1.292   6.420
  517    H    ARG  72           HN       ARG  72   0.575  -1.699   7.379
  518    HA   ARG  72           HA       ARG  72  -2.080  -2.546   7.138
  519    HB2  ARG  72           HB2      ARG  72  -0.681  -2.892   9.137
  520    HB3  ARG  72           HB1      ARG  72  -0.709  -1.168   9.456
  521    HG2  ARG  72           HG2      ARG  72  -3.164  -1.313   9.756
  522    HG3  ARG  72           HG1      ARG  72  -3.048  -3.064   9.559
  523    HD2  ARG  72           HD2      ARG  72  -1.661  -1.425  11.677
  524    HD3  ARG  72           HD1      ARG  72  -3.100  -2.408  11.920
  525    HE   ARG  72           HE       ARG  72  -1.692  -4.342  11.285
  526   HH11  ARG  72          HH11      ARG  72  -0.053  -1.418  12.491
  527   HH12  ARG  72          HH12      ARG  72   1.210  -2.258  13.268
  528   HH21  ARG  72          HH21      ARG  72   0.077  -5.503  12.363
  529   HH22  ARG  72          HH22      ARG  72   1.268  -4.631  13.219
  530    H    GLU  73           HN       GLU  73  -0.685   0.623   7.858
  531    HA   GLU  73           HA       GLU  73  -3.105   2.009   8.209
  532    HB2  GLU  73           HB2      GLU  73  -0.357   2.978   7.457
  533    HB3  GLU  73           HB1      GLU  73  -1.683   4.031   7.919
  534    HG2  GLU  73           HG2      GLU  73  -1.737   3.152  10.109
  535    HG3  GLU  73           HG1      GLU  73  -0.637   1.843   9.675
  536    H    LEU  74           HN       LEU  74  -1.041   1.523   5.389
  537    HA   LEU  74           HA       LEU  74  -2.403   3.272   3.607
  538    HB2  LEU  74           HB2      LEU  74  -0.085   1.964   3.368
  539    HB3  LEU  74           HB1      LEU  74  -1.128   0.728   2.690
  540    HG   LEU  74           HG       LEU  74  -0.879   3.499   1.520
  541   HD11  LEU  74          HD11      LEU  74   0.496   2.443  -0.199
  542   HD12  LEU  74          HD12      LEU  74   0.455   0.930   0.708
  543   HD13  LEU  74          HD13      LEU  74   1.243   2.350   1.396
  544   HD21  LEU  74          HD21      LEU  74  -1.914   2.483  -0.463
  545   HD22  LEU  74          HD22      LEU  74  -2.975   2.342   0.938
  546   HD23  LEU  74          HD23      LEU  74  -2.048   0.947   0.389
  547    H    LEU  75           HN       LEU  75  -2.673  -0.203   4.265
  548    HA   LEU  75           HA       LEU  75  -4.727  -0.717   2.425
  549    HB2  LEU  75           HB2      LEU  75  -3.268  -2.451   3.391
  550    HB3  LEU  75           HB1      LEU  75  -4.014  -2.199   4.955
  551    HG   LEU  75           HG       LEU  75  -6.172  -2.997   4.043
  552   HD11  LEU  75          HD11      LEU  75  -5.854  -2.318   1.748
  553   HD12  LEU  75          HD12      LEU  75  -6.253  -4.028   1.864
  554   HD13  LEU  75          HD13      LEU  75  -4.587  -3.532   1.551
  555   HD21  LEU  75          HD21      LEU  75  -4.644  -4.580   5.122
  556   HD22  LEU  75          HD22      LEU  75  -3.861  -4.880   3.569
  557   HD23  LEU  75          HD23      LEU  75  -5.547  -5.346   3.815
  558    H    ASP  76           HN       ASP  76  -4.683   0.283   5.760
  559    HA   ASP  76           HA       ASP  76  -7.401  -0.146   6.381
  560    HB2  ASP  76           HB2      ASP  76  -5.669   0.149   8.089
  561    HB3  ASP  76           HB1      ASP  76  -5.431   1.808   7.562
  562    H    LEU  77           HN       LEU  77  -5.608   2.615   5.183
  563    HA   LEU  77           HA       LEU  77  -7.696   4.479   5.135
  564    HB2  LEU  77           HB2      LEU  77  -5.300   4.204   3.335
  565    HB3  LEU  77           HB1      LEU  77  -6.369   5.583   3.337
  566    HG   LEU  77           HG       LEU  77  -4.521   4.727   5.583
  567   HD11  LEU  77          HD11      LEU  77  -3.390   5.741   3.710
  568   HD12  LEU  77          HD12      LEU  77  -3.393   6.808   5.105
  569   HD13  LEU  77          HD13      LEU  77  -4.501   7.107   3.764
  570   HD21  LEU  77          HD21      LEU  77  -6.619   5.656   6.476
  571   HD22  LEU  77          HD22      LEU  77  -6.427   7.072   5.444
  572   HD23  LEU  77          HD23      LEU  77  -5.262   6.753   6.729
  573    H    ILE  78           HN       ILE  78  -6.670   2.043   2.817
  574    HA   ILE  78           HA       ILE  78  -8.659   2.817   0.917
  575    HB   ILE  78           HB       ILE  78  -6.858   0.372   0.976
  576   HG12  ILE  78          HG12      ILE  78  -6.831   2.919  -0.641
  577   HG13  ILE  78          HG11      ILE  78  -5.662   2.422   0.571
  578   HG21  ILE  78          HG21      ILE  78  -8.926  -0.176  -0.208
  579   HG22  ILE  78          HG22      ILE  78  -7.571  -0.053  -1.329
  580   HG23  ILE  78          HG23      ILE  78  -8.742   1.261  -1.212
  581   HD11  ILE  78          HD11      ILE  78  -4.872   2.166  -1.750
  582   HD12  ILE  78          HD12      ILE  78  -6.180   0.994  -2.001
  583   HD13  ILE  78          HD13      ILE  78  -4.888   0.649  -0.831
  584    H    ASN  79           HN       ASN  79  -8.436   0.464   3.475
  585    HA   ASN  79           HA       ASN  79 -10.754  -1.016   2.912
  586    HB2  ASN  79           HB2      ASN  79  -9.480  -0.300   5.565
  587    HB3  ASN  79           HB1      ASN  79 -10.892  -1.332   5.446
  588   HD21  ASN  79          HD21      ASN  79 -10.028  -2.826   3.122
  589   HD22  ASN  79          HD22      ASN  79  -8.698  -3.795   3.633
  590    H    GLY  80           HN       GLY  80 -10.354   1.975   4.755
  591    HA2  GLY  80           HA2      GLY  80 -13.107   2.294   5.331
  592    HA3  GLY  80           HA1      GLY  80 -11.888   3.556   5.382
  593    H    ALA  81           HN       ALA  81 -11.127   3.194   2.617
  594    HA   ALA  81           HA       ALA  81 -13.012   4.986   1.421
  595    HB1  ALA  81           HB1      ALA  81 -10.611   3.599   0.213
  596    HB2  ALA  81           HB2      ALA  81 -10.592   5.162   1.013
  597    HB3  ALA  81           HB3      ALA  81 -11.485   4.955  -0.494
  598    H    LEU  82           HN       LEU  82 -12.075   1.645   0.924
  599    HA   LEU  82           HA       LEU  82 -13.911   1.247  -1.235
  600    HB2  LEU  82           HB2      LEU  82 -12.096  -0.623   0.248
  601    HB3  LEU  82           HB1      LEU  82 -13.223  -1.183  -0.963
  602    HG   LEU  82           HG       LEU  82 -10.816   0.630  -1.420
  603   HD11  LEU  82          HD11      LEU  82 -11.497  -2.122  -2.397
  604   HD12  LEU  82          HD12      LEU  82 -10.315  -1.715  -1.153
  605   HD13  LEU  82          HD13      LEU  82 -10.066  -1.176  -2.813
  606   HD21  LEU  82          HD21      LEU  82 -12.938  -0.293  -3.357
  607   HD22  LEU  82          HD22      LEU  82 -11.482   0.619  -3.752
  608   HD23  LEU  82          HD23      LEU  82 -12.747   1.357  -2.767
  609    H    ALA  83           HN       ALA  83 -14.375   1.396   2.027
  610    HA   ALA  83           HA       ALA  83 -16.071  -0.765   2.545
  611    HB1  ALA  83           HB1      ALA  83 -15.127   0.667   4.285
  612    HB2  ALA  83           HB2      ALA  83 -16.881   0.523   4.435
  613    HB3  ALA  83           HB3      ALA  83 -16.170   1.989   3.756
  614    H    GLU  84           HN       GLU  84 -16.652   2.196   0.847
  615    HA   GLU  84           HA       GLU  84 -19.517   1.570   0.658
  616    HB2  GLU  84           HB2      GLU  84 -19.808   3.875  -0.131
  617    HB3  GLU  84           HB1      GLU  84 -19.004   3.844   1.430
  618    HG2  GLU  84           HG2      GLU  84 -16.854   4.226   0.338
  619    HG3  GLU  84           HG1      GLU  84 -17.651   4.237  -1.234
  620    H    ALA  85           HN       ALA  85 -16.995   0.515  -0.864
  621    HA   ALA  85           HA       ALA  85 -18.040   1.008  -3.556
  622    HB1  ALA  85           HB1      ALA  85 -15.931   2.200  -3.233
  623    HB2  ALA  85           HB2      ALA  85 -15.750   0.890  -4.400
  624    HB3  ALA  85           HB3      ALA  85 -15.146   0.697  -2.754
  625    H    ALA  86           HN       ALA  86 -17.328  -0.744  -5.087
  626    HA   ALA  86           HA       ALA  86 -16.612  -3.279  -4.063
  627    HB1  ALA  86           HB1      ALA  86 -18.985  -3.277  -3.391
  628    HB2  ALA  86           HB2      ALA  86 -18.703  -4.434  -4.693
  629    HB3  ALA  86           HB3      ALA  86 -19.457  -2.881  -5.045
  630    H28  SXM  87          H28A      SXM  87   8.076  13.434  -0.706
  631   H28A  SXM  87          H28B      SXM  87   8.948  13.425  -2.242
  632    H30  SXM  87          H30A      SXM  87   5.505  12.418  -1.329
  633   H30A  SXM  87          H30B      SXM  87   4.745  13.876  -1.972
  634   H30B  SXM  87          H30C      SXM  87   5.821  13.981  -0.579
  635    H31  SXM  87          H31C      SXM  87   7.145  15.689  -1.736
  636   H31A  SXM  87          H31A      SXM  87   6.134  15.581  -3.178
  637   H31B  SXM  87          H31B      SXM  87   7.877  15.341  -3.303
  638    H32  SXM  87          H32A      SXM  87   5.766  13.477  -4.349
  639   HO33  SXM  87          H33A      SXM  87   6.720  11.301  -2.941
  640   HN36  SXM  87          H36A      SXM  87   6.955  11.214  -5.420
  641    H37  SXM  87          H37B      SXM  87   9.653  11.091  -6.032
  642   H37A  SXM  87          H37A      SXM  87   8.977  12.293  -7.137
  643    H38  SXM  87          H38A      SXM  87   8.066   9.426  -6.871
  644   H38A  SXM  87          H38B      SXM  87   7.309  10.640  -7.877
  645   HN41  SXM  87          H41A      SXM  87  10.762  10.794  -7.707
  646    H42  SXM  87          H42A      SXM  87  11.375   9.044  -9.906
  647   H42A  SXM  87          H42B      SXM  87  11.380  10.754 -10.321
  648    H43  SXM  87          H43A      SXM  87  13.061   9.444  -8.189
  649   H43A  SXM  87          H43B      SXM  87  12.959  11.181  -8.492
  650    H2   SXM  87           H2A      SXM  87  16.587  10.415 -10.953
  651    H2A  SXM  87           H2B      SXM  87  17.570  10.107  -9.524
  Start of MODEL    3
    1    H1   MET   1           HT1      MET   1 -16.925  -4.292  -6.717
    2    H2   MET   1           HT2      MET   1 -17.396  -4.896  -5.229
    3    H3   MET   1           HT3      MET   1 -17.414  -5.908  -6.583
    4    HA   MET   1           HA       MET   1 -15.495  -6.368  -5.181
    5    HB2  MET   1           HB2      MET   1 -15.092  -6.589  -7.566
    6    HB3  MET   1           HB1      MET   1 -14.798  -4.869  -7.721
    7    HG2  MET   1           HG2      MET   1 -12.728  -6.121  -7.835
    8    HG3  MET   1           HG1      MET   1 -12.753  -5.085  -6.414
    9    HE1  MET   1           HE1      MET   1 -14.547  -8.579  -6.946
   10    HE2  MET   1           HE2      MET   1 -13.332  -9.678  -6.292
   11    HE3  MET   1           HE3      MET   1 -12.998  -8.771  -7.768
   12    H    ALA   2           HN       ALA   2 -16.017  -2.933  -5.772
   13    HA   ALA   2           HA       ALA   2 -13.677  -2.099  -4.396
   14    HB1  ALA   2           HB1      ALA   2 -14.690  -0.770  -6.193
   15    HB2  ALA   2           HB2      ALA   2 -14.544   0.144  -4.690
   16    HB3  ALA   2           HB3      ALA   2 -16.109  -0.505  -5.179
   17    H    THR   3           HN       THR   3 -14.280  -3.557  -2.545
   18    HA   THR   3           HA       THR   3 -15.170  -1.844  -0.370
   19    HB   THR   3           HB       THR   3 -16.157  -4.637  -0.683
   20    HG1  THR   3           HG1      THR   3 -17.488  -2.161  -1.238
   21   HG21  THR   3          HG21      THR   3 -16.034  -3.846   1.607
   22   HG22  THR   3          HG22      THR   3 -17.725  -4.011   1.134
   23   HG23  THR   3          HG23      THR   3 -16.975  -2.414   1.189
   24    H    LEU   4           HN       LEU   4 -13.230  -1.876   0.702
   25    HA   LEU   4           HA       LEU   4 -11.330  -2.465   1.609
   26    HB2  LEU   4           HB2      LEU   4 -12.888  -4.966   2.140
   27    HB3  LEU   4           HB1      LEU   4 -11.287  -4.743   2.799
   28    HG   LEU   4           HG       LEU   4 -12.247  -2.609   3.846
   29   HD11  LEU   4          HD11      LEU   4 -14.260  -2.493   2.616
   30   HD12  LEU   4          HD12      LEU   4 -14.633  -2.718   4.342
   31   HD13  LEU   4          HD13      LEU   4 -14.735  -4.083   3.209
   32   HD21  LEU   4          HD21      LEU   4 -13.080  -3.872   5.781
   33   HD22  LEU   4          HD22      LEU   4 -11.594  -4.563   5.130
   34   HD23  LEU   4          HD23      LEU   4 -13.147  -5.326   4.786
   35    H    LEU   5           HN       LEU   5  -9.400  -3.950   1.638
   36    HA   LEU   5           HA       LEU   5  -9.137  -5.439  -0.853
   37    HB2  LEU   5           HB2      LEU   5  -7.165  -3.417   0.257
   38    HB3  LEU   5           HB1      LEU   5  -6.713  -4.675  -0.876
   39    HG   LEU   5           HG       LEU   5  -8.641  -2.433  -1.310
   40   HD11  LEU   5          HD11      LEU   5  -6.966  -1.724  -2.981
   41   HD12  LEU   5          HD12      LEU   5  -5.938  -3.078  -2.513
   42   HD13  LEU   5          HD13      LEU   5  -6.274  -1.785  -1.360
   43   HD21  LEU   5          HD21      LEU   5  -9.404  -4.434  -2.432
   44   HD22  LEU   5          HD22      LEU   5  -7.807  -4.666  -3.143
   45   HD23  LEU   5          HD23      LEU   5  -8.788  -3.272  -3.607
   46    H    THR   6           HN       THR   6  -7.883  -7.232  -0.743
   47    HA   THR   6           HA       THR   6  -7.482  -8.267   1.903
   48    HB   THR   6           HB       THR   6  -6.649 -10.313   0.655
   49    HG1  THR   6           HG1      THR   6  -7.695  -8.944  -1.606
   50   HG21  THR   6          HG21      THR   6  -8.973 -10.130   1.433
   51   HG22  THR   6          HG22      THR   6  -8.899 -10.968  -0.117
   52   HG23  THR   6          HG23      THR   6  -9.410  -9.281  -0.052
   53    H    THR   7           HN       THR   7  -5.337  -9.465   2.364
   54    HA   THR   7           HA       THR   7  -3.310  -7.536   2.135
   55    HB   THR   7           HB       THR   7  -1.986  -9.394   3.350
   56    HG1  THR   7           HG1      THR   7  -3.059 -11.190   3.748
   57   HG21  THR   7          HG21      THR   7  -4.509  -8.240   4.553
   58   HG22  THR   7          HG22      THR   7  -2.967  -7.403   4.406
   59   HG23  THR   7          HG23      THR   7  -3.104  -8.819   5.455
   60    H    ASP   8           HN       ASP   8  -4.021 -10.543   0.489
   61    HA   ASP   8           HA       ASP   8  -1.474 -10.820  -0.733
   62    HB2  ASP   8           HB2      ASP   8  -2.898 -12.726  -0.781
   63    HB3  ASP   8           HB1      ASP   8  -4.175 -11.835  -1.602
   64    H    ASP   9           HN       ASP   9  -4.385  -9.139  -1.735
   65    HA   ASP   9           HA       ASP   9  -3.507  -8.423  -4.335
   66    HB2  ASP   9           HB2      ASP   9  -5.888  -8.270  -3.421
   67    HB3  ASP   9           HB1      ASP   9  -5.383  -6.794  -2.604
   68    H    LEU  10           HN       LEU  10  -3.498  -6.721  -1.264
   69    HA   LEU  10           HA       LEU  10  -2.076  -4.421  -1.925
   70    HB2  LEU  10           HB2      LEU  10  -3.183  -4.766   0.225
   71    HB3  LEU  10           HB1      LEU  10  -2.052  -6.041   0.623
   72    HG   LEU  10           HG       LEU  10  -0.227  -4.324   0.587
   73   HD11  LEU  10          HD11      LEU  10  -1.308  -2.650  -0.778
   74   HD12  LEU  10          HD12      LEU  10  -0.857  -1.985   0.799
   75   HD13  LEU  10          HD13      LEU  10  -2.537  -2.416   0.468
   76   HD21  LEU  10          HD21      LEU  10  -0.798  -3.400   2.773
   77   HD22  LEU  10          HD22      LEU  10  -1.193  -5.115   2.662
   78   HD23  LEU  10          HD23      LEU  10  -2.471  -3.906   2.547
   79    H    ARG  11           HN       ARG  11  -0.911  -7.517  -0.679
   80    HA   ARG  11           HA       ARG  11   1.795  -7.109  -0.480
   81    HB2  ARG  11           HB2      ARG  11   0.780  -9.111   0.380
   82    HB3  ARG  11           HB1      ARG  11   0.297  -9.622  -1.229
   83    HG2  ARG  11           HG2      ARG  11   2.643  -9.926  -1.841
   84    HG3  ARG  11           HG1      ARG  11   3.130  -9.376  -0.240
   85    HD2  ARG  11           HD2      ARG  11   3.218 -11.787  -0.323
   86    HD3  ARG  11           HD1      ARG  11   1.927 -11.283   0.754
   87    HE   ARG  11           HE       ARG  11   0.596 -11.681  -1.543
   88   HH11  ARG  11          HH11      ARG  11   3.034 -13.732   0.050
   89   HH12  ARG  11          HH12      ARG  11   2.297 -15.199  -0.409
   90   HH21  ARG  11          HH21      ARG  11  -0.342 -13.669  -2.225
   91   HH22  ARG  11          HH22      ARG  11   0.366 -15.171  -1.825
   92    H    ARG  12           HN       ARG  12   0.095  -8.490  -3.271
   93    HA   ARG  12           HA       ARG  12   2.547  -8.747  -4.632
   94    HB2  ARG  12           HB2      ARG  12  -0.268  -9.167  -5.550
   95    HB3  ARG  12           HB1      ARG  12   1.139  -9.463  -6.568
   96    HG2  ARG  12           HG2      ARG  12   0.622 -10.782  -3.908
   97    HG3  ARG  12           HG1      ARG  12   0.317 -11.514  -5.486
   98    HD2  ARG  12           HD2      ARG  12   3.085 -10.657  -4.456
   99    HD3  ARG  12           HD1      ARG  12   2.443 -12.299  -4.579
  100    HE   ARG  12           HE       ARG  12   2.201 -11.477  -7.041
  101   HH11  ARG  12          HH11      ARG  12   4.925 -11.268  -4.740
  102   HH12  ARG  12          HH12      ARG  12   6.068 -11.144  -6.017
  103   HH21  ARG  12          HH21      ARG  12   3.902 -11.263  -8.707
  104   HH22  ARG  12          HH22      ARG  12   5.525 -11.136  -8.188
  105    H    ALA  13           HN       ALA  13   0.235  -6.186  -4.582
  106    HA   ALA  13           HA       ALA  13   1.332  -4.911  -6.906
  107    HB1  ALA  13           HB1      ALA  13  -0.931  -4.376  -6.103
  108    HB2  ALA  13           HB2      ALA  13   0.089  -2.934  -6.128
  109    HB3  ALA  13           HB3      ALA  13  -0.248  -3.751  -4.600
  110    H    LEU  14           HN       LEU  14   1.785  -4.749  -3.435
  111    HA   LEU  14           HA       LEU  14   3.575  -2.608  -3.264
  112    HB2  LEU  14           HB2      LEU  14   2.284  -3.608  -1.400
  113    HB3  LEU  14           HB1      LEU  14   3.313  -5.020  -1.476
  114    HG   LEU  14           HG       LEU  14   5.246  -3.587  -0.851
  115   HD11  LEU  14          HD11      LEU  14   3.123  -1.492  -0.417
  116   HD12  LEU  14          HD12      LEU  14   4.358  -1.471  -1.676
  117   HD13  LEU  14          HD13      LEU  14   4.830  -1.354   0.016
  118   HD21  LEU  14          HD21      LEU  14   2.900  -3.563   1.048
  119   HD22  LEU  14          HD22      LEU  14   4.590  -3.341   1.498
  120   HD23  LEU  14          HD23      LEU  14   4.052  -4.882   0.829
  121    H    VAL  15           HN       VAL  15   4.089  -6.078  -3.584
  122    HA   VAL  15           HA       VAL  15   6.885  -6.111  -3.337
  123    HB   VAL  15           HB       VAL  15   5.069  -8.068  -4.792
  124   HG11  VAL  15          HG11      VAL  15   7.943  -8.421  -3.933
  125   HG12  VAL  15          HG12      VAL  15   7.374  -8.285  -5.596
  126   HG13  VAL  15          HG13      VAL  15   6.903  -9.674  -4.614
  127   HG21  VAL  15          HG21      VAL  15   6.314  -8.143  -2.050
  128   HG22  VAL  15          HG22      VAL  15   5.338  -9.419  -2.778
  129   HG23  VAL  15          HG23      VAL  15   4.614  -7.851  -2.414
  130    H    GLU  16           HN       GLU  16   4.879  -5.768  -6.265
  131    HA   GLU  16           HA       GLU  16   7.043  -5.911  -8.068
  132    HB2  GLU  16           HB2      GLU  16   4.365  -4.561  -8.431
  133    HB3  GLU  16           HB1      GLU  16   5.533  -4.825  -9.715
  134    HG2  GLU  16           HG2      GLU  16   5.350  -7.266  -9.290
  135    HG3  GLU  16           HG1      GLU  16   4.057  -6.916  -8.143
  136    H    SER  17           HN       SER  17   5.495  -3.170  -6.481
  137    HA   SER  17           HA       SER  17   7.197  -1.308  -7.854
  138    HB2  SER  17           HB2      SER  17   4.819  -0.820  -7.367
  139    HB3  SER  17           HB1      SER  17   5.177  -0.849  -5.643
  140    HG   SER  17           HG       SER  17   5.761   1.124  -5.820
  141    H    ALA  18           HN       ALA  18   7.706  -3.322  -5.304
  142    HA   ALA  18           HA       ALA  18   9.032  -1.621  -3.435
  143    HB1  ALA  18           HB1      ALA  18   8.085  -3.789  -2.793
  144    HB2  ALA  18           HB2      ALA  18   9.790  -3.662  -2.364
  145    HB3  ALA  18           HB3      ALA  18   9.304  -4.606  -3.775
  146    H    GLY  19           HN       GLY  19   9.905  -2.515  -6.434
  147    HA2  GLY  19           HA2      GLY  19  12.392  -1.357  -6.443
  148    HA3  GLY  19           HA1      GLY  19  12.660  -3.080  -6.166
  149    H    GLU  20           HN       GLU  20  13.022  -4.150  -7.911
  150    HA   GLU  20           HA       GLU  20  11.485  -3.518 -10.328
  151    HB2  GLU  20           HB2      GLU  20  13.718  -2.568 -10.600
  152    HB3  GLU  20           HB1      GLU  20  14.450  -4.087 -10.124
  153    HG2  GLU  20           HG2      GLU  20  14.587  -3.718 -12.527
  154    HG3  GLU  20           HG1      GLU  20  13.633  -5.148 -12.139
  155    H    THR  21           HN       THR  21  10.359  -5.251 -10.917
  156    HA   THR  21           HA       THR  21   9.575  -7.353 -11.097
  157    HB   THR  21           HB       THR  21  12.482  -8.122 -11.380
  158    HG1  THR  21           HG1      THR  21  11.430  -6.202 -12.673
  159   HG21  THR  21          HG21      THR  21  10.877  -9.995 -11.379
  160   HG22  THR  21          HG22      THR  21  11.582  -9.780 -12.980
  161   HG23  THR  21          HG23      THR  21   9.949  -9.200 -12.650
  162    H    ASP  22           HN       ASP  22   8.910  -7.299  -8.942
  163    HA   ASP  22           HA       ASP  22   8.633  -7.916  -6.804
  164    HB2  ASP  22           HB2      ASP  22  10.287 -10.414  -7.517
  165    HB3  ASP  22           HB1      ASP  22   9.373 -10.143  -6.035
  166    H    GLY  23           HN       GLY  23   9.669  -6.163  -6.045
  167    HA2  GLY  23           HA2      GLY  23  12.473  -5.880  -5.795
  168    HA3  GLY  23           HA1      GLY  23  11.269  -4.937  -4.932
  169    H    THR  24           HN       THR  24  10.015  -6.777  -3.439
  170    HA   THR  24           HA       THR  24  11.715  -8.583  -2.164
  171    HB   THR  24           HB       THR  24  12.590  -6.466  -1.139
  172    HG1  THR  24           HG1      THR  24  12.618  -8.254   0.141
  173   HG21  THR  24          HG21      THR  24  10.586  -5.052  -1.299
  174   HG22  THR  24          HG22      THR  24  11.165  -5.117   0.366
  175   HG23  THR  24          HG23      THR  24   9.766  -6.070  -0.118
  176    H    ASP  25           HN       ASP  25  10.390 -10.035  -1.172
  177    HA   ASP  25           HA       ASP  25   7.573  -9.710  -1.713
  178    HB2  ASP  25           HB2      ASP  25   9.119 -12.006  -0.516
  179    HB3  ASP  25           HB1      ASP  25   7.381 -12.017  -0.770
  180    H    LEU  26           HN       LEU  26   6.087  -9.232  -0.325
  181    HA   LEU  26           HA       LEU  26   6.852  -9.129   2.479
  182    HB2  LEU  26           HB2      LEU  26   4.813  -7.443   1.007
  183    HB3  LEU  26           HB1      LEU  26   4.930  -7.505   2.745
  184    HG   LEU  26           HG       LEU  26   5.939  -5.515   2.120
  185   HD11  LEU  26          HD11      LEU  26   7.192  -6.637   3.797
  186   HD12  LEU  26          HD12      LEU  26   8.279  -5.722   2.753
  187   HD13  LEU  26          HD13      LEU  26   8.153  -7.472   2.577
  188   HD21  LEU  26          HD21      LEU  26   6.199  -5.883  -0.262
  189   HD22  LEU  26          HD22      LEU  26   7.534  -6.997   0.032
  190   HD23  LEU  26          HD23      LEU  26   7.709  -5.288   0.428
  191    H    SER  27           HN       SER  27   6.374 -11.422   2.284
  192    HA   SER  27           HA       SER  27   3.502 -11.955   2.386
  193    HB2  SER  27           HB2      SER  27   5.826 -13.871   2.129
  194    HB3  SER  27           HB1      SER  27   4.122 -14.320   2.096
  195    HG   SER  27           HG       SER  27   5.668 -13.499   0.091
  196    H    GLY  28           HN       GLY  28   2.712 -13.232   4.120
  197    HA2  GLY  28           HA2      GLY  28   2.778 -14.161   6.277
  198    HA3  GLY  28           HA1      GLY  28   4.431 -13.573   6.461
  199    H    ASP  29           HN       ASP  29   4.365 -12.253   8.186
  200    HA   ASP  29           HA       ASP  29   2.147 -10.383   8.325
  201    HB2  ASP  29           HB2      ASP  29   2.812  -9.853  10.606
  202    HB3  ASP  29           HB1      ASP  29   2.820 -11.597  10.442
  203    H    PHE  30           HN       PHE  30   2.401  -8.740   7.062
  204    HA   PHE  30           HA       PHE  30   5.011  -7.377   7.099
  205    HB2  PHE  30           HB2      PHE  30   4.804  -6.864   4.744
  206    HB3  PHE  30           HB1      PHE  30   4.706  -8.600   4.985
  207    HD1  PHE  30           HD2      PHE  30   2.425  -9.712   4.847
  208    HD2  PHE  30           HD1      PHE  30   3.088  -5.674   3.667
  209    HE1  PHE  30           HE2      PHE  30   0.344  -9.748   3.537
  210    HE2  PHE  30           HE1      PHE  30   1.010  -5.714   2.357
  211    HZ   PHE  30           HZ       PHE  30  -0.361  -7.754   2.292
  212    H    LEU  31           HN       LEU  31   1.808  -7.093   7.826
  213    HA   LEU  31           HA       LEU  31   1.245  -4.555   6.693
  214    HB2  LEU  31           HB2      LEU  31  -0.123  -6.105   8.869
  215    HB3  LEU  31           HB1      LEU  31  -0.654  -4.519   8.372
  216    HG   LEU  31           HG       LEU  31  -2.057  -6.138   7.362
  217   HD11  LEU  31          HD11      LEU  31  -1.563  -4.227   6.004
  218   HD12  LEU  31          HD12      LEU  31  -1.775  -5.657   4.994
  219   HD13  LEU  31          HD13      LEU  31  -0.155  -5.041   5.320
  220   HD21  LEU  31          HD21      LEU  31  -1.242  -7.873   5.840
  221   HD22  LEU  31          HD22      LEU  31  -0.615  -8.086   7.473
  222   HD23  LEU  31          HD23      LEU  31   0.420  -7.414   6.213
  223    H    ASP  32           HN       ASP  32   2.611  -5.572   9.711
  224    HA   ASP  32           HA       ASP  32   2.452  -2.801  10.649
  225    HB2  ASP  32           HB2      ASP  32   3.086  -5.327  12.186
  226    HB3  ASP  32           HB1      ASP  32   3.062  -3.707  12.873
  227    H    LEU  33           HN       LEU  33   4.470  -4.684   8.955
  228    HA   LEU  33           HA       LEU  33   6.967  -4.015  10.162
  229    HB2  LEU  33           HB2      LEU  33   6.429  -6.058   8.694
  230    HB3  LEU  33           HB1      LEU  33   6.324  -4.935   7.356
  231    HG   LEU  33           HG       LEU  33   8.600  -4.362   7.550
  232   HD11  LEU  33          HD11      LEU  33   8.697  -6.380   9.813
  233   HD12  LEU  33          HD12      LEU  33   8.911  -4.638   9.977
  234   HD13  LEU  33          HD13      LEU  33  10.102  -5.590   9.093
  235   HD21  LEU  33          HD21      LEU  33   8.088  -7.323   7.522
  236   HD22  LEU  33          HD22      LEU  33   9.537  -6.543   6.870
  237   HD23  LEU  33          HD23      LEU  33   7.952  -6.224   6.154
  238    H    ARG  34           HN       ARG  34   7.992  -2.073   9.776
  239    HA   ARG  34           HA       ARG  34   6.364  -0.064   8.554
  240    HB2  ARG  34           HB2      ARG  34   9.159   0.118   9.641
  241    HB3  ARG  34           HB1      ARG  34   8.101   1.467   9.254
  242    HG2  ARG  34           HG2      ARG  34   6.559   0.751  11.014
  243    HG3  ARG  34           HG1      ARG  34   7.649  -0.583  11.409
  244    HD2  ARG  34           HD2      ARG  34   7.975   1.330  12.901
  245    HD3  ARG  34           HD1      ARG  34   9.417   1.007  11.926
  246    HE   ARG  34           HE       ARG  34   7.483   2.957  10.979
  247   HH11  ARG  34          HH11      ARG  34  10.712   2.329  12.306
  248   HH12  ARG  34          HH12      ARG  34  11.299   3.900  11.981
  249   HH21  ARG  34          HH21      ARG  34   8.281   5.005  10.490
  250   HH22  ARG  34          HH22      ARG  34   9.879   5.496  10.886
  251    H    PHE  35           HN       PHE  35   6.897   1.224   6.781
  252    HA   PHE  35           HA       PHE  35   8.330  -0.038   4.706
  253    HB2  PHE  35           HB2      PHE  35   7.284   2.778   4.978
  254    HB3  PHE  35           HB1      PHE  35   8.162   2.235   3.550
  255    HD1  PHE  35           HD2      PHE  35   7.273  -0.033   2.566
  256    HD2  PHE  35           HD1      PHE  35   4.995   2.642   4.922
  257    HE1  PHE  35           HE2      PHE  35   5.221  -0.979   1.627
  258    HE2  PHE  35           HE1      PHE  35   2.929   1.706   3.988
  259    HZ   PHE  35           HZ       PHE  35   3.037  -0.104   2.332
  260    H    GLU  36           HN       GLU  36   9.230   2.032   7.228
  261    HA   GLU  36           HA       GLU  36  11.744   2.926   6.305
  262    HB2  GLU  36           HB2      GLU  36  10.434   3.705   8.340
  263    HB3  GLU  36           HB1      GLU  36  10.990   2.248   9.148
  264    HG2  GLU  36           HG2      GLU  36  12.394   4.038   9.811
  265    HG3  GLU  36           HG1      GLU  36  13.324   3.000   8.728
  266    H    ASP  37           HN       ASP  37  10.551  -0.076   7.656
  267    HA   ASP  37           HA       ASP  37  13.132  -1.146   8.318
  268    HB2  ASP  37           HB2      ASP  37  10.439  -2.523   8.162
  269    HB3  ASP  37           HB1      ASP  37  11.920  -3.288   8.705
  270    H    ILE  38           HN       ILE  38  10.870  -1.375   5.659
  271    HA   ILE  38           HA       ILE  38  12.613  -3.338   4.439
  272    HB   ILE  38           HB       ILE  38  10.862  -3.629   2.695
  273   HG12  ILE  38          HG12      ILE  38   9.255  -1.711   4.411
  274   HG13  ILE  38          HG11      ILE  38   9.887  -1.380   2.801
  275   HG21  ILE  38          HG21      ILE  38   9.887  -3.916   5.547
  276   HG22  ILE  38          HG22      ILE  38  10.893  -5.067   4.672
  277   HG23  ILE  38          HG23      ILE  38   9.233  -4.766   4.155
  278   HD11  ILE  38          HD11      ILE  38   7.497  -1.919   2.752
  279   HD12  ILE  38          HD12      ILE  38   7.843  -3.487   3.477
  280   HD13  ILE  38          HD13      ILE  38   8.451  -3.109   1.867
  281    H    GLY  39           HN       GLY  39  13.065  -0.373   4.707
  282    HA2  GLY  39           HA2      GLY  39  14.184   1.278   3.551
  283    HA3  GLY  39           HA1      GLY  39  14.762  -0.021   2.522
  284    H    TYR  40           HN       TYR  40  11.630   1.512   3.061
  285    HA   TYR  40           HA       TYR  40  11.213   1.472   0.156
  286    HB2  TYR  40           HB2      TYR  40   9.714   0.491   2.205
  287    HB3  TYR  40           HB1      TYR  40   9.017   2.083   1.987
  288    HD1  TYR  40           HD1      TYR  40   9.814  -1.047   0.300
  289    HD2  TYR  40           HD2      TYR  40   7.520   2.510   0.213
  290    HE1  TYR  40           HE1      TYR  40   8.485  -1.973  -1.540
  291    HE2  TYR  40           HE2      TYR  40   6.178   1.617  -1.643
  292    HH   TYR  40           HH       TYR  40   6.351  -1.666  -2.668
  293    H    ASP  41           HN       ASP  41  11.635   3.456  -0.745
  294    HA   ASP  41           HA       ASP  41  11.280   5.887   0.778
  295    HB2  ASP  41           HB2      ASP  41  13.006   5.742  -1.050
  296    HB3  ASP  41           HB1      ASP  41  11.710   5.541  -2.220
  297    H    SER  42           HN       SER  42   9.637   7.540   0.140
  298    HA   SER  42           HA       SER  42   7.141   6.259   0.055
  299    HB2  SER  42           HB2      SER  42   7.404   9.197  -0.455
  300    HB3  SER  42           HB1      SER  42   6.215   8.294   0.453
  301    H    LEU  43           HN       LEU  43   9.221   7.510  -2.446
  302    HA   LEU  43           HA       LEU  43   7.280   8.068  -4.399
  303    HB2  LEU  43           HB2      LEU  43   9.763   8.618  -4.481
  304    HB3  LEU  43           HB1      LEU  43  10.054   6.950  -4.902
  305    HG   LEU  43           HG       LEU  43  10.149   8.574  -6.821
  306   HD11  LEU  43          HD11      LEU  43   8.891   7.237  -8.423
  307   HD12  LEU  43          HD12      LEU  43   8.031   6.447  -7.110
  308   HD13  LEU  43          HD13      LEU  43   9.768   6.209  -7.290
  309   HD21  LEU  43          HD21      LEU  43   7.185   8.759  -6.347
  310   HD22  LEU  43          HD22      LEU  43   8.047   9.415  -7.739
  311   HD23  LEU  43          HD23      LEU  43   8.362  10.052  -6.122
  312    H    ALA  44           HN       ALA  44   8.941   5.069  -3.577
  313    HA   ALA  44           HA       ALA  44   7.734   3.482  -5.592
  314    HB1  ALA  44           HB1      ALA  44   9.794   2.805  -4.438
  315    HB2  ALA  44           HB2      ALA  44   8.544   1.571  -4.281
  316    HB3  ALA  44           HB3      ALA  44   8.895   2.650  -2.928
  317    H    LEU  45           HN       LEU  45   6.869   4.430  -2.381
  318    HA   LEU  45           HA       LEU  45   4.678   2.648  -2.061
  319    HB2  LEU  45           HB2      LEU  45   5.854   3.572  -0.152
  320    HB3  LEU  45           HB1      LEU  45   5.420   5.195  -0.628
  321    HG   LEU  45           HG       LEU  45   3.094   4.784  -0.061
  322   HD11  LEU  45          HD11      LEU  45   2.970   2.420  -0.706
  323   HD12  LEU  45          HD12      LEU  45   2.390   2.670   0.942
  324   HD13  LEU  45          HD13      LEU  45   3.994   1.994   0.665
  325   HD21  LEU  45          HD21      LEU  45   3.364   4.457   2.344
  326   HD22  LEU  45          HD22      LEU  45   4.614   5.519   1.695
  327   HD23  LEU  45          HD23      LEU  45   4.996   3.841   2.079
  328    H    MET  46           HN       MET  46   5.040   5.944  -3.192
  329    HA   MET  46           HA       MET  46   2.364   6.700  -3.521
  330    HB2  MET  46           HB2      MET  46   4.746   7.375  -5.248
  331    HB3  MET  46           HB1      MET  46   3.184   8.160  -5.362
  332    HG2  MET  46           HG2      MET  46   5.022   8.201  -2.992
  333    HG3  MET  46           HG1      MET  46   4.814   9.468  -4.203
  334    HE1  MET  46           HE1      MET  46   1.100  10.558  -3.555
  335    HE2  MET  46           HE2      MET  46   1.676   9.332  -4.688
  336    HE3  MET  46           HE3      MET  46   2.562  10.843  -4.502
  337    H    GLU  47           HN       GLU  47   4.569   4.994  -5.629
  338    HA   GLU  47           HA       GLU  47   2.906   4.754  -7.866
  339    HB2  GLU  47           HB2      GLU  47   5.432   4.410  -7.503
  340    HB3  GLU  47           HB1      GLU  47   5.026   2.765  -7.048
  341    HG2  GLU  47           HG2      GLU  47   4.328   3.987  -9.720
  342    HG3  GLU  47           HG1      GLU  47   5.813   3.123  -9.417
  343    H    THR  48           HN       THR  48   3.645   2.408  -5.260
  344    HA   THR  48           HA       THR  48   1.833   0.421  -5.812
  345    HB   THR  48           HB       THR  48   2.688   1.471  -3.095
  346    HG1  THR  48           HG1      THR  48   4.533   0.284  -3.422
  347   HG21  THR  48          HG21      THR  48   0.801  -0.098  -2.943
  348   HG22  THR  48          HG22      THR  48   2.285  -0.826  -2.322
  349   HG23  THR  48          HG23      THR  48   1.690  -1.268  -3.923
  350    H    ALA  49           HN       ALA  49   1.317   3.278  -3.701
  351    HA   ALA  49           HA       ALA  49  -1.320   2.776  -2.978
  352    HB1  ALA  49           HB1      ALA  49   0.026   5.459  -3.289
  353    HB2  ALA  49           HB2      ALA  49   0.102   4.431  -1.856
  354    HB3  ALA  49           HB3      ALA  49  -1.436   5.132  -2.358
  355    H    ALA  50           HN       ALA  50  -0.128   4.982  -5.522
  356    HA   ALA  50           HA       ALA  50  -2.598   5.798  -6.523
  357    HB1  ALA  50           HB1      ALA  50  -0.472   6.882  -7.068
  358    HB2  ALA  50           HB2      ALA  50  -1.390   6.482  -8.521
  359    HB3  ALA  50           HB3      ALA  50  -0.014   5.488  -8.047
  360    H    ARG  51           HN       ARG  51  -0.647   3.023  -7.299
  361    HA   ARG  51           HA       ARG  51  -2.000   2.042  -9.540
  362    HB2  ARG  51           HB2      ARG  51   0.188   1.190  -8.747
  363    HB3  ARG  51           HB1      ARG  51  -0.589   0.528  -7.322
  364    HG2  ARG  51           HG2      ARG  51  -1.909  -0.955  -8.809
  365    HG3  ARG  51           HG1      ARG  51  -0.963  -0.353 -10.170
  366    HD2  ARG  51           HD2      ARG  51   0.132  -1.777  -7.739
  367    HD3  ARG  51           HD1      ARG  51  -0.094  -2.488  -9.331
  368    HE   ARG  51           HE       ARG  51   1.700  -0.179  -9.036
  369   HH11  ARG  51          HH11      ARG  51   1.263  -3.613  -9.787
  370   HH12  ARG  51          HH12      ARG  51   2.840  -3.812 -10.385
  371   HH21  ARG  51          HH21      ARG  51   3.906  -0.504  -9.790
  372   HH22  ARG  51          HH22      ARG  51   4.376  -2.037 -10.350
  373    H    LEU  52           HN       LEU  52  -2.387   1.197  -6.110
  374    HA   LEU  52           HA       LEU  52  -4.657  -0.435  -6.553
  375    HB2  LEU  52           HB2      LEU  52  -3.603   0.817  -4.027
  376    HB3  LEU  52           HB1      LEU  52  -4.909  -0.351  -4.083
  377    HG   LEU  52           HG       LEU  52  -2.069  -0.871  -4.963
  378   HD11  LEU  52          HD11      LEU  52  -2.240  -0.590  -2.556
  379   HD12  LEU  52          HD12      LEU  52  -1.941  -2.277  -2.971
  380   HD13  LEU  52          HD13      LEU  52  -3.562  -1.756  -2.503
  381   HD21  LEU  52          HD21      LEU  52  -4.434  -2.728  -4.690
  382   HD22  LEU  52          HD22      LEU  52  -2.785  -3.211  -5.091
  383   HD23  LEU  52          HD23      LEU  52  -3.705  -2.200  -6.206
  384    H    GLU  53           HN       GLU  53  -4.263   2.964  -5.622
  385    HA   GLU  53           HA       GLU  53  -6.882   3.522  -4.903
  386    HB2  GLU  53           HB2      GLU  53  -5.079   5.416  -6.403
  387    HB3  GLU  53           HB1      GLU  53  -6.561   5.769  -5.549
  388    HG2  GLU  53           HG2      GLU  53  -5.547   5.310  -3.438
  389    HG3  GLU  53           HG1      GLU  53  -4.032   4.854  -4.241
  390    H    SER  54           HN       SER  54  -5.364   3.751  -8.090
  391    HA   SER  54           HA       SER  54  -7.767   4.665  -9.313
  392    HB2  SER  54           HB2      SER  54  -5.282   3.580 -10.641
  393    HB3  SER  54           HB1      SER  54  -6.483   4.671 -11.336
  394    HG   SER  54           HG       SER  54  -4.480   5.172  -9.453
  395    H    ARG  55           HN       ARG  55  -6.282   1.580  -8.764
  396    HA   ARG  55           HA       ARG  55  -7.697   0.151 -10.773
  397    HB2  ARG  55           HB2      ARG  55  -5.551  -0.610  -9.824
  398    HB3  ARG  55           HB1      ARG  55  -6.348  -0.896  -8.287
  399    HG2  ARG  55           HG2      ARG  55  -7.749  -2.599  -9.328
  400    HG3  ARG  55           HG1      ARG  55  -6.950  -2.308 -10.875
  401    HD2  ARG  55           HD2      ARG  55  -4.817  -2.981  -9.905
  402    HD3  ARG  55           HD1      ARG  55  -5.601  -3.248  -8.347
  403    HE   ARG  55           HE       ARG  55  -6.400  -4.719 -10.747
  404   HH11  ARG  55          HH11      ARG  55  -5.216  -4.725  -7.381
  405   HH12  ARG  55          HH12      ARG  55  -5.481  -6.360  -7.118
  406   HH21  ARG  55          HH21      ARG  55  -6.635  -7.059 -10.438
  407   HH22  ARG  55          HH22      ARG  55  -6.323  -7.747  -8.918
  408    H    TYR  56           HN       TYR  56  -8.332   0.818  -7.367
  409    HA   TYR  56           HA       TYR  56 -10.813  -0.696  -7.688
  410    HB2  TYR  56           HB2      TYR  56  -9.247  -0.098  -5.198
  411    HB3  TYR  56           HB1      TYR  56 -10.909  -0.684  -5.149
  412    HD1  TYR  56           HD2      TYR  56  -7.451  -1.545  -6.101
  413    HD2  TYR  56           HD1      TYR  56 -11.452  -2.937  -5.718
  414    HE1  TYR  56           HE2      TYR  56  -6.670  -3.858  -6.374
  415    HE2  TYR  56           HE1      TYR  56 -10.684  -5.251  -5.994
  416    HH   TYR  56           HH       TYR  56  -7.344  -6.105  -5.902
  417    H    GLY  57           HN       GLY  57  -9.656   2.490  -7.121
  418    HA2  GLY  57           HA2      GLY  57 -11.035   4.304  -7.648
  419    HA3  GLY  57           HA1      GLY  57 -12.437   3.342  -7.218
  420    H    VAL  58           HN       VAL  58  -9.456   4.396  -5.587
  421    HA   VAL  58           HA       VAL  58 -11.153   5.639  -3.550
  422    HB   VAL  58           HB       VAL  58  -9.563   5.133  -1.734
  423   HG11  VAL  58          HG11      VAL  58 -11.421   3.645  -2.053
  424   HG12  VAL  58          HG12      VAL  58  -9.986   2.766  -1.493
  425   HG13  VAL  58          HG13      VAL  58 -10.459   2.700  -3.192
  426   HG21  VAL  58          HG21      VAL  58  -8.182   3.328  -3.679
  427   HG22  VAL  58          HG22      VAL  58  -7.757   3.568  -1.978
  428   HG23  VAL  58          HG23      VAL  58  -7.542   4.883  -3.142
  429    H    SER  59           HN       SER  59  -9.650   7.154  -2.117
  430    HA   SER  59           HA       SER  59  -7.775   8.524  -3.876
  431    HB2  SER  59           HB2      SER  59 -10.002   9.925  -2.374
  432    HB3  SER  59           HB1      SER  59  -8.865  10.647  -3.514
  433    HG   SER  59           HG       SER  59 -11.022   8.906  -3.967
  434    H    ILE  60           HN       ILE  60  -5.962   8.446  -2.709
  435    HA   ILE  60           HA       ILE  60  -6.024   9.217   0.128
  436    HB   ILE  60           HB       ILE  60  -4.145   7.255  -1.268
  437   HG12  ILE  60          HG12      ILE  60  -6.147   6.821   0.966
  438   HG13  ILE  60          HG11      ILE  60  -6.364   6.333  -0.709
  439   HG21  ILE  60          HG21      ILE  60  -2.887   8.595   0.363
  440   HG22  ILE  60          HG22      ILE  60  -3.035   6.933   0.916
  441   HG23  ILE  60          HG23      ILE  60  -4.056   8.185   1.617
  442   HD11  ILE  60          HD11      ILE  60  -4.501   4.769  -0.488
  443   HD12  ILE  60          HD12      ILE  60  -5.756   4.461   0.718
  444   HD13  ILE  60          HD13      ILE  60  -4.271   5.281   1.185
  445    HA   PRO  61           HA       PRO  61  -3.967  12.827  -1.593
  446    HB2  PRO  61           HB2      PRO  61  -3.182  13.071   1.275
  447    HB3  PRO  61           HB1      PRO  61  -3.889  14.282   0.194
  448    HG2  PRO  61           HG2      PRO  61  -5.402  13.118   2.014
  449    HG3  PRO  61           HG1      PRO  61  -6.029  13.380   0.374
  450    HD2  PRO  61           HD2      PRO  61  -5.019  10.866   1.638
  451    HD3  PRO  61           HD1      PRO  61  -6.400  11.107   0.547
  452    H    ASP  62           HN       ASP  62  -1.962  13.352  -2.196
  453    HA   ASP  62           HA       ASP  62  -0.004  11.454  -2.557
  454    HB2  ASP  62           HB2      ASP  62   0.295  14.450  -2.597
  455    HB3  ASP  62           HB1      ASP  62   1.578  13.351  -3.076
  456    H    ASP  63           HN       ASP  63   0.390  14.168  -0.300
  457    HA   ASP  63           HA       ASP  63   2.794  12.962   0.670
  458    HB2  ASP  63           HB2      ASP  63   2.951  14.792   2.296
  459    HB3  ASP  63           HB1      ASP  63   2.658  15.390   0.671
  460    H    VAL  64           HN       VAL  64  -0.415  12.477   1.437
  461    HA   VAL  64           HA       VAL  64   0.116  11.528   4.120
  462    HB   VAL  64           HB       VAL  64  -2.370  11.210   2.377
  463   HG11  VAL  64          HG11      VAL  64  -2.249   9.448   4.072
  464   HG12  VAL  64          HG12      VAL  64  -3.541  10.588   4.445
  465   HG13  VAL  64          HG13      VAL  64  -2.019  10.661   5.332
  466   HG21  VAL  64          HG21      VAL  64  -1.917  13.532   2.939
  467   HG22  VAL  64          HG22      VAL  64  -1.803  13.115   4.647
  468   HG23  VAL  64          HG23      VAL  64  -3.343  12.956   3.799
  469    H    ALA  65           HN       ALA  65  -0.463  10.213   0.891
  470    HA   ALA  65           HA       ALA  65  -0.231   7.483   1.457
  471    HB1  ALA  65           HB1      ALA  65   0.340   7.229  -0.900
  472    HB2  ALA  65           HB2      ALA  65   0.684   8.945  -1.014
  473    HB3  ALA  65           HB3      ALA  65  -0.979   8.399  -0.731
  474    H    GLY  66           HN       GLY  66   2.132   9.980   0.779
  475    HA2  GLY  66           HA2      GLY  66   4.386   8.247   0.875
  476    HA3  GLY  66           HA1      GLY  66   4.419  10.004   0.959
  477    H    ARG  67           HN       ARG  67   2.356   9.217   3.353
  478    HA   ARG  67           HA       ARG  67   4.537   8.917   5.279
  479    HB2  ARG  67           HB2      ARG  67   2.163  10.752   5.486
  480    HB3  ARG  67           HB1      ARG  67   3.112  10.284   6.891
  481    HG2  ARG  67           HG2      ARG  67   4.135  11.742   4.456
  482    HG3  ARG  67           HG1      ARG  67   3.826  12.441   6.050
  483    HD2  ARG  67           HD2      ARG  67   5.803  10.258   5.448
  484    HD3  ARG  67           HD1      ARG  67   6.211  11.965   5.661
  485    HE   ARG  67           HE       ARG  67   5.154  11.648   7.940
  486   HH11  ARG  67          HH11      ARG  67   7.127   9.119   6.313
  487   HH12  ARG  67          HH12      ARG  67   7.504   8.312   7.758
  488   HH21  ARG  67          HH21      ARG  67   5.732  10.489   9.911
  489   HH22  ARG  67          HH22      ARG  67   6.661   9.057   9.840
  490    H    VAL  68           HN       VAL  68   2.236   7.115   4.071
  491    HA   VAL  68           HA       VAL  68   1.197   6.153   6.576
  492    HB   VAL  68           HB       VAL  68   0.196   4.245   5.217
  493   HG11  VAL  68          HG11      VAL  68  -1.093   6.208   5.770
  494   HG12  VAL  68          HG12      VAL  68  -1.509   5.641   4.151
  495   HG13  VAL  68          HG13      VAL  68  -0.465   7.050   4.352
  496   HG21  VAL  68          HG21      VAL  68   0.076   4.514   2.772
  497   HG22  VAL  68          HG22      VAL  68   1.743   4.242   3.300
  498   HG23  VAL  68          HG23      VAL  68   1.194   5.864   2.869
  499    H    ASP  69           HN       ASP  69   2.817   5.721   7.744
  500    HA   ASP  69           HA       ASP  69   5.308   4.747   7.248
  501    HB2  ASP  69           HB2      ASP  69   4.445   5.811   9.324
  502    HB3  ASP  69           HB1      ASP  69   3.733   4.271   9.762
  503    H    THR  70           HN       THR  70   2.432   2.770   7.712
  504    HA   THR  70           HA       THR  70   4.076   0.383   7.274
  505    HB   THR  70           HB       THR  70   2.387  -0.843   8.665
  506    HG1  THR  70           HG1      THR  70   1.379   1.002  10.195
  507   HG21  THR  70          HG21      THR  70   3.871   1.376  10.058
  508   HG22  THR  70          HG22      THR  70   4.548  -0.197   9.618
  509   HG23  THR  70          HG23      THR  70   3.266  -0.088  10.832
  510    HA   PRO  71           HA       PRO  71   1.225  -0.600   3.925
  511    HB2  PRO  71           HB2      PRO  71   1.279  -3.373   5.028
  512    HB3  PRO  71           HB1      PRO  71   1.620  -2.820   3.383
  513    HG2  PRO  71           HG2      PRO  71   3.597  -3.570   4.974
  514    HG3  PRO  71           HG1      PRO  71   3.781  -2.154   3.917
  515    HD2  PRO  71           HD2      PRO  71   3.241  -2.269   6.857
  516    HD3  PRO  71           HD1      PRO  71   4.303  -1.172   5.946
  517    H    ARG  72           HN       ARG  72   0.753  -1.593   7.207
  518    HA   ARG  72           HA       ARG  72  -1.903  -2.365   7.341
  519    HB2  ARG  72           HB2      ARG  72  -0.382  -2.425   9.264
  520    HB3  ARG  72           HB1      ARG  72  -0.312  -0.672   9.280
  521    HG2  ARG  72           HG2      ARG  72  -1.751  -1.378  11.030
  522    HG3  ARG  72           HG1      ARG  72  -2.748  -0.643   9.773
  523    HD2  ARG  72           HD2      ARG  72  -3.850  -2.613  10.532
  524    HD3  ARG  72           HD1      ARG  72  -3.211  -2.943   8.920
  525    HE   ARG  72           HE       ARG  72  -1.330  -3.697  10.855
  526   HH11  ARG  72          HH11      ARG  72  -4.492  -4.776   9.611
  527   HH12  ARG  72          HH12      ARG  72  -4.218  -6.396  10.004
  528   HH21  ARG  72          HH21      ARG  72  -0.985  -5.893  11.409
  529   HH22  ARG  72          HH22      ARG  72  -2.166  -7.074  11.082
  530    H    GLU  73           HN       GLU  73  -0.493   0.887   7.636
  531    HA   GLU  73           HA       GLU  73  -2.927   2.241   7.895
  532    HB2  GLU  73           HB2      GLU  73  -0.252   3.269   6.960
  533    HB3  GLU  73           HB1      GLU  73  -1.612   4.286   7.403
  534    HG2  GLU  73           HG2      GLU  73  -0.080   2.431   9.198
  535    HG3  GLU  73           HG1      GLU  73  -0.066   4.194   9.218
  536    H    LEU  74           HN       LEU  74  -0.944   1.608   5.031
  537    HA   LEU  74           HA       LEU  74  -2.489   3.135   3.210
  538    HB2  LEU  74           HB2      LEU  74  -0.131   2.006   2.859
  539    HB3  LEU  74           HB1      LEU  74  -1.087   0.588   2.463
  540    HG   LEU  74           HG       LEU  74  -0.171   1.878   0.505
  541   HD11  LEU  74          HD11      LEU  74  -3.147   1.454   0.598
  542   HD12  LEU  74          HD12      LEU  74  -1.925   0.246   0.201
  543   HD13  LEU  74          HD13      LEU  74  -2.172   1.632  -0.860
  544   HD21  LEU  74          HD21      LEU  74  -1.433   3.845  -0.229
  545   HD22  LEU  74          HD22      LEU  74  -0.598   4.130   1.300
  546   HD23  LEU  74          HD23      LEU  74  -2.334   3.822   1.286
  547    H    LEU  75           HN       LEU  75  -2.620  -0.275   4.162
  548    HA   LEU  75           HA       LEU  75  -4.758  -1.044   2.502
  549    HB2  LEU  75           HB2      LEU  75  -3.209  -2.602   3.655
  550    HB3  LEU  75           HB1      LEU  75  -3.946  -2.173   5.184
  551    HG   LEU  75           HG       LEU  75  -6.113  -3.066   4.314
  552   HD11  LEU  75          HD11      LEU  75  -5.664  -2.889   1.943
  553   HD12  LEU  75          HD12      LEU  75  -6.053  -4.550   2.378
  554   HD13  LEU  75          HD13      LEU  75  -4.378  -4.088   2.080
  555   HD21  LEU  75          HD21      LEU  75  -4.701  -4.383   5.800
  556   HD22  LEU  75          HD22      LEU  75  -3.797  -4.999   4.416
  557   HD23  LEU  75          HD23      LEU  75  -5.497  -5.419   4.618
  558    H    ASP  76           HN       ASP  76  -4.572   0.227   5.754
  559    HA   ASP  76           HA       ASP  76  -7.237  -0.124   6.567
  560    HB2  ASP  76           HB2      ASP  76  -5.447   0.294   8.145
  561    HB3  ASP  76           HB1      ASP  76  -5.130   1.863   7.419
  562    H    LEU  77           HN       LEU  77  -5.527   2.632   5.208
  563    HA   LEU  77           HA       LEU  77  -7.660   4.399   5.063
  564    HB2  LEU  77           HB2      LEU  77  -5.228   4.113   3.343
  565    HB3  LEU  77           HB1      LEU  77  -6.371   5.416   3.144
  566    HG   LEU  77           HG       LEU  77  -4.595   4.892   5.531
  567   HD11  LEU  77          HD11      LEU  77  -3.630   7.045   4.930
  568   HD12  LEU  77          HD12      LEU  77  -4.705   7.136   3.535
  569   HD13  LEU  77          HD13      LEU  77  -3.477   5.877   3.618
  570   HD21  LEU  77          HD21      LEU  77  -6.676   7.042   5.138
  571   HD22  LEU  77          HD22      LEU  77  -5.539   6.935   6.482
  572   HD23  LEU  77          HD23      LEU  77  -6.783   5.701   6.278
  573    H    ILE  78           HN       ILE  78  -6.558   1.987   2.706
  574    HA   ILE  78           HA       ILE  78  -8.590   2.739   0.856
  575    HB   ILE  78           HB       ILE  78  -6.869   0.239   0.873
  576   HG12  ILE  78          HG12      ILE  78  -6.757   2.816  -0.692
  577   HG13  ILE  78          HG11      ILE  78  -5.579   2.231   0.477
  578   HG21  ILE  78          HG21      ILE  78  -8.979  -0.196  -0.297
  579   HG22  ILE  78          HG22      ILE  78  -7.632  -0.117  -1.431
  580   HG23  ILE  78          HG23      ILE  78  -8.738   1.249  -1.281
  581   HD11  ILE  78          HD11      ILE  78  -4.830   1.967  -1.846
  582   HD12  ILE  78          HD12      ILE  78  -6.254   0.942  -2.124
  583   HD13  ILE  78          HD13      ILE  78  -4.995   0.410  -0.996
  584    H    ASN  79           HN       ASN  79  -8.375   0.385   3.402
  585    HA   ASN  79           HA       ASN  79 -10.710  -1.053   2.781
  586    HB2  ASN  79           HB2      ASN  79  -9.226  -0.587   5.349
  587    HB3  ASN  79           HB1      ASN  79 -10.806  -1.340   5.403
  588   HD21  ASN  79          HD21      ASN  79  -8.455  -1.877   2.822
  589   HD22  ASN  79          HD22      ASN  79  -8.111  -3.521   3.259
  590    H    GLY  80           HN       GLY  80 -10.220   1.842   4.745
  591    HA2  GLY  80           HA2      GLY  80 -12.990   2.143   5.373
  592    HA3  GLY  80           HA1      GLY  80 -11.734   3.361   5.570
  593    H    ALA  81           HN       ALA  81 -10.884   3.403   2.855
  594    HA   ALA  81           HA       ALA  81 -12.759   5.292   1.877
  595    HB1  ALA  81           HB1      ALA  81 -10.348   4.132   0.481
  596    HB2  ALA  81           HB2      ALA  81 -10.349   5.557   1.520
  597    HB3  ALA  81           HB3      ALA  81 -11.239   5.574  -0.003
  598    H    LEU  82           HN       LEU  82 -11.927   1.983   0.997
  599    HA   LEU  82           HA       LEU  82 -13.734   1.934  -1.196
  600    HB2  LEU  82           HB2      LEU  82 -12.206  -0.181   0.252
  601    HB3  LEU  82           HB1      LEU  82 -13.476  -0.636  -0.847
  602    HG   LEU  82           HG       LEU  82 -10.900   0.834  -1.570
  603   HD11  LEU  82          HD11      LEU  82 -10.454  -1.142  -2.858
  604   HD12  LEU  82          HD12      LEU  82 -11.948  -1.882  -2.282
  605   HD13  LEU  82          HD13      LEU  82 -10.643  -1.530  -1.149
  606   HD21  LEU  82          HD21      LEU  82 -13.219   0.014  -3.331
  607   HD22  LEU  82          HD22      LEU  82 -11.695   0.722  -3.862
  608   HD23  LEU  82          HD23      LEU  82 -12.817   1.672  -2.887
  609    H    ALA  83           HN       ALA  83 -14.100   1.442   2.214
  610    HA   ALA  83           HA       ALA  83 -16.608   0.101   2.059
  611    HB1  ALA  83           HB1      ALA  83 -15.279   0.148   4.132
  612    HB2  ALA  83           HB2      ALA  83 -16.892   0.815   4.399
  613    HB3  ALA  83           HB3      ALA  83 -15.507   1.896   4.229
  614    H    GLU  84           HN       GLU  84 -15.521   3.351   1.946
  615    HA   GLU  84           HA       GLU  84 -18.081   4.643   2.018
  616    HB2  GLU  84           HB2      GLU  84 -16.118   5.754   2.861
  617    HB3  GLU  84           HB1      GLU  84 -15.285   5.540   1.336
  618    HG2  GLU  84           HG2      GLU  84 -16.854   7.063   0.281
  619    HG3  GLU  84           HG1      GLU  84 -17.676   7.289   1.828
  620    H    ALA  85           HN       ALA  85 -15.778   3.598  -0.390
  621    HA   ALA  85           HA       ALA  85 -16.936   4.883  -2.615
  622    HB1  ALA  85           HB1      ALA  85 -14.596   4.169  -2.564
  623    HB2  ALA  85           HB2      ALA  85 -15.456   3.507  -3.954
  624    HB3  ALA  85           HB3      ALA  85 -15.115   2.484  -2.556
  625    H    ALA  86           HN       ALA  86 -17.975   3.956  -4.356
  626    HA   ALA  86           HA       ALA  86 -19.199   1.391  -4.188
  627    HB1  ALA  86           HB1      ALA  86 -21.490   2.296  -4.392
  628    HB2  ALA  86           HB2      ALA  86 -20.858   3.923  -4.125
  629    HB3  ALA  86           HB3      ALA  86 -20.765   2.719  -2.840
  630    H28  SXM  87          H28A      SXM  87   8.456  12.537   2.601
  631   H28A  SXM  87          H28B      SXM  87   8.686  12.578   0.850
  632    H30  SXM  87          H30A      SXM  87   5.341  13.718  -0.040
  633   H30A  SXM  87          H30B      SXM  87   5.929  12.053  -0.035
  634   H30B  SXM  87          H30C      SXM  87   6.964  13.353  -0.625
  635    H31  SXM  87          H31C      SXM  87   5.350  11.914   2.367
  636   H31A  SXM  87          H31A      SXM  87   4.828  13.598   2.399
  637   H31B  SXM  87          H31B      SXM  87   6.065  13.040   3.521
  638    H32  SXM  87          H32A      SXM  87   6.317  15.415   1.750
  639   HO33  SXM  87          H33A      SXM  87   8.807  14.759   0.532
  640   HN36  SXM  87          H36A      SXM  87   9.068  16.276   1.898
  641    H37  SXM  87          H37B      SXM  87  10.730  15.540   3.867
  642   H37A  SXM  87          H37A      SXM  87   9.443  16.318   4.779
  643    H38  SXM  87          H38A      SXM  87   9.803  18.391   3.555
  644   H38A  SXM  87          H38B      SXM  87  11.273  17.865   4.362
  645   HN41  SXM  87          H41A      SXM  87  12.045  19.496   2.860
  646    H42  SXM  87          H42A      SXM  87  13.068  18.340   0.369
  647   H42A  SXM  87          H42B      SXM  87  12.248  19.894   0.342
  648    H43  SXM  87          H43A      SXM  87  14.771  19.268   1.861
  649   H43A  SXM  87          H43B      SXM  87  13.831  20.756   2.000
  650    H2   SXM  87           H2A      SXM  87  17.904  22.579   0.474
  651    H2A  SXM  87           H2B      SXM  87  16.401  23.128  -0.231
  Start of MODEL    4
    1    H1   MET   1           HT1      MET   1 -18.421  -2.839   4.124
    2    H2   MET   1           HT2      MET   1 -17.339  -3.935   4.803
    3    H3   MET   1           HT3      MET   1 -18.455  -3.156   5.803
    4    HA   MET   1           HA       MET   1 -19.150  -5.362   5.486
    5    HB2  MET   1           HB2      MET   1 -20.890  -3.627   5.540
    6    HB3  MET   1           HB1      MET   1 -20.784  -3.453   3.797
    7    HG2  MET   1           HG2      MET   1 -21.580  -5.755   3.534
    8    HG3  MET   1           HG1      MET   1 -21.711  -5.894   5.289
    9    HE1  MET   1           HE1      MET   1 -25.458  -5.734   4.124
   10    HE2  MET   1           HE2      MET   1 -24.254  -6.650   5.029
   11    HE3  MET   1           HE3      MET   1 -24.114  -6.502   3.278
   12    H    ALA   2           HN       ALA   2 -18.394  -3.751   2.413
   13    HA   ALA   2           HA       ALA   2 -18.904  -6.140   0.904
   14    HB1  ALA   2           HB1      ALA   2 -17.648  -3.538   0.064
   15    HB2  ALA   2           HB2      ALA   2 -19.366  -3.933  -0.025
   16    HB3  ALA   2           HB3      ALA   2 -18.204  -4.825  -1.008
   17    H    THR   3           HN       THR   3 -17.135  -6.700  -0.763
   18    HA   THR   3           HA       THR   3 -14.851  -7.691   0.599
   19    HB   THR   3           HB       THR   3 -14.437  -8.420  -1.874
   20    HG1  THR   3           HG1      THR   3 -15.748  -7.254  -3.078
   21   HG21  THR   3          HG21      THR   3 -16.108 -10.221  -1.658
   22   HG22  THR   3          HG22      THR   3 -16.932  -9.304  -0.397
   23   HG23  THR   3          HG23      THR   3 -15.305  -9.920  -0.116
   24    H    LEU   4           HN       LEU   4 -13.224  -6.244   1.010
   25    HA   LEU   4           HA       LEU   4 -12.670  -4.092  -0.930
   26    HB2  LEU   4           HB2      LEU   4 -11.419  -4.397   1.783
   27    HB3  LEU   4           HB1      LEU   4 -11.527  -2.960   0.792
   28    HG   LEU   4           HG       LEU   4 -13.674  -4.296   2.350
   29   HD11  LEU   4          HD11      LEU   4 -12.211  -2.918   3.650
   30   HD12  LEU   4          HD12      LEU   4 -13.810  -2.183   3.541
   31   HD13  LEU   4          HD13      LEU   4 -12.486  -1.558   2.558
   32   HD21  LEU   4          HD21      LEU   4 -15.209  -2.528   1.598
   33   HD22  LEU   4          HD22      LEU   4 -14.660  -3.538   0.253
   34   HD23  LEU   4          HD23      LEU   4 -13.958  -1.935   0.509
   35    H    LEU   5           HN       LEU   5 -10.213  -3.512  -0.859
   36    HA   LEU   5           HA       LEU   5  -8.647  -5.361  -2.076
   37    HB2  LEU   5           HB2      LEU   5  -8.465  -2.704  -1.483
   38    HB3  LEU   5           HB1      LEU   5  -7.457  -3.416  -0.240
   39    HG   LEU   5           HG       LEU   5  -6.969  -4.240  -2.962
   40   HD11  LEU   5          HD11      LEU   5  -6.219  -1.542  -1.796
   41   HD12  LEU   5          HD12      LEU   5  -7.322  -1.834  -3.151
   42   HD13  LEU   5          HD13      LEU   5  -5.601  -2.193  -3.321
   43   HD21  LEU   5          HD21      LEU   5  -4.636  -4.118  -2.168
   44   HD22  LEU   5          HD22      LEU   5  -5.647  -5.096  -1.092
   45   HD23  LEU   5          HD23      LEU   5  -5.225  -3.437  -0.654
   46    H    THR   6           HN       THR   6  -7.614  -7.103  -1.293
   47    HA   THR   6           HA       THR   6  -7.770  -7.729   1.517
   48    HB   THR   6           HB       THR   6  -6.859  -9.918   0.819
   49    HG1  THR   6           HG1      THR   6  -7.125  -9.526  -1.877
   50   HG21  THR   6          HG21      THR   6  -8.795 -10.605  -0.541
   51   HG22  THR   6          HG22      THR   6  -9.150  -8.913  -0.892
   52   HG23  THR   6          HG23      THR   6  -9.291  -9.519   0.757
   53    H    THR   7           HN       THR   7  -5.657  -9.132   2.229
   54    HA   THR   7           HA       THR   7  -3.517  -7.258   2.356
   55    HB   THR   7           HB       THR   7  -3.568 -10.127   3.332
   56    HG1  THR   7           HG1      THR   7  -4.465  -9.163   5.281
   57   HG21  THR   7          HG21      THR   7  -2.141  -9.221   5.116
   58   HG22  THR   7          HG22      THR   7  -2.268  -7.611   4.404
   59   HG23  THR   7          HG23      THR   7  -1.441  -8.904   3.530
   60    H    ASP   8           HN       ASP   8  -4.518  -9.900   0.460
   61    HA   ASP   8           HA       ASP   8  -1.949 -10.710  -0.548
   62    HB2  ASP   8           HB2      ASP   8  -4.763 -11.349  -1.439
   63    HB3  ASP   8           HB1      ASP   8  -3.339 -11.935  -2.281
   64    H    ASP   9           HN       ASP   9  -4.670  -8.781  -1.713
   65    HA   ASP   9           HA       ASP   9  -3.557  -8.246  -4.261
   66    HB2  ASP   9           HB2      ASP   9  -6.023  -7.741  -3.273
   67    HB3  ASP   9           HB1      ASP   9  -5.255  -6.230  -2.889
   68    H    LEU  10           HN       LEU  10  -3.456  -6.637  -1.168
   69    HA   LEU  10           HA       LEU  10  -1.930  -4.385  -1.756
   70    HB2  LEU  10           HB2      LEU  10  -3.026  -4.760   0.399
   71    HB3  LEU  10           HB1      LEU  10  -1.961  -6.107   0.726
   72    HG   LEU  10           HG       LEU  10  -0.046  -4.499   0.762
   73   HD11  LEU  10          HD11      LEU  10  -2.223  -2.425   0.683
   74   HD12  LEU  10          HD12      LEU  10  -1.009  -2.714  -0.561
   75   HD13  LEU  10          HD13      LEU  10  -0.522  -2.120   1.029
   76   HD21  LEU  10          HD21      LEU  10  -1.068  -5.290   2.818
   77   HD22  LEU  10          HD22      LEU  10  -2.273  -4.005   2.733
   78   HD23  LEU  10          HD23      LEU  10  -0.573  -3.605   2.982
   79    H    ARG  11           HN       ARG  11  -0.893  -7.606  -0.647
   80    HA   ARG  11           HA       ARG  11   1.834  -7.229  -0.621
   81    HB2  ARG  11           HB2      ARG  11   0.990  -9.208   0.389
   82    HB3  ARG  11           HB1      ARG  11   0.226  -9.738  -1.102
   83    HG2  ARG  11           HG2      ARG  11   2.326 -10.294  -2.079
   84    HG3  ARG  11           HG1      ARG  11   3.212  -9.488  -0.789
   85    HD2  ARG  11           HD2      ARG  11   3.252 -11.947  -0.599
   86    HD3  ARG  11           HD1      ARG  11   2.526 -11.160   0.794
   87    HE   ARG  11           HE       ARG  11   0.487 -11.872  -0.995
   88   HH11  ARG  11          HH11      ARG  11   2.953 -13.560   0.889
   89   HH12  ARG  11          HH12      ARG  11   1.930 -14.826   1.396
   90   HH21  ARG  11          HH21      ARG  11  -0.974 -13.672  -0.306
   91   HH22  ARG  11          HH22      ARG  11  -0.325 -14.910   0.635
   92    H    ARG  12           HN       ARG  12  -0.023  -8.581  -3.407
   93    HA   ARG  12           HA       ARG  12   2.108  -9.003  -5.061
   94    HB2  ARG  12           HB2      ARG  12  -0.078  -9.871  -5.482
   95    HB3  ARG  12           HB1      ARG  12  -0.744  -8.256  -5.639
   96    HG2  ARG  12           HG2      ARG  12  -0.532  -9.327  -7.716
   97    HG3  ARG  12           HG1      ARG  12   0.526  -7.905  -7.651
   98    HD2  ARG  12           HD2      ARG  12   1.764  -9.680  -8.734
   99    HD3  ARG  12           HD1      ARG  12   2.422  -9.467  -7.117
  100    HE   ARG  12           HE       ARG  12   0.549 -11.455  -6.853
  101   HH11  ARG  12          HH11      ARG  12   3.499 -11.043  -8.778
  102   HH12  ARG  12          HH12      ARG  12   3.813 -12.701  -8.904
  103   HH21  ARG  12          HH21      ARG  12   0.932 -13.638  -7.033
  104   HH22  ARG  12          HH22      ARG  12   2.269 -14.263  -7.930
  105    H    ALA  13           HN       ALA  13   0.220  -6.008  -4.681
  106    HA   ALA  13           HA       ALA  13   1.605  -4.632  -6.768
  107    HB1  ALA  13           HB1      ALA  13  -0.656  -4.000  -6.078
  108    HB2  ALA  13           HB2      ALA  13   0.459  -2.636  -5.944
  109    HB3  ALA  13           HB3      ALA  13  -0.041  -3.514  -4.498
  110    H    LEU  14           HN       LEU  14   1.918  -4.851  -3.295
  111    HA   LEU  14           HA       LEU  14   3.762  -2.764  -2.890
  112    HB2  LEU  14           HB2      LEU  14   2.265  -3.963  -1.217
  113    HB3  LEU  14           HB1      LEU  14   3.437  -5.258  -1.232
  114    HG   LEU  14           HG       LEU  14   5.144  -3.678  -0.384
  115   HD11  LEU  14          HD11      LEU  14   2.796  -1.797  -0.176
  116   HD12  LEU  14          HD12      LEU  14   4.175  -1.622  -1.263
  117   HD13  LEU  14          HD13      LEU  14   4.409  -1.520   0.483
  118   HD21  LEU  14          HD21      LEU  14   2.622  -3.885   1.258
  119   HD22  LEU  14          HD22      LEU  14   4.235  -3.547   1.886
  120   HD23  LEU  14          HD23      LEU  14   3.885  -5.110   1.145
  121    H    VAL  15           HN       VAL  15   4.133  -6.258  -3.281
  122    HA   VAL  15           HA       VAL  15   6.902  -6.497  -3.006
  123    HB   VAL  15           HB       VAL  15   4.992  -8.170  -4.688
  124   HG11  VAL  15          HG11      VAL  15   7.795  -8.817  -3.779
  125   HG12  VAL  15          HG12      VAL  15   7.302  -8.485  -5.439
  126   HG13  VAL  15          HG13      VAL  15   6.698  -9.920  -4.609
  127   HG21  VAL  15          HG21      VAL  15   6.124  -8.596  -1.935
  128   HG22  VAL  15          HG22      VAL  15   5.091  -9.726  -2.813
  129   HG23  VAL  15          HG23      VAL  15   4.458  -8.155  -2.318
  130    H    GLU  16           HN       GLU  16   4.953  -6.054  -5.943
  131    HA   GLU  16           HA       GLU  16   7.065  -6.083  -7.727
  132    HB2  GLU  16           HB2      GLU  16   4.373  -4.828  -7.918
  133    HB3  GLU  16           HB1      GLU  16   5.557  -4.660  -9.205
  134    HG2  GLU  16           HG2      GLU  16   5.679  -7.152  -9.286
  135    HG3  GLU  16           HG1      GLU  16   4.307  -7.180  -8.172
  136    H    SER  17           HN       SER  17   5.604  -3.224  -6.185
  137    HA   SER  17           HA       SER  17   7.367  -1.547  -7.679
  138    HB2  SER  17           HB2      SER  17   4.980  -1.014  -6.917
  139    HB3  SER  17           HB1      SER  17   5.689  -0.667  -5.339
  140    HG   SER  17           HG       SER  17   5.676   0.768  -7.630
  141    H    ALA  18           HN       ALA  18   7.859  -3.416  -5.006
  142    HA   ALA  18           HA       ALA  18   9.759  -1.722  -3.616
  143    HB1  ALA  18           HB1      ALA  18   8.471  -3.416  -2.413
  144    HB2  ALA  18           HB2      ALA  18  10.204  -3.723  -2.287
  145    HB3  ALA  18           HB3      ALA  18   9.215  -4.678  -3.392
  146    H    GLY  19           HN       GLY  19   9.869  -2.841  -6.512
  147    HA2  GLY  19           HA2      GLY  19  12.589  -2.575  -6.876
  148    HA3  GLY  19           HA1      GLY  19  12.180  -4.297  -6.892
  149    H    GLU  20           HN       GLU  20  12.326  -4.722  -8.995
  150    HA   GLU  20           HA       GLU  20  10.478  -3.259 -10.735
  151    HB2  GLU  20           HB2      GLU  20  12.878  -2.949 -11.247
  152    HB3  GLU  20           HB1      GLU  20  13.037  -4.687 -11.429
  153    HG2  GLU  20           HG2      GLU  20  11.427  -4.592 -13.285
  154    HG3  GLU  20           HG1      GLU  20  11.418  -2.831 -13.138
  155    H    THR  21           HN       THR  21   8.729  -4.540 -10.698
  156    HA   THR  21           HA       THR  21   7.345  -6.308 -10.942
  157    HB   THR  21           HB       THR  21   9.568  -7.485 -12.630
  158    HG1  THR  21           HG1      THR  21   7.665  -5.445 -13.022
  159   HG21  THR  21          HG21      THR  21   7.678  -9.008 -12.190
  160   HG22  THR  21          HG22      THR  21   7.706  -8.509 -13.880
  161   HG23  THR  21          HG23      THR  21   6.553  -7.776 -12.762
  162    H    ASP  22           HN       ASP  22   7.500  -6.776  -8.807
  163    HA   ASP  22           HA       ASP  22   7.739  -7.940  -6.919
  164    HB2  ASP  22           HB2      ASP  22   8.576 -10.239  -8.722
  165    HB3  ASP  22           HB1      ASP  22   8.225 -10.396  -7.006
  166    H    GLY  23           HN       GLY  23   9.290  -6.462  -6.404
  167    HA2  GLY  23           HA2      GLY  23  12.082  -7.119  -6.874
  168    HA3  GLY  23           HA1      GLY  23  11.421  -5.642  -6.160
  169    H    THR  24           HN       THR  24   9.957  -6.491  -4.117
  170    HA   THR  24           HA       THR  24  11.705  -8.106  -2.430
  171    HB   THR  24           HB       THR  24  10.559  -5.381  -1.704
  172    HG1  THR  24           HG1      THR  24  12.295  -4.752  -2.769
  173   HG21  THR  24          HG21      THR  24  11.905  -5.607   0.347
  174   HG22  THR  24          HG22      THR  24  12.421  -7.211  -0.170
  175   HG23  THR  24          HG23      THR  24  10.727  -6.913   0.215
  176    H    ASP  25           HN       ASP  25  10.310  -9.724  -2.038
  177    HA   ASP  25           HA       ASP  25   7.492  -9.463  -1.981
  178    HB2  ASP  25           HB2      ASP  25   8.448 -11.568  -2.624
  179    HB3  ASP  25           HB1      ASP  25   9.322 -11.694  -1.101
  180    H    LEU  26           HN       LEU  26   6.085  -9.584  -0.296
  181    HA   LEU  26           HA       LEU  26   7.165  -9.206   2.381
  182    HB2  LEU  26           HB2      LEU  26   4.883  -7.633   1.157
  183    HB3  LEU  26           HB1      LEU  26   5.184  -7.706   2.871
  184    HG   LEU  26           HG       LEU  26   5.979  -5.647   2.188
  185   HD11  LEU  26          HD11      LEU  26   7.495  -6.702   3.673
  186   HD12  LEU  26          HD12      LEU  26   8.381  -5.686   2.531
  187   HD13  LEU  26          HD13      LEU  26   8.363  -7.441   2.326
  188   HD21  LEU  26          HD21      LEU  26   7.508  -5.267   0.308
  189   HD22  LEU  26          HD22      LEU  26   5.969  -5.961  -0.204
  190   HD23  LEU  26          HD23      LEU  26   7.404  -6.981  -0.101
  191    H    SER  27           HN       SER  27   6.769 -11.428   2.539
  192    HA   SER  27           HA       SER  27   3.927 -12.015   2.904
  193    HB2  SER  27           HB2      SER  27   6.195 -13.935   2.377
  194    HB3  SER  27           HB1      SER  27   4.506 -14.399   2.629
  195    HG   SER  27           HG       SER  27   5.698 -12.985   0.505
  196    H    GLY  28           HN       GLY  28   3.323 -13.283   4.713
  197    HA2  GLY  28           HA2      GLY  28   3.685 -14.183   6.863
  198    HA3  GLY  28           HA1      GLY  28   5.222 -13.307   6.945
  199    H    ASP  29           HN       ASP  29   4.906 -11.985   8.672
  200    HA   ASP  29           HA       ASP  29   2.463 -10.372   8.562
  201    HB2  ASP  29           HB2      ASP  29   3.044 -11.518  10.762
  202    HB3  ASP  29           HB1      ASP  29   4.419 -10.423  10.861
  203    H    PHE  30           HN       PHE  30   2.981  -9.027   7.054
  204    HA   PHE  30           HA       PHE  30   5.389  -7.417   7.421
  205    HB2  PHE  30           HB2      PHE  30   5.125  -6.749   5.078
  206    HB3  PHE  30           HB1      PHE  30   5.209  -8.495   5.235
  207    HD1  PHE  30           HD2      PHE  30   3.028  -9.814   5.069
  208    HD2  PHE  30           HD1      PHE  30   3.335  -5.702   4.013
  209    HE1  PHE  30           HE2      PHE  30   0.976 -10.003   3.734
  210    HE2  PHE  30           HE1      PHE  30   1.284  -5.889   2.677
  211    HZ   PHE  30           HZ       PHE  30   0.104  -8.038   2.532
  212    H    LEU  31           HN       LEU  31   2.428  -7.311   8.508
  213    HA   LEU  31           HA       LEU  31   1.541  -4.768   7.528
  214    HB2  LEU  31           HB2      LEU  31   0.539  -6.390   9.873
  215    HB3  LEU  31           HB1      LEU  31  -0.206  -4.919   9.294
  216    HG   LEU  31           HG       LEU  31  -1.532  -6.646   8.504
  217   HD11  LEU  31          HD11      LEU  31   0.237  -5.828   6.228
  218   HD12  LEU  31          HD12      LEU  31  -1.187  -4.982   6.834
  219   HD13  LEU  31          HD13      LEU  31  -1.358  -6.563   6.068
  220   HD21  LEU  31          HD21      LEU  31  -0.726  -8.596   7.245
  221   HD22  LEU  31          HD22      LEU  31  -0.078  -8.520   8.885
  222   HD23  LEU  31          HD23      LEU  31   0.939  -8.062   7.516
  223    H    ASP  32           HN       ASP  32   3.152  -5.983  10.366
  224    HA   ASP  32           HA       ASP  32   3.425  -3.259  11.387
  225    HB2  ASP  32           HB2      ASP  32   4.090  -5.941  12.606
  226    HB3  ASP  32           HB1      ASP  32   4.662  -4.435  13.309
  227    H    LEU  33           HN       LEU  33   4.865  -4.633   8.992
  228    HA   LEU  33           HA       LEU  33   7.595  -4.257   9.835
  229    HB2  LEU  33           HB2      LEU  33   6.760  -6.236   8.422
  230    HB3  LEU  33           HB1      LEU  33   6.501  -5.064   7.145
  231    HG   LEU  33           HG       LEU  33   8.786  -4.567   7.023
  232   HD11  LEU  33          HD11      LEU  33   9.438  -4.922   9.373
  233   HD12  LEU  33          HD12      LEU  33  10.462  -5.889   8.310
  234   HD13  LEU  33          HD13      LEU  33   9.146  -6.651   9.202
  235   HD21  LEU  33          HD21      LEU  33   7.925  -6.380   5.670
  236   HD22  LEU  33          HD22      LEU  33   8.224  -7.528   6.974
  237   HD23  LEU  33          HD23      LEU  33   9.579  -6.741   6.164
  238    H    ARG  34           HN       ARG  34   8.273  -2.266   9.766
  239    HA   ARG  34           HA       ARG  34   6.763  -0.149   8.618
  240    HB2  ARG  34           HB2      ARG  34   9.531  -0.107   9.818
  241    HB3  ARG  34           HB1      ARG  34   8.499   1.290   9.532
  242    HG2  ARG  34           HG2      ARG  34   6.834   0.339  11.092
  243    HG3  ARG  34           HG1      ARG  34   7.951  -0.982  11.431
  244    HD2  ARG  34           HD2      ARG  34   8.021   0.788  13.155
  245    HD3  ARG  34           HD1      ARG  34   9.574   0.583  12.342
  246    HE   ARG  34           HE       ARG  34   9.454   2.715  11.739
  247   HH11  ARG  34          HH11      ARG  34   6.076   1.725  12.419
  248   HH12  ARG  34          HH12      ARG  34   5.410   3.142  11.756
  249   HH21  ARG  34          HH21      ARG  34   8.435   4.719  10.872
  250   HH22  ARG  34          HH22      ARG  34   6.724   4.817  10.922
  251    H    PHE  35           HN       PHE  35   6.994   0.936   6.730
  252    HA   PHE  35           HA       PHE  35   8.424  -0.160   4.599
  253    HB2  PHE  35           HB2      PHE  35   7.202   2.566   4.921
  254    HB3  PHE  35           HB1      PHE  35   8.006   2.070   3.443
  255    HD1  PHE  35           HD2      PHE  35   7.173  -0.539   2.884
  256    HD2  PHE  35           HD1      PHE  35   4.940   2.587   4.685
  257    HE1  PHE  35           HE2      PHE  35   5.102  -1.558   2.063
  258    HE2  PHE  35           HE1      PHE  35   2.866   1.576   3.868
  259    HZ   PHE  35           HZ       PHE  35   2.941  -0.497   2.548
  260    H    GLU  36           HN       GLU  36   9.250   2.570   6.619
  261    HA   GLU  36           HA       GLU  36  11.575   3.422   5.379
  262    HB2  GLU  36           HB2      GLU  36  12.215   4.236   7.678
  263    HB3  GLU  36           HB1      GLU  36  10.631   4.746   7.105
  264    HG2  GLU  36           HG2      GLU  36   9.553   3.071   8.466
  265    HG3  GLU  36           HG1      GLU  36  11.114   2.427   8.963
  266    H    ASP  37           HN       ASP  37  11.042   0.641   7.385
  267    HA   ASP  37           HA       ASP  37  13.843   0.140   7.867
  268    HB2  ASP  37           HB2      ASP  37  12.253  -0.496   9.580
  269    HB3  ASP  37           HB1      ASP  37  11.371  -1.503   8.436
  270    H    ILE  38           HN       ILE  38  11.326  -0.946   5.715
  271    HA   ILE  38           HA       ILE  38  13.093  -2.998   4.671
  272    HB   ILE  38           HB       ILE  38  11.100  -3.824   3.407
  273   HG12  ILE  38          HG12      ILE  38   9.654  -1.750   5.088
  274   HG13  ILE  38          HG11      ILE  38   9.807  -1.728   3.336
  275   HG21  ILE  38          HG21      ILE  38  10.003  -4.745   5.441
  276   HG22  ILE  38          HG22      ILE  38  10.938  -3.604   6.401
  277   HG23  ILE  38          HG23      ILE  38  11.765  -4.849   5.467
  278   HD11  ILE  38          HD11      ILE  38   7.602  -2.471   4.024
  279   HD12  ILE  38          HD12      ILE  38   8.316  -3.779   4.965
  280   HD13  ILE  38          HD13      ILE  38   8.465  -3.774   3.206
  281    H    GLY  39           HN       GLY  39  13.490  -0.188   4.096
  282    HA2  GLY  39           HA2      GLY  39  14.399   1.003   2.352
  283    HA3  GLY  39           HA1      GLY  39  14.450  -0.512   1.471
  284    H    TYR  40           HN       TYR  40  11.757   1.535   2.616
  285    HA   TYR  40           HA       TYR  40  10.854   1.638  -0.156
  286    HB2  TYR  40           HB2      TYR  40   9.393   1.448   2.401
  287    HB3  TYR  40           HB1      TYR  40   8.678   2.407   1.122
  288    HD1  TYR  40           HD1      TYR  40  10.066  -0.972   1.819
  289    HD2  TYR  40           HD2      TYR  40   7.401   1.386  -0.496
  290    HE1  TYR  40           HE1      TYR  40   9.084  -3.015   0.885
  291    HE2  TYR  40           HE2      TYR  40   6.410  -0.629  -1.447
  292    HH   TYR  40           HH       TYR  40   6.946  -3.021  -1.781
  293    H    ASP  41           HN       ASP  41  11.327   3.427  -1.048
  294    HA   ASP  41           HA       ASP  41  11.290   5.953   0.411
  295    HB2  ASP  41           HB2      ASP  41  13.054   5.616  -1.300
  296    HB3  ASP  41           HB1      ASP  41  11.824   5.300  -2.517
  297    H    SER  42           HN       SER  42   9.766   7.636  -0.256
  298    HA   SER  42           HA       SER  42   7.202   6.628  -0.494
  299    HB2  SER  42           HB2      SER  42   6.569   9.029  -0.896
  300    HB3  SER  42           HB1      SER  42   7.424   8.693   0.611
  301    H    LEU  43           HN       LEU  43   9.438   7.526  -3.036
  302    HA   LEU  43           HA       LEU  43   7.577   7.928  -5.100
  303    HB2  LEU  43           HB2      LEU  43   9.975   8.312  -5.403
  304    HB3  LEU  43           HB1      LEU  43  10.282   6.595  -5.259
  305    HG   LEU  43           HG       LEU  43   8.900   6.250  -7.316
  306   HD11  LEU  43          HD11      LEU  43   7.605   8.281  -7.278
  307   HD12  LEU  43          HD12      LEU  43   8.505   8.153  -8.789
  308   HD13  LEU  43          HD13      LEU  43   9.061   9.248  -7.522
  309   HD21  LEU  43          HD21      LEU  43  11.326   6.236  -7.403
  310   HD22  LEU  43          HD22      LEU  43  11.344   7.990  -7.587
  311   HD23  LEU  43          HD23      LEU  43  10.660   6.978  -8.858
  312    H    ALA  44           HN       ALA  44   9.094   4.947  -3.962
  313    HA   ALA  44           HA       ALA  44   7.693   3.250  -5.776
  314    HB1  ALA  44           HB1      ALA  44   9.093   2.551  -3.187
  315    HB2  ALA  44           HB2      ALA  44   9.843   2.603  -4.781
  316    HB3  ALA  44           HB3      ALA  44   8.597   1.408  -4.438
  317    H    LEU  45           HN       LEU  45   7.176   4.425  -2.572
  318    HA   LEU  45           HA       LEU  45   5.062   2.718  -1.842
  319    HB2  LEU  45           HB2      LEU  45   6.399   4.031  -0.259
  320    HB3  LEU  45           HB1      LEU  45   5.710   5.506  -0.897
  321    HG   LEU  45           HG       LEU  45   3.516   4.874  -0.042
  322   HD11  LEU  45          HD11      LEU  45   3.275   2.902   1.384
  323   HD12  LEU  45          HD12      LEU  45   4.940   2.439   1.032
  324   HD13  LEU  45          HD13      LEU  45   3.738   2.451  -0.257
  325   HD21  LEU  45          HD21      LEU  45   4.031   5.047   2.333
  326   HD22  LEU  45          HD22      LEU  45   5.032   6.148   1.381
  327   HD23  LEU  45          HD23      LEU  45   5.717   4.645   2.006
  328    H    MET  46           HN       MET  46   5.111   5.954  -3.278
  329    HA   MET  46           HA       MET  46   2.318   6.362  -3.517
  330    HB2  MET  46           HB2      MET  46   4.577   7.401  -5.236
  331    HB3  MET  46           HB1      MET  46   2.921   7.968  -5.330
  332    HG2  MET  46           HG2      MET  46   4.646   8.130  -2.891
  333    HG3  MET  46           HG1      MET  46   4.466   9.420  -4.069
  334    HE1  MET  46           HE1      MET  46   3.816  11.019  -2.072
  335    HE2  MET  46           HE2      MET  46   3.992   9.678  -0.941
  336    HE3  MET  46           HE3      MET  46   2.534  10.674  -0.910
  337    H    GLU  47           HN       GLU  47   4.731   5.027  -5.641
  338    HA   GLU  47           HA       GLU  47   3.248   4.558  -7.947
  339    HB2  GLU  47           HB2      GLU  47   5.762   4.439  -7.269
  340    HB3  GLU  47           HB1      GLU  47   5.431   2.750  -6.946
  341    HG2  GLU  47           HG2      GLU  47   5.155   4.155  -9.600
  342    HG3  GLU  47           HG1      GLU  47   6.451   3.071  -9.131
  343    H    THR  48           HN       THR  48   3.845   2.524  -5.100
  344    HA   THR  48           HA       THR  48   2.345   0.244  -5.807
  345    HB   THR  48           HB       THR  48   2.846   1.406  -3.041
  346    HG1  THR  48           HG1      THR  48   4.799   0.945  -4.260
  347   HG21  THR  48          HG21      THR  48   2.545  -0.906  -2.257
  348   HG22  THR  48          HG22      THR  48   2.163  -1.409  -3.904
  349   HG23  THR  48          HG23      THR  48   1.090  -0.298  -3.052
  350    H    ALA  49           HN       ALA  49   1.489   2.986  -3.687
  351    HA   ALA  49           HA       ALA  49  -1.133   2.286  -3.116
  352    HB1  ALA  49           HB1      ALA  49   0.017   5.071  -3.275
  353    HB2  ALA  49           HB2      ALA  49   0.128   3.991  -1.886
  354    HB3  ALA  49           HB3      ALA  49  -1.446   4.593  -2.411
  355    H    ALA  50           HN       ALA  50   0.080   4.404  -5.691
  356    HA   ALA  50           HA       ALA  50  -2.305   5.349  -6.722
  357    HB1  ALA  50           HB1      ALA  50   0.213   4.706  -8.246
  358    HB2  ALA  50           HB2      ALA  50  -0.093   6.190  -7.341
  359    HB3  ALA  50           HB3      ALA  50  -1.067   5.806  -8.761
  360    H    ARG  51           HN       ARG  51  -0.609   2.397  -7.435
  361    HA   ARG  51           HA       ARG  51  -2.138   1.472  -9.596
  362    HB2  ARG  51           HB2      ARG  51   0.050   0.605  -8.994
  363    HB3  ARG  51           HB1      ARG  51  -0.579   0.010  -7.473
  364    HG2  ARG  51           HG2      ARG  51  -1.911  -1.642  -8.651
  365    HG3  ARG  51           HG1      ARG  51  -1.348  -0.999 -10.205
  366    HD2  ARG  51           HD2      ARG  51   0.940  -1.509  -9.623
  367    HD3  ARG  51           HD1      ARG  51   0.431  -2.077  -8.038
  368    HE   ARG  51           HE       ARG  51  -0.948  -3.675  -9.662
  369   HH11  ARG  51          HH11      ARG  51   2.480  -2.702  -9.824
  370   HH12  ARG  51          HH12      ARG  51   3.014  -4.251 -10.337
  371   HH21  ARG  51          HH21      ARG  51  -0.168  -5.781 -10.347
  372   HH22  ARG  51          HH22      ARG  51   1.518  -6.037 -10.533
  373    H    LEU  52           HN       LEU  52  -2.419   0.940  -6.120
  374    HA   LEU  52           HA       LEU  52  -4.700  -0.758  -6.315
  375    HB2  LEU  52           HB2      LEU  52  -3.696   0.851  -3.971
  376    HB3  LEU  52           HB1      LEU  52  -4.948  -0.365  -3.888
  377    HG   LEU  52           HG       LEU  52  -2.023  -0.816  -4.469
  378   HD11  LEU  52          HD11      LEU  52  -2.555  -0.379  -2.138
  379   HD12  LEU  52          HD12      LEU  52  -2.119  -2.079  -2.363
  380   HD13  LEU  52          HD13      LEU  52  -3.813  -1.612  -2.188
  381   HD21  LEU  52          HD21      LEU  52  -3.403  -2.343  -5.806
  382   HD22  LEU  52          HD22      LEU  52  -4.286  -2.813  -4.354
  383   HD23  LEU  52          HD23      LEU  52  -2.573  -3.202  -4.507
  384    H    GLU  53           HN       GLU  53  -4.229   2.660  -5.548
  385    HA   GLU  53           HA       GLU  53  -6.803   3.435  -4.952
  386    HB2  GLU  53           HB2      GLU  53  -4.823   5.033  -6.520
  387    HB3  GLU  53           HB1      GLU  53  -6.251   5.637  -5.728
  388    HG2  GLU  53           HG2      GLU  53  -5.333   5.180  -3.569
  389    HG3  GLU  53           HG1      GLU  53  -3.905   4.431  -4.306
  390    H    SER  54           HN       SER  54  -5.206   3.610  -8.107
  391    HA   SER  54           HA       SER  54  -7.395   4.741  -9.440
  392    HB2  SER  54           HB2      SER  54  -5.120   3.155 -10.626
  393    HB3  SER  54           HB1      SER  54  -6.134   4.332 -11.464
  394    HG   SER  54           HG       SER  54  -4.217   4.735  -9.443
  395    H    ARG  55           HN       ARG  55  -6.450   1.400  -8.942
  396    HA   ARG  55           HA       ARG  55  -8.337   0.336 -10.773
  397    HB2  ARG  55           HB2      ARG  55  -6.371  -0.936 -10.145
  398    HB3  ARG  55           HB1      ARG  55  -6.866  -0.935  -8.461
  399    HG2  ARG  55           HG2      ARG  55  -8.809  -2.301  -9.029
  400    HG3  ARG  55           HG1      ARG  55  -8.312  -2.296 -10.724
  401    HD2  ARG  55           HD2      ARG  55  -6.287  -3.470 -10.181
  402    HD3  ARG  55           HD1      ARG  55  -6.636  -3.341  -8.455
  403    HE   ARG  55           HE       ARG  55  -8.544  -4.732 -10.165
  404   HH11  ARG  55          HH11      ARG  55  -5.857  -5.011  -7.875
  405   HH12  ARG  55          HH12      ARG  55  -6.335  -6.488  -7.227
  406   HH21  ARG  55          HH21      ARG  55  -9.202  -6.856  -9.314
  407   HH22  ARG  55          HH22      ARG  55  -8.250  -7.574  -8.088
  408    H    TYR  56           HN       TYR  56  -8.311   0.669  -7.222
  409    HA   TYR  56           HA       TYR  56 -10.948  -0.455  -7.082
  410    HB2  TYR  56           HB2      TYR  56  -9.049   0.495  -4.959
  411    HB3  TYR  56           HB1      TYR  56 -10.696  -0.014  -4.589
  412    HD1  TYR  56           HD2      TYR  56  -7.600  -1.218  -6.294
  413    HD2  TYR  56           HD1      TYR  56 -11.146  -2.251  -4.197
  414    HE1  TYR  56           HE2      TYR  56  -6.893  -3.564  -6.264
  415    HE2  TYR  56           HE1      TYR  56 -10.449  -4.606  -4.165
  416    HH   TYR  56           HH       TYR  56  -7.261  -5.507  -5.140
  417    H    GLY  57           HN       GLY  57  -9.820   2.675  -7.503
  418    HA2  GLY  57           HA2      GLY  57 -11.178   4.496  -7.987
  419    HA3  GLY  57           HA1      GLY  57 -12.551   3.623  -7.318
  420    H    VAL  58           HN       VAL  58  -9.436   4.319  -5.845
  421    HA   VAL  58           HA       VAL  58 -10.858   6.035  -3.957
  422    HB   VAL  58           HB       VAL  58  -9.475   5.322  -2.069
  423   HG11  VAL  58          HG11      VAL  58 -10.664   3.001  -3.501
  424   HG12  VAL  58          HG12      VAL  58 -11.534   4.123  -2.440
  425   HG13  VAL  58          HG13      VAL  58 -10.282   3.044  -1.781
  426   HG21  VAL  58          HG21      VAL  58  -7.445   4.713  -3.322
  427   HG22  VAL  58          HG22      VAL  58  -8.291   3.251  -3.892
  428   HG23  VAL  58          HG23      VAL  58  -7.947   3.465  -2.179
  429    H    SER  59           HN       SER  59  -9.156   7.354  -2.627
  430    HA   SER  59           HA       SER  59  -6.897   8.070  -4.276
  431    HB2  SER  59           HB2      SER  59  -9.020  10.047  -3.418
  432    HB3  SER  59           HB1      SER  59  -7.480  10.462  -4.178
  433    HG   SER  59           HG       SER  59  -8.675   8.576  -5.622
  434    H    ILE  60           HN       ILE  60  -5.262   8.104  -3.036
  435    HA   ILE  60           HA       ILE  60  -5.536   8.885  -0.209
  436    HB   ILE  60           HB       ILE  60  -3.251   7.326  -1.491
  437   HG12  ILE  60          HG12      ILE  60  -5.261   5.929  -1.638
  438   HG13  ILE  60          HG11      ILE  60  -4.148   5.277  -0.447
  439   HG21  ILE  60          HG21      ILE  60  -2.616   6.753   0.811
  440   HG22  ILE  60          HG22      ILE  60  -3.966   7.715   1.416
  441   HG23  ILE  60          HG23      ILE  60  -2.641   8.497   0.552
  442   HD11  ILE  60          HD11      ILE  60  -5.534   6.207   1.346
  443   HD12  ILE  60          HD12      ILE  60  -6.448   5.118   0.296
  444   HD13  ILE  60          HD13      ILE  60  -6.642   6.863   0.135
  445    HA   PRO  61           HA       PRO  61  -3.680  12.604  -2.203
  446    HB2  PRO  61           HB2      PRO  61  -3.685  13.344   0.696
  447    HB3  PRO  61           HB1      PRO  61  -4.206  14.295  -0.702
  448    HG2  PRO  61           HG2      PRO  61  -6.012  13.198   0.875
  449    HG3  PRO  61           HG1      PRO  61  -6.228  13.156  -0.886
  450    HD2  PRO  61           HD2      PRO  61  -5.357  10.979   0.967
  451    HD3  PRO  61           HD1      PRO  61  -6.414  10.893  -0.456
  452    H    ASP  62           HN       ASP  62  -1.556  13.461  -2.188
  453    HA   ASP  62           HA       ASP  62   0.395  11.524  -1.567
  454    HB2  ASP  62           HB2      ASP  62   2.096  13.045  -2.391
  455    HB3  ASP  62           HB1      ASP  62   0.693  13.099  -3.443
  456    H    ASP  63           HN       ASP  63  -0.631  14.296   0.258
  457    HA   ASP  63           HA       ASP  63   1.537  14.185   2.106
  458    HB2  ASP  63           HB2      ASP  63   0.215  16.206   2.003
  459    HB3  ASP  63           HB1      ASP  63  -1.244  15.318   2.442
  460    H    VAL  64           HN       VAL  64  -1.470  12.555   1.837
  461    HA   VAL  64           HA       VAL  64  -1.360  11.401   4.488
  462    HB   VAL  64           HB       VAL  64  -3.205  10.730   2.165
  463   HG11  VAL  64          HG11      VAL  64  -4.694   9.815   3.882
  464   HG12  VAL  64          HG12      VAL  64  -3.481  10.160   5.113
  465   HG13  VAL  64          HG13      VAL  64  -3.142   8.977   3.850
  466   HG21  VAL  64          HG21      VAL  64  -4.854  12.176   3.271
  467   HG22  VAL  64          HG22      VAL  64  -3.418  13.073   2.774
  468   HG23  VAL  64          HG23      VAL  64  -3.639  12.634   4.467
  469    H    ALA  65           HN       ALA  65  -0.860  10.423   1.143
  470    HA   ALA  65           HA       ALA  65  -0.252   7.715   1.634
  471    HB1  ALA  65           HB1      ALA  65  -0.885   8.547  -0.587
  472    HB2  ALA  65           HB2      ALA  65   0.664   7.691  -0.624
  473    HB3  ALA  65           HB3      ALA  65   0.632   9.449  -0.669
  474    H    GLY  66           HN       GLY  66   1.680  10.642   1.699
  475    HA2  GLY  66           HA2      GLY  66   4.182   9.276   1.900
  476    HA3  GLY  66           HA1      GLY  66   3.894  10.969   2.293
  477    H    ARG  67           HN       ARG  67   1.583   9.555   3.937
  478    HA   ARG  67           HA       ARG  67   3.204   9.085   6.308
  479    HB2  ARG  67           HB2      ARG  67   0.479  10.305   6.008
  480    HB3  ARG  67           HB1      ARG  67   1.064   9.698   7.548
  481    HG2  ARG  67           HG2      ARG  67   2.953  11.248   7.431
  482    HG3  ARG  67           HG1      ARG  67   2.331  11.870   5.898
  483    HD2  ARG  67           HD2      ARG  67   0.761  11.873   8.460
  484    HD3  ARG  67           HD1      ARG  67   1.764  13.224   7.940
  485    HE   ARG  67           HE       ARG  67   0.347  13.310   5.942
  486   HH11  ARG  67          HH11      ARG  67  -1.036  11.570   8.693
  487   HH12  ARG  67          HH12      ARG  67  -2.595  12.218   8.534
  488   HH21  ARG  67          HH21      ARG  67  -1.779  14.198   5.694
  489   HH22  ARG  67          HH22      ARG  67  -3.085  13.702   6.695
  490    H    VAL  68           HN       VAL  68   1.973   7.202   4.082
  491    HA   VAL  68           HA       VAL  68   0.511   5.533   5.908
  492    HB   VAL  68           HB       VAL  68   0.279   3.820   4.089
  493   HG11  VAL  68          HG11      VAL  68  -1.191   5.115   2.628
  494   HG12  VAL  68          HG12      VAL  68  -0.520   6.599   3.310
  495   HG13  VAL  68          HG13      VAL  68  -1.417   5.484   4.336
  496   HG21  VAL  68          HG21      VAL  68   0.871   4.380   1.792
  497   HG22  VAL  68          HG22      VAL  68   2.317   4.234   2.802
  498   HG23  VAL  68          HG23      VAL  68   1.699   5.829   2.348
  499    H    ASP  69           HN       ASP  69   1.932   5.554   7.332
  500    HA   ASP  69           HA       ASP  69   4.530   4.969   7.643
  501    HB2  ASP  69           HB2      ASP  69   2.904   5.776   9.320
  502    HB3  ASP  69           HB1      ASP  69   2.301   4.143   9.487
  503    H    THR  70           HN       THR  70   1.967   2.502   7.695
  504    HA   THR  70           HA       THR  70   4.015   0.465   7.226
  505    HB   THR  70           HB       THR  70   2.580  -1.074   8.589
  506    HG1  THR  70           HG1      THR  70   1.178   0.252  10.128
  507   HG21  THR  70          HG21      THR  70   4.577  -0.052   9.602
  508   HG22  THR  70          HG22      THR  70   3.292  -0.214  10.801
  509   HG23  THR  70          HG23      THR  70   3.620   1.357  10.063
  510    HA   PRO  71           HA       PRO  71   1.333  -1.012   3.904
  511    HB2  PRO  71           HB2      PRO  71   1.293  -3.667   5.284
  512    HB3  PRO  71           HB1      PRO  71   1.694  -3.287   3.602
  513    HG2  PRO  71           HG2      PRO  71   3.629  -3.869   5.291
  514    HG3  PRO  71           HG1      PRO  71   3.828  -2.524   4.149
  515    HD2  PRO  71           HD2      PRO  71   3.164  -2.446   7.070
  516    HD3  PRO  71           HD1      PRO  71   4.278  -1.418   6.140
  517    H    ARG  72           HN       ARG  72   0.630  -1.843   7.209
  518    HA   ARG  72           HA       ARG  72  -2.084  -2.435   7.090
  519    HB2  ARG  72           HB2      ARG  72  -0.864  -2.761   9.128
  520    HB3  ARG  72           HB1      ARG  72  -0.450  -1.055   9.215
  521    HG2  ARG  72           HG2      ARG  72  -2.768  -0.484   9.631
  522    HG3  ARG  72           HG1      ARG  72  -3.236  -2.179   9.462
  523    HD2  ARG  72           HD2      ARG  72  -1.337  -1.084  11.527
  524    HD3  ARG  72           HD1      ARG  72  -3.029  -1.505  11.813
  525    HE   ARG  72           HE       ARG  72  -2.336  -3.790  11.021
  526   HH11  ARG  72          HH11      ARG  72   0.000  -1.651  12.607
  527   HH12  ARG  72          HH12      ARG  72   0.860  -2.947  13.338
  528   HH21  ARG  72          HH21      ARG  72  -1.208  -5.501  12.064
  529   HH22  ARG  72          HH22      ARG  72   0.185  -5.161  13.004
  530    H    GLU  73           HN       GLU  73  -0.465   0.680   7.663
  531    HA   GLU  73           HA       GLU  73  -2.728   2.288   7.777
  532    HB2  GLU  73           HB2      GLU  73   0.033   2.981   6.767
  533    HB3  GLU  73           HB1      GLU  73  -1.228   4.160   7.094
  534    HG2  GLU  73           HG2      GLU  73  -0.024   2.290   9.119
  535    HG3  GLU  73           HG1      GLU  73   0.407   3.986   8.905
  536    H    LEU  74           HN       LEU  74  -0.793   1.397   4.963
  537    HA   LEU  74           HA       LEU  74  -2.127   2.994   3.063
  538    HB2  LEU  74           HB2      LEU  74   0.091   1.542   2.914
  539    HB3  LEU  74           HB1      LEU  74  -1.021   0.306   2.363
  540    HG   LEU  74           HG       LEU  74  -0.669   2.959   0.966
  541   HD11  LEU  74          HD11      LEU  74   0.571   0.285   0.345
  542   HD12  LEU  74          HD12      LEU  74   1.412   1.732   0.907
  543   HD13  LEU  74          HD13      LEU  74   0.649   1.718  -0.680
  544   HD21  LEU  74          HD21      LEU  74  -1.953   0.374   0.059
  545   HD22  LEU  74          HD22      LEU  74  -1.767   1.833  -0.913
  546   HD23  LEU  74          HD23      LEU  74  -2.812   1.848   0.508
  547    H    LEU  75           HN       LEU  75  -2.614  -0.437   3.926
  548    HA   LEU  75           HA       LEU  75  -4.836  -0.800   2.211
  549    HB2  LEU  75           HB2      LEU  75  -3.509  -2.692   2.921
  550    HB3  LEU  75           HB1      LEU  75  -3.898  -2.385   4.599
  551    HG   LEU  75           HG       LEU  75  -6.244  -2.993   4.175
  552   HD11  LEU  75          HD11      LEU  75  -6.930  -3.979   2.079
  553   HD12  LEU  75          HD12      LEU  75  -5.341  -3.674   1.374
  554   HD13  LEU  75          HD13      LEU  75  -6.388  -2.329   1.836
  555   HD21  LEU  75          HD21      LEU  75  -5.895  -5.385   3.815
  556   HD22  LEU  75          HD22      LEU  75  -4.681  -4.713   4.907
  557   HD23  LEU  75          HD23      LEU  75  -4.265  -5.057   3.226
  558    H    ASP  76           HN       ASP  76  -4.530   0.215   5.536
  559    HA   ASP  76           HA       ASP  76  -7.241  -0.200   6.266
  560    HB2  ASP  76           HB2      ASP  76  -5.457  -0.114   7.929
  561    HB3  ASP  76           HB1      ASP  76  -5.126   1.559   7.508
  562    H    LEU  77           HN       LEU  77  -5.416   2.566   5.120
  563    HA   LEU  77           HA       LEU  77  -7.525   4.416   5.275
  564    HB2  LEU  77           HB2      LEU  77  -5.154   4.328   3.426
  565    HB3  LEU  77           HB1      LEU  77  -6.240   5.690   3.569
  566    HG   LEU  77           HG       LEU  77  -4.394   4.624   5.697
  567   HD11  LEU  77          HD11      LEU  77  -3.295   6.788   5.469
  568   HD12  LEU  77          HD12      LEU  77  -4.402   7.210   4.166
  569   HD13  LEU  77          HD13      LEU  77  -3.265   5.881   3.960
  570   HD21  LEU  77          HD21      LEU  77  -5.141   6.518   7.062
  571   HD22  LEU  77          HD22      LEU  77  -6.467   5.409   6.707
  572   HD23  LEU  77          HD23      LEU  77  -6.333   6.931   5.829
  573    H    ILE  78           HN       ILE  78  -6.491   2.199   2.742
  574    HA   ILE  78           HA       ILE  78  -8.452   3.061   0.894
  575    HB   ILE  78           HB       ILE  78  -6.845   0.483   0.992
  576   HG12  ILE  78          HG12      ILE  78  -6.664   3.001  -0.656
  577   HG13  ILE  78          HG11      ILE  78  -5.492   2.408   0.522
  578   HG21  ILE  78          HG21      ILE  78  -7.611   0.042  -1.288
  579   HG22  ILE  78          HG22      ILE  78  -8.700   1.428  -1.192
  580   HG23  ILE  78          HG23      ILE  78  -8.955   0.033  -0.146
  581   HD11  ILE  78          HD11      ILE  78  -6.275   1.048  -1.996
  582   HD12  ILE  78          HD12      ILE  78  -4.940   0.565  -0.917
  583   HD13  ILE  78          HD13      ILE  78  -4.846   2.076  -1.852
  584    H    ASN  79           HN       ASN  79  -8.363   0.589   3.361
  585    HA   ASN  79           HA       ASN  79 -10.883  -0.519   2.738
  586    HB2  ASN  79           HB2      ASN  79  -9.128  -0.631   5.146
  587    HB3  ASN  79           HB1      ASN  79 -10.779  -1.207   5.278
  588   HD21  ASN  79          HD21      ASN  79  -8.948  -1.511   2.331
  589   HD22  ASN  79          HD22      ASN  79  -8.727  -3.223   2.413
  590    H    GLY  80           HN       GLY  80  -9.948   2.284   4.495
  591    HA2  GLY  80           HA2      GLY  80 -12.487   2.738   5.707
  592    HA3  GLY  80           HA1      GLY  80 -11.196   3.919   5.503
  593    H    ALA  81           HN       ALA  81 -10.889   3.786   2.757
  594    HA   ALA  81           HA       ALA  81 -13.009   5.500   1.917
  595    HB1  ALA  81           HB1      ALA  81 -10.726   4.334   0.327
  596    HB2  ALA  81           HB2      ALA  81 -10.693   5.857   1.213
  597    HB3  ALA  81           HB3      ALA  81 -11.764   5.669  -0.176
  598    H    LEU  82           HN       LEU  82 -12.004   2.215   1.137
  599    HA   LEU  82           HA       LEU  82 -13.980   1.744  -0.832
  600    HB2  LEU  82           HB2      LEU  82 -12.229  -0.105   0.754
  601    HB3  LEU  82           HB1      LEU  82 -13.429  -0.711  -0.354
  602    HG   LEU  82           HG       LEU  82 -10.923   0.882  -1.096
  603   HD11  LEU  82          HD11      LEU  82 -11.825  -1.909  -1.679
  604   HD12  LEU  82          HD12      LEU  82 -10.572  -1.430  -0.535
  605   HD13  LEU  82          HD13      LEU  82 -10.357  -1.126  -2.259
  606   HD21  LEU  82          HD21      LEU  82 -11.689   0.655  -3.385
  607   HD22  LEU  82          HD22      LEU  82 -12.900   1.550  -2.468
  608   HD23  LEU  82          HD23      LEU  82 -13.162  -0.154  -2.852
  609    H    ALA  83           HN       ALA  83 -14.328   2.091   2.445
  610    HA   ALA  83           HA       ALA  83 -16.471   0.230   2.823
  611    HB1  ALA  83           HB1      ALA  83 -16.887   1.482   4.897
  612    HB2  ALA  83           HB2      ALA  83 -15.746   2.721   4.375
  613    HB3  ALA  83           HB3      ALA  83 -15.175   1.088   4.726
  614    H    GLU  84           HN       GLU  84 -16.036   3.336   1.501
  615    HA   GLU  84           HA       GLU  84 -18.921   3.855   1.318
  616    HB2  GLU  84           HB2      GLU  84 -17.549   5.633   2.336
  617    HB3  GLU  84           HB1      GLU  84 -16.538   5.679   0.903
  618    HG2  GLU  84           HG2      GLU  84 -18.458   6.440  -0.408
  619    HG3  GLU  84           HG1      GLU  84 -19.453   6.411   1.048
  620    H    ALA  85           HN       ALA  85 -15.904   3.880  -0.572
  621    HA   ALA  85           HA       ALA  85 -17.342   4.078  -3.076
  622    HB1  ALA  85           HB1      ALA  85 -15.125   4.239  -4.069
  623    HB2  ALA  85           HB2      ALA  85 -14.391   3.888  -2.504
  624    HB3  ALA  85           HB3      ALA  85 -15.303   5.380  -2.737
  625    H    ALA  86           HN       ALA  86 -17.518   2.471  -4.555
  626    HA   ALA  86           HA       ALA  86 -16.061   0.010  -4.264
  627    HB1  ALA  86           HB1      ALA  86 -18.065  -0.417  -2.894
  628    HB2  ALA  86           HB2      ALA  86 -18.112  -1.364  -4.380
  629    HB3  ALA  86           HB3      ALA  86 -19.093   0.093  -4.233
  630    H28  SXM  87          H28A      SXM  87   6.385  11.078  -1.699
  631   H28A  SXM  87          H28B      SXM  87   6.112  12.305  -0.457
  632    H30  SXM  87          H30A      SXM  87   4.271  12.592  -2.375
  633   H30A  SXM  87          H30B      SXM  87   4.600  14.202  -3.021
  634   H30B  SXM  87          H30C      SXM  87   4.742  13.900  -1.289
  635    H31  SXM  87          H31C      SXM  87   8.222  14.161  -2.218
  636   H31A  SXM  87          H31A      SXM  87   6.865  14.856  -1.352
  637   H31B  SXM  87          H31B      SXM  87   6.986  15.058  -3.096
  638    H32  SXM  87          H32A      SXM  87   6.746  13.339  -4.621
  639   HO33  SXM  87          H33A      SXM  87   5.723  11.015  -4.688
  640   HN36  SXM  87          H36A      SXM  87   8.999  12.609  -3.129
  641    H37  SXM  87          H37B      SXM  87   9.954  10.225  -4.550
  642   H37A  SXM  87          H37A      SXM  87  10.011  10.265  -2.776
  643    H38  SXM  87          H38A      SXM  87  11.346  12.412  -2.931
  644   H38A  SXM  87          H38B      SXM  87  12.099  10.913  -3.327
  645   HN41  SXM  87          H41A      SXM  87  11.341  10.337  -5.799
  646    H42  SXM  87          H42A      SXM  87  11.138  11.775  -7.917
  647   H42A  SXM  87          H42B      SXM  87  12.776  12.270  -7.452
  648    H43  SXM  87          H43A      SXM  87  11.850   9.435  -7.869
  649   H43A  SXM  87          H43B      SXM  87  13.535   9.975  -7.671
  650    H2   SXM  87           H2A      SXM  87  12.729   9.317 -12.119
  651    H2A  SXM  87           H2B      SXM  87  12.824   7.596 -11.768
  Start of MODEL    5
    1    H1   MET   1           HT1      MET   1 -17.342  -0.814  -6.862
    2    H2   MET   1           HT2      MET   1 -16.324   0.406  -7.476
    3    H3   MET   1           HT3      MET   1 -16.066  -0.257  -5.949
    4    HA   MET   1           HA       MET   1 -15.991  -1.939  -8.355
    5    HB2  MET   1           HB2      MET   1 -13.646  -0.806  -6.784
    6    HB3  MET   1           HB1      MET   1 -13.524  -1.993  -8.068
    7    HG2  MET   1           HG2      MET   1 -14.517   0.831  -8.385
    8    HG3  MET   1           HG1      MET   1 -12.898   0.264  -8.781
    9    HE1  MET   1           HE1      MET   1 -13.583  -2.152 -11.781
   10    HE2  MET   1           HE2      MET   1 -13.460  -2.582 -10.076
   11    HE3  MET   1           HE3      MET   1 -12.349  -1.401 -10.767
   12    H    ALA   2           HN       ALA   2 -14.552  -1.626  -5.065
   13    HA   ALA   2           HA       ALA   2 -15.730  -4.128  -4.276
   14    HB1  ALA   2           HB1      ALA   2 -13.575  -5.153  -3.700
   15    HB2  ALA   2           HB2      ALA   2 -12.732  -3.790  -4.438
   16    HB3  ALA   2           HB3      ALA   2 -13.704  -4.873  -5.436
   17    H    THR   3           HN       THR   3 -15.540  -4.420  -1.973
   18    HA   THR   3           HA       THR   3 -14.872  -1.930  -0.595
   19    HB   THR   3           HB       THR   3 -16.434  -2.875   1.196
   20    HG1  THR   3           HG1      THR   3 -17.237  -4.771   0.858
   21   HG21  THR   3          HG21      THR   3 -17.110  -1.065  -0.297
   22   HG22  THR   3          HG22      THR   3 -18.464  -2.156   0.001
   23   HG23  THR   3          HG23      THR   3 -17.581  -2.241  -1.524
   24    H    LEU   4           HN       LEU   4 -13.076  -1.972   0.525
   25    HA   LEU   4           HA       LEU   4 -11.347  -2.490   1.736
   26    HB2  LEU   4           HB2      LEU   4 -13.080  -4.745   2.589
   27    HB3  LEU   4           HB1      LEU   4 -11.484  -4.556   3.292
   28    HG   LEU   4           HG       LEU   4 -12.385  -2.167   3.823
   29   HD11  LEU   4          HD11      LEU   4 -14.885  -3.771   3.614
   30   HD12  LEU   4          HD12      LEU   4 -14.444  -2.366   2.638
   31   HD13  LEU   4          HD13      LEU   4 -14.783  -2.173   4.371
   32   HD21  LEU   4          HD21      LEU   4 -13.217  -4.615   5.374
   33   HD22  LEU   4          HD22      LEU   4 -13.177  -2.973   6.014
   34   HD23  LEU   4          HD23      LEU   4 -11.682  -3.760   5.507
   35    H    LEU   5           HN       LEU   5  -9.407  -3.206   1.357
   36    HA   LEU   5           HA       LEU   5  -9.114  -5.132  -0.798
   37    HB2  LEU   5           HB2      LEU   5  -7.158  -3.160   0.411
   38    HB3  LEU   5           HB1      LEU   5  -6.661  -4.446  -0.678
   39    HG   LEU   5           HG       LEU   5  -8.513  -2.163  -1.266
   40   HD11  LEU   5          HD11      LEU   5  -6.146  -1.579  -1.146
   41   HD12  LEU   5          HD12      LEU   5  -6.728  -1.520  -2.810
   42   HD13  LEU   5          HD13      LEU   5  -5.760  -2.887  -2.260
   43   HD21  LEU   5          HD21      LEU   5  -9.244  -4.187  -2.388
   44   HD22  LEU   5          HD22      LEU   5  -7.610  -4.452  -2.994
   45   HD23  LEU   5          HD23      LEU   5  -8.537  -3.052  -3.539
   46    H    THR   6           HN       THR   6  -7.509  -6.783  -0.729
   47    HA   THR   6           HA       THR   6  -7.529  -8.091   1.840
   48    HB   THR   6           HB       THR   6  -6.646 -10.030   0.633
   49    HG1  THR   6           HG1      THR   6  -6.790  -8.607  -1.842
   50   HG21  THR   6          HG21      THR   6  -9.084  -9.681   0.589
   51   HG22  THR   6          HG22      THR   6  -8.527 -10.431  -0.909
   52   HG23  THR   6          HG23      THR   6  -8.921  -8.712  -0.878
   53    H    THR   7           HN       THR   7  -5.356  -9.415   2.123
   54    HA   THR   7           HA       THR   7  -3.295  -7.450   2.427
   55    HB   THR   7           HB       THR   7  -3.090 -10.409   3.038
   56    HG1  THR   7           HG1      THR   7  -4.895  -9.878   4.080
   57   HG21  THR   7          HG21      THR   7  -1.926  -7.934   4.340
   58   HG22  THR   7          HG22      THR   7  -1.053  -9.030   3.274
   59   HG23  THR   7          HG23      THR   7  -1.626  -9.598   4.847
   60    H    ASP   8           HN       ASP   8  -4.235  -9.825   0.148
   61    HA   ASP   8           HA       ASP   8  -1.633 -10.337  -0.955
   62    HB2  ASP   8           HB2      ASP   8  -4.399 -11.000  -1.975
   63    HB3  ASP   8           HB1      ASP   8  -2.921 -11.441  -2.818
   64    H    ASP   9           HN       ASP   9  -4.420  -8.370  -1.765
   65    HA   ASP   9           HA       ASP   9  -3.470  -7.296  -4.188
   66    HB2  ASP   9           HB2      ASP   9  -5.296  -6.058  -2.116
   67    HB3  ASP   9           HB1      ASP   9  -4.890  -5.245  -3.620
   68    H    LEU  10           HN       LEU  10  -3.048  -6.275  -0.906
   69    HA   LEU  10           HA       LEU  10  -1.494  -3.982  -1.383
   70    HB2  LEU  10           HB2      LEU  10  -2.666  -4.457   0.716
   71    HB3  LEU  10           HB1      LEU  10  -1.607  -5.819   1.003
   72    HG   LEU  10           HG       LEU  10   0.297  -4.280   1.248
   73   HD11  LEU  10          HD11      LEU  10  -0.492  -2.478  -0.194
   74   HD12  LEU  10          HD12      LEU  10  -0.107  -1.875   1.422
   75   HD13  LEU  10          HD13      LEU  10  -1.788  -2.124   0.947
   76   HD21  LEU  10          HD21      LEU  10  -2.091  -3.632   2.960
   77   HD22  LEU  10          HD22      LEU  10  -0.407  -3.320   3.385
   78   HD23  LEU  10          HD23      LEU  10  -0.981  -4.982   3.194
   79    H    ARG  11           HN       ARG  11  -0.628  -7.353  -0.616
   80    HA   ARG  11           HA       ARG  11   2.116  -7.068  -0.530
   81    HB2  ARG  11           HB2      ARG  11   1.163  -9.113   0.269
   82    HB3  ARG  11           HB1      ARG  11   0.469  -9.478  -1.309
   83    HG2  ARG  11           HG2      ARG  11   2.621  -9.906  -2.244
   84    HG3  ARG  11           HG1      ARG  11   3.427  -9.293  -0.805
   85    HD2  ARG  11           HD2      ARG  11   3.465 -11.740  -0.916
   86    HD3  ARG  11           HD1      ARG  11   2.607 -11.146   0.494
   87    HE   ARG  11           HE       ARG  11   0.629 -11.590  -1.334
   88   HH11  ARG  11          HH11      ARG  11   3.335 -13.580  -0.339
   89   HH12  ARG  11          HH12      ARG  11   2.482 -15.049  -0.307
   90   HH21  ARG  11          HH21      ARG  11  -0.675 -13.619  -1.182
   91   HH22  ARG  11          HH22      ARG  11   0.128 -15.039  -0.731
   92    H    ARG  12           HN       ARG  12   0.254  -8.173  -3.385
   93    HA   ARG  12           HA       ARG  12   2.505  -8.270  -5.057
   94    HB2  ARG  12           HB2      ARG  12  -0.427  -8.179  -5.614
   95    HB3  ARG  12           HB1      ARG  12   0.707  -7.978  -6.938
   96    HG2  ARG  12           HG2      ARG  12   0.762 -10.330  -5.055
   97    HG3  ARG  12           HG1      ARG  12  -0.134 -10.314  -6.577
   98    HD2  ARG  12           HD2      ARG  12   2.889  -9.956  -6.303
   99    HD3  ARG  12           HD1      ARG  12   2.038 -11.387  -6.878
  100    HE   ARG  12           HE       ARG  12   1.092  -9.494  -8.495
  101   HH11  ARG  12          HH11      ARG  12   4.341 -10.695  -7.815
  102   HH12  ARG  12          HH12      ARG  12   5.078  -9.977  -9.164
  103   HH21  ARG  12          HH21      ARG  12   2.025  -8.525 -10.360
  104   HH22  ARG  12          HH22      ARG  12   3.683  -8.691 -10.706
  105    H    ALA  13           HN       ALA  13   0.412  -5.579  -4.304
  106    HA   ALA  13           HA       ALA  13   1.400  -3.864  -6.311
  107    HB1  ALA  13           HB1      ALA  13  -0.672  -3.401  -5.081
  108    HB2  ALA  13           HB2      ALA  13   0.454  -2.046  -4.972
  109    HB3  ALA  13           HB3      ALA  13   0.264  -3.149  -3.608
  110    H    LEU  14           HN       LEU  14   2.370  -4.418  -2.940
  111    HA   LEU  14           HA       LEU  14   4.505  -2.584  -2.873
  112    HB2  LEU  14           HB2      LEU  14   4.045  -5.119  -1.309
  113    HB3  LEU  14           HB1      LEU  14   5.349  -4.000  -0.987
  114    HG   LEU  14           HG       LEU  14   2.410  -3.355  -0.753
  115   HD11  LEU  14          HD11      LEU  14   4.505  -3.887   1.345
  116   HD12  LEU  14          HD12      LEU  14   3.172  -4.954   0.926
  117   HD13  LEU  14          HD13      LEU  14   2.845  -3.376   1.655
  118   HD21  LEU  14          HD21      LEU  14   4.871  -1.789   0.007
  119   HD22  LEU  14          HD22      LEU  14   3.205  -1.323   0.348
  120   HD23  LEU  14          HD23      LEU  14   3.772  -1.415  -1.321
  121    H    VAL  15           HN       VAL  15   4.287  -5.947  -3.757
  122    HA   VAL  15           HA       VAL  15   6.970  -6.613  -4.093
  123    HB   VAL  15           HB       VAL  15   4.486  -7.591  -5.551
  124   HG11  VAL  15          HG11      VAL  15   6.436  -7.990  -6.977
  125   HG12  VAL  15          HG12      VAL  15   5.800  -9.498  -6.319
  126   HG13  VAL  15          HG13      VAL  15   7.256  -8.778  -5.628
  127   HG21  VAL  15          HG21      VAL  15   4.578  -8.094  -3.179
  128   HG22  VAL  15          HG22      VAL  15   6.175  -8.817  -3.376
  129   HG23  VAL  15          HG23      VAL  15   4.768  -9.564  -4.133
  130    H    GLU  16           HN       GLU  16   4.713  -5.472  -6.615
  131    HA   GLU  16           HA       GLU  16   6.646  -5.275  -8.664
  132    HB2  GLU  16           HB2      GLU  16   4.058  -3.772  -8.400
  133    HB3  GLU  16           HB1      GLU  16   4.997  -3.972  -9.864
  134    HG2  GLU  16           HG2      GLU  16   4.577  -6.394  -9.755
  135    HG3  GLU  16           HG1      GLU  16   3.554  -6.121  -8.341
  136    H    SER  17           HN       SER  17   5.334  -2.855  -6.421
  137    HA   SER  17           HA       SER  17   6.606  -0.697  -7.769
  138    HB2  SER  17           HB2      SER  17   5.279  -0.714  -5.067
  139    HB3  SER  17           HB1      SER  17   5.619   0.691  -6.078
  140    HG   SER  17           HG       SER  17   3.706  -1.275  -6.299
  141    H    ALA  18           HN       ALA  18   7.743  -2.937  -5.519
  142    HA   ALA  18           HA       ALA  18   9.320  -1.520  -3.747
  143    HB1  ALA  18           HB1      ALA  18   9.959  -4.173  -5.010
  144    HB2  ALA  18           HB2      ALA  18   8.937  -3.916  -3.598
  145    HB3  ALA  18           HB3      ALA  18  10.658  -3.539  -3.521
  146    H    GLY  19           HN       GLY  19   9.988  -2.360  -7.056
  147    HA2  GLY  19           HA2      GLY  19  11.628  -0.269  -7.609
  148    HA3  GLY  19           HA1      GLY  19  12.698  -1.550  -7.041
  149    H    GLU  20           HN       GLU  20  12.330  -3.653  -8.006
  150    HA   GLU  20           HA       GLU  20  12.086  -3.332 -10.906
  151    HB2  GLU  20           HB2      GLU  20  13.360  -5.401 -11.047
  152    HB3  GLU  20           HB1      GLU  20  14.202  -4.247 -10.022
  153    HG2  GLU  20           HG2      GLU  20  13.229  -5.439  -8.037
  154    HG3  GLU  20           HG1      GLU  20  12.613  -6.646  -9.157
  155    H    THR  21           HN       THR  21  11.296  -5.441 -11.960
  156    HA   THR  21           HA       THR  21   8.697  -6.094 -11.186
  157    HB   THR  21           HB       THR  21   9.403  -6.390 -13.489
  158    HG1  THR  21           HG1      THR  21   8.985  -9.034 -12.605
  159   HG21  THR  21          HG21      THR  21  11.762  -6.968 -13.183
  160   HG22  THR  21          HG22      THR  21  10.975  -8.163 -14.215
  161   HG23  THR  21          HG23      THR  21  11.308  -8.541 -12.525
  162    H    ASP  22           HN       ASP  22   8.182  -7.046  -9.379
  163    HA   ASP  22           HA       ASP  22   8.228  -8.165  -7.452
  164    HB2  ASP  22           HB2      ASP  22   9.752 -10.264  -9.071
  165    HB3  ASP  22           HB1      ASP  22   9.297 -10.469  -7.381
  166    H    GLY  23           HN       GLY  23   9.531  -6.211  -7.159
  167    HA2  GLY  23           HA2      GLY  23  12.315  -6.245  -6.894
  168    HA3  GLY  23           HA1      GLY  23  11.235  -5.112  -6.100
  169    H    THR  24           HN       THR  24   9.809  -7.201  -4.715
  170    HA   THR  24           HA       THR  24  11.602  -8.689  -3.193
  171    HB   THR  24           HB       THR  24  11.985  -6.403  -2.175
  172    HG1  THR  24           HG1      THR  24  11.823  -7.041  -0.110
  173   HG21  THR  24          HG21      THR  24   9.765  -5.431  -2.520
  174   HG22  THR  24          HG22      THR  24  10.205  -5.372  -0.811
  175   HG23  THR  24          HG23      THR  24   9.071  -6.592  -1.388
  176    H    ASP  25           HN       ASP  25   9.938  -9.115  -1.045
  177    HA   ASP  25           HA       ASP  25   7.263  -9.506  -1.997
  178    HB2  ASP  25           HB2      ASP  25   8.218 -11.513  -2.931
  179    HB3  ASP  25           HB1      ASP  25   9.107 -11.845  -1.448
  180    H    LEU  26           HN       LEU  26   5.877  -9.910  -0.327
  181    HA   LEU  26           HA       LEU  26   7.037  -9.543   2.313
  182    HB2  LEU  26           HB2      LEU  26   4.676  -8.032   1.168
  183    HB3  LEU  26           HB1      LEU  26   5.071  -8.065   2.867
  184    HG   LEU  26           HG       LEU  26   5.797  -6.004   2.089
  185   HD11  LEU  26          HD11      LEU  26   7.380  -6.991   3.557
  186   HD12  LEU  26          HD12      LEU  26   8.210  -5.997   2.362
  187   HD13  LEU  26          HD13      LEU  26   8.218  -7.754   2.206
  188   HD21  LEU  26          HD21      LEU  26   7.188  -7.371  -0.219
  189   HD22  LEU  26          HD22      LEU  26   7.265  -5.647   0.144
  190   HD23  LEU  26          HD23      LEU  26   5.728  -6.382  -0.313
  191    H    SER  27           HN       SER  27   6.751 -11.736   2.482
  192    HA   SER  27           HA       SER  27   3.973 -12.591   2.796
  193    HB2  SER  27           HB2      SER  27   5.018 -14.891   2.382
  194    HB3  SER  27           HB1      SER  27   4.879 -13.797   1.001
  195    HG   SER  27           HG       SER  27   6.920 -13.767   0.831
  196    H    GLY  28           HN       GLY  28   3.573 -14.055   4.520
  197    HA2  GLY  28           HA2      GLY  28   3.909 -15.017   6.598
  198    HA3  GLY  28           HA1      GLY  28   5.615 -14.614   6.461
  199    H    ASP  29           HN       ASP  29   2.871 -12.450   6.234
  200    HA   ASP  29           HA       ASP  29   2.064 -10.789   7.449
  201    HB2  ASP  29           HB2      ASP  29   1.974 -12.178   9.429
  202    HB3  ASP  29           HB1      ASP  29   3.682 -11.888   9.752
  203    H    PHE  30           HN       PHE  30   2.476  -8.834   7.024
  204    HA   PHE  30           HA       PHE  30   5.130  -7.704   7.557
  205    HB2  PHE  30           HB2      PHE  30   5.221  -6.769   5.294
  206    HB3  PHE  30           HB1      PHE  30   5.161  -8.527   5.253
  207    HD1  PHE  30           HD2      PHE  30   2.998  -9.663   4.637
  208    HD2  PHE  30           HD1      PHE  30   3.550  -5.465   4.218
  209    HE1  PHE  30           HE2      PHE  30   1.068  -9.560   3.118
  210    HE2  PHE  30           HE1      PHE  30   1.620  -5.361   2.707
  211    HZ   PHE  30           HZ       PHE  30   0.416  -7.418   2.105
  212    H    LEU  31           HN       LEU  31   2.110  -7.414   8.388
  213    HA   LEU  31           HA       LEU  31   1.360  -4.903   7.240
  214    HB2  LEU  31           HB2      LEU  31   0.083  -6.479   9.463
  215    HB3  LEU  31           HB1      LEU  31  -0.589  -5.011   8.774
  216    HG   LEU  31           HG       LEU  31  -0.125  -7.591   7.274
  217   HD11  LEU  31          HD11      LEU  31  -1.955  -7.762   8.868
  218   HD12  LEU  31          HD12      LEU  31  -2.556  -7.738   7.210
  219   HD13  LEU  31          HD13      LEU  31  -2.674  -6.293   8.212
  220   HD21  LEU  31          HD21      LEU  31   0.127  -5.630   5.839
  221   HD22  LEU  31          HD22      LEU  31  -1.430  -5.014   6.397
  222   HD23  LEU  31          HD23      LEU  31  -1.357  -6.505   5.459
  223    H    ASP  32           HN       ASP  32   3.002  -5.827  10.118
  224    HA   ASP  32           HA       ASP  32   2.749  -3.125  11.230
  225    HB2  ASP  32           HB2      ASP  32   2.348  -5.022  12.751
  226    HB3  ASP  32           HB1      ASP  32   3.943  -5.660  12.389
  227    H    LEU  33           HN       LEU  33   4.695  -4.838   9.156
  228    HA   LEU  33           HA       LEU  33   7.275  -4.078  10.029
  229    HB2  LEU  33           HB2      LEU  33   6.573  -6.119   8.619
  230    HB3  LEU  33           HB1      LEU  33   6.423  -4.988   7.289
  231    HG   LEU  33           HG       LEU  33   8.695  -4.453   7.372
  232   HD11  LEU  33          HD11      LEU  33   9.127  -4.770   9.781
  233   HD12  LEU  33          HD12      LEU  33  10.254  -5.730   8.825
  234   HD13  LEU  33          HD13      LEU  33   8.873  -6.505   9.599
  235   HD21  LEU  33          HD21      LEU  33   8.154  -7.413   7.338
  236   HD22  LEU  33          HD22      LEU  33   9.571  -6.637   6.628
  237   HD23  LEU  33          HD23      LEU  33   7.958  -6.292   5.993
  238    H    ARG  34           HN       ARG  34   7.769  -2.033  10.032
  239    HA   ARG  34           HA       ARG  34   6.545   0.040   8.595
  240    HB2  ARG  34           HB2      ARG  34   9.263  -0.040   9.939
  241    HB3  ARG  34           HB1      ARG  34   8.397   1.420   9.467
  242    HG2  ARG  34           HG2      ARG  34   6.650   0.979  11.052
  243    HG3  ARG  34           HG1      ARG  34   7.327  -0.601  11.426
  244    HD2  ARG  34           HD2      ARG  34   7.824   1.005  13.189
  245    HD3  ARG  34           HD1      ARG  34   9.302   0.474  12.394
  246    HE   ARG  34           HE       ARG  34   9.235   2.628  11.175
  247   HH11  ARG  34          HH11      ARG  34   7.417   2.436  14.237
  248   HH12  ARG  34          HH12      ARG  34   7.633   4.090  14.584
  249   HH21  ARG  34          HH21      ARG  34   9.467   4.758  11.625
  250   HH22  ARG  34          HH22      ARG  34   8.763   5.507  13.007
  251    H    PHE  35           HN       PHE  35   7.080   1.076   6.734
  252    HA   PHE  35           HA       PHE  35   8.346  -0.374   4.707
  253    HB2  PHE  35           HB2      PHE  35   7.536   2.523   4.825
  254    HB3  PHE  35           HB1      PHE  35   8.239   1.803   3.381
  255    HD1  PHE  35           HD2      PHE  35   7.017  -0.525   2.702
  256    HD2  PHE  35           HD1      PHE  35   5.293   2.636   4.939
  257    HE1  PHE  35           HE2      PHE  35   4.788  -1.290   2.051
  258    HE2  PHE  35           HE1      PHE  35   3.045   1.875   4.296
  259    HZ   PHE  35           HZ       PHE  35   2.837  -0.176   2.794
  260    H    GLU  36           HN       GLU  36   9.683   1.712   6.981
  261    HA   GLU  36           HA       GLU  36  12.094   2.513   5.775
  262    HB2  GLU  36           HB2      GLU  36  11.656   1.755   8.655
  263    HB3  GLU  36           HB1      GLU  36  12.881   2.840   8.015
  264    HG2  GLU  36           HG2      GLU  36  11.231   4.468   7.448
  265    HG3  GLU  36           HG1      GLU  36   9.922   3.368   7.872
  266    H    ASP  37           HN       ASP  37  11.081  -0.443   7.417
  267    HA   ASP  37           HA       ASP  37  13.643  -1.627   7.736
  268    HB2  ASP  37           HB2      ASP  37  11.798  -2.374   9.117
  269    HB3  ASP  37           HB1      ASP  37  10.887  -2.878   7.697
  270    H    ILE  38           HN       ILE  38  11.098  -1.981   5.318
  271    HA   ILE  38           HA       ILE  38  12.741  -3.877   3.897
  272    HB   ILE  38           HB       ILE  38  10.836  -4.199   2.369
  273   HG12  ILE  38          HG12      ILE  38   9.450  -2.071   4.035
  274   HG13  ILE  38          HG11      ILE  38   9.989  -1.908   2.364
  275   HG21  ILE  38          HG21      ILE  38  10.009  -4.235   5.287
  276   HG22  ILE  38          HG22      ILE  38  10.908  -5.500   4.455
  277   HG23  ILE  38          HG23      ILE  38   9.245  -5.144   3.998
  278   HD11  ILE  38          HD11      ILE  38   7.578  -2.299   2.487
  279   HD12  ILE  38          HD12      ILE  38   7.869  -3.810   3.346
  280   HD13  ILE  38          HD13      ILE  38   8.402  -3.631   1.678
  281    H    GLY  39           HN       GLY  39  13.207  -0.897   4.145
  282    HA2  GLY  39           HA2      GLY  39  14.240   0.754   2.928
  283    HA3  GLY  39           HA1      GLY  39  14.692  -0.525   1.809
  284    H    TYR  40           HN       TYR  40  11.517   0.727   2.672
  285    HA   TYR  40           HA       TYR  40  10.932   0.868  -0.158
  286    HB2  TYR  40           HB2      TYR  40   9.490  -0.038   1.994
  287    HB3  TYR  40           HB1      TYR  40   8.823   1.562   1.713
  288    HD1  TYR  40           HD1      TYR  40   9.702  -1.537  -0.007
  289    HD2  TYR  40           HD2      TYR  40   7.267   1.918   0.049
  290    HE1  TYR  40           HE1      TYR  40   8.442  -2.415  -1.931
  291    HE2  TYR  40           HE2      TYR  40   5.989   1.069  -1.869
  292    HH   TYR  40           HH       TYR  40   6.377  -2.138  -3.049
  293    H    ASP  41           HN       ASP  41  11.200   2.685  -1.143
  294    HA   ASP  41           HA       ASP  41  11.386   5.222   0.232
  295    HB2  ASP  41           HB2      ASP  41  12.797   4.581  -1.753
  296    HB3  ASP  41           HB1      ASP  41  11.342   4.611  -2.737
  297    H    SER  42           HN       SER  42   9.898   6.945  -0.086
  298    HA   SER  42           HA       SER  42   7.214   6.233  -0.170
  299    HB2  SER  42           HB2      SER  42   6.921   8.796  -0.404
  300    HB3  SER  42           HB1      SER  42   7.651   8.164   1.072
  301    H    LEU  43           HN       LEU  43   9.347   7.119  -2.774
  302    HA   LEU  43           HA       LEU  43   7.427   7.824  -4.721
  303    HB2  LEU  43           HB2      LEU  43   9.945   8.052  -4.909
  304    HB3  LEU  43           HB1      LEU  43  10.041   6.324  -5.112
  305    HG   LEU  43           HG       LEU  43   8.625   8.146  -7.081
  306   HD11  LEU  43          HD11      LEU  43  10.964   8.782  -6.897
  307   HD12  LEU  43          HD12      LEU  43  10.655   7.976  -8.434
  308   HD13  LEU  43          HD13      LEU  43  11.452   7.103  -7.124
  309   HD21  LEU  43          HD21      LEU  43   8.003   5.762  -7.232
  310   HD22  LEU  43          HD22      LEU  43   9.707   5.330  -7.369
  311   HD23  LEU  43          HD23      LEU  43   8.933   6.278  -8.640
  312    H    ALA  44           HN       ALA  44   8.894   4.792  -3.820
  313    HA   ALA  44           HA       ALA  44   7.418   3.099  -5.551
  314    HB1  ALA  44           HB1      ALA  44   9.571   2.471  -4.582
  315    HB2  ALA  44           HB2      ALA  44   8.323   1.300  -4.158
  316    HB3  ALA  44           HB3      ALA  44   8.859   2.489  -2.968
  317    H    LEU  45           HN       LEU  45   7.013   4.272  -2.320
  318    HA   LEU  45           HA       LEU  45   4.898   2.655  -1.461
  319    HB2  LEU  45           HB2      LEU  45   6.288   3.970   0.017
  320    HB3  LEU  45           HB1      LEU  45   5.697   5.445  -0.710
  321    HG   LEU  45           HG       LEU  45   3.499   5.072   0.241
  322   HD11  LEU  45          HD11      LEU  45   3.493   2.629   0.168
  323   HD12  LEU  45          HD12      LEU  45   3.128   3.221   1.789
  324   HD13  LEU  45          HD13      LEU  45   4.733   2.585   1.421
  325   HD21  LEU  45          HD21      LEU  45   5.748   4.759   2.215
  326   HD22  LEU  45          HD22      LEU  45   4.123   5.328   2.588
  327   HD23  LEU  45          HD23      LEU  45   5.168   6.276   1.530
  328    H    MET  46           HN       MET  46   4.863   5.884  -2.977
  329    HA   MET  46           HA       MET  46   2.020   6.030  -3.038
  330    HB2  MET  46           HB2      MET  46   4.006   7.505  -4.762
  331    HB3  MET  46           HB1      MET  46   2.296   7.882  -4.617
  332    HG2  MET  46           HG2      MET  46   2.670   8.219  -2.211
  333    HG3  MET  46           HG1      MET  46   4.405   8.076  -2.521
  334    HE1  MET  46           HE1      MET  46   1.703  11.400  -4.240
  335    HE2  MET  46           HE2      MET  46   1.160  10.177  -3.091
  336    HE3  MET  46           HE3      MET  46   1.596   9.711  -4.736
  337    H    GLU  47           HN       GLU  47   4.441   4.844  -5.179
  338    HA   GLU  47           HA       GLU  47   2.921   4.417  -7.479
  339    HB2  GLU  47           HB2      GLU  47   5.330   4.409  -7.220
  340    HB3  GLU  47           HB1      GLU  47   5.253   2.926  -6.320
  341    HG2  GLU  47           HG2      GLU  47   5.963   2.538  -8.665
  342    HG3  GLU  47           HG1      GLU  47   4.518   1.646  -8.209
  343    H    THR  48           HN       THR  48   3.413   2.488  -4.588
  344    HA   THR  48           HA       THR  48   1.905   0.202  -5.278
  345    HB   THR  48           HB       THR  48   2.404   1.495  -2.577
  346    HG1  THR  48           HG1      THR  48   4.340   0.844  -3.709
  347   HG21  THR  48          HG21      THR  48   1.546  -1.324  -3.249
  348   HG22  THR  48          HG22      THR  48   0.548  -0.093  -2.476
  349   HG23  THR  48          HG23      THR  48   1.960  -0.737  -1.640
  350    H    ALA  49           HN       ALA  49   1.123   3.084  -3.350
  351    HA   ALA  49           HA       ALA  49  -1.535   2.578  -2.789
  352    HB1  ALA  49           HB1      ALA  49  -1.740   4.956  -2.314
  353    HB2  ALA  49           HB2      ALA  49  -0.241   5.271  -3.189
  354    HB3  ALA  49           HB3      ALA  49  -0.210   4.326  -1.701
  355    H    ALA  50           HN       ALA  50  -0.253   4.615  -5.421
  356    HA   ALA  50           HA       ALA  50  -2.670   5.367  -6.572
  357    HB1  ALA  50           HB1      ALA  50  -0.519   6.422  -7.069
  358    HB2  ALA  50           HB2      ALA  50  -1.371   5.948  -8.540
  359    HB3  ALA  50           HB3      ALA  50  -0.018   4.980  -7.954
  360    H    ARG  51           HN       ARG  51  -0.712   2.562  -7.117
  361    HA   ARG  51           HA       ARG  51  -1.960   1.525  -9.405
  362    HB2  ARG  51           HB2      ARG  51   0.218   0.841  -8.486
  363    HB3  ARG  51           HB1      ARG  51  -0.595   0.117  -7.119
  364    HG2  ARG  51           HG2      ARG  51  -1.513  -1.589  -8.471
  365    HG3  ARG  51           HG1      ARG  51  -1.010  -0.768  -9.956
  366    HD2  ARG  51           HD2      ARG  51   0.785  -1.936  -7.835
  367    HD3  ARG  51           HD1      ARG  51   0.565  -2.530  -9.487
  368    HE   ARG  51           HE       ARG  51   1.563   0.184  -9.019
  369   HH11  ARG  51          HH11      ARG  51   2.262  -3.094 -10.180
  370   HH12  ARG  51          HH12      ARG  51   3.595  -2.579 -11.118
  371   HH21  ARG  51          HH21      ARG  51   3.358   0.842 -10.374
  372   HH22  ARG  51          HH22      ARG  51   4.163  -0.356 -11.300
  373    H    LEU  52           HN       LEU  52  -2.549   1.067  -5.977
  374    HA   LEU  52           HA       LEU  52  -4.726  -0.739  -6.383
  375    HB2  LEU  52           HB2      LEU  52  -3.848   0.773  -3.922
  376    HB3  LEU  52           HB1      LEU  52  -5.083  -0.468  -3.947
  377    HG   LEU  52           HG       LEU  52  -2.174  -0.911  -4.632
  378   HD11  LEU  52          HD11      LEU  52  -2.467  -0.419  -2.269
  379   HD12  LEU  52          HD12      LEU  52  -2.074  -2.121  -2.509
  380   HD13  LEU  52          HD13      LEU  52  -3.734  -1.640  -2.158
  381   HD21  LEU  52          HD21      LEU  52  -2.761  -3.287  -4.564
  382   HD22  LEU  52          HD22      LEU  52  -3.674  -2.438  -5.811
  383   HD23  LEU  52          HD23      LEU  52  -4.450  -2.864  -4.285
  384    H    GLU  53           HN       GLU  53  -4.358   2.718  -5.771
  385    HA   GLU  53           HA       GLU  53  -7.016   3.402  -5.270
  386    HB2  GLU  53           HB2      GLU  53  -5.152   5.132  -6.889
  387    HB3  GLU  53           HB1      GLU  53  -6.604   5.550  -6.016
  388    HG2  GLU  53           HG2      GLU  53  -5.570   5.290  -3.921
  389    HG3  GLU  53           HG1      GLU  53  -4.091   4.667  -4.673
  390    H    SER  54           HN       SER  54  -5.258   3.500  -8.348
  391    HA   SER  54           HA       SER  54  -7.389   4.342  -9.930
  392    HB2  SER  54           HB2      SER  54  -5.005   2.700 -10.779
  393    HB3  SER  54           HB1      SER  54  -5.970   3.773 -11.793
  394    HG   SER  54           HG       SER  54  -3.896   4.333 -10.182
  395    H    ARG  55           HN       ARG  55  -6.387   1.119  -8.981
  396    HA   ARG  55           HA       ARG  55  -8.091  -0.135 -10.910
  397    HB2  ARG  55           HB2      ARG  55  -5.979  -1.172 -10.211
  398    HB3  ARG  55           HB1      ARG  55  -6.599  -1.345  -8.579
  399    HG2  ARG  55           HG2      ARG  55  -8.280  -2.906  -9.337
  400    HG3  ARG  55           HG1      ARG  55  -7.775  -2.674 -11.013
  401    HD2  ARG  55           HD2      ARG  55  -6.045  -3.782  -8.802
  402    HD3  ARG  55           HD1      ARG  55  -6.861  -4.742 -10.032
  403    HE   ARG  55           HE       ARG  55  -5.417  -3.013 -11.501
  404   HH11  ARG  55          HH11      ARG  55  -4.443  -5.161  -8.786
  405   HH12  ARG  55          HH12      ARG  55  -2.891  -5.421  -9.444
  406   HH21  ARG  55          HH21      ARG  55  -3.214  -3.428 -12.315
  407   HH22  ARG  55          HH22      ARG  55  -2.155  -4.364 -11.381
  408    H    TYR  56           HN       TYR  56  -8.292   0.519  -7.427
  409    HA   TYR  56           HA       TYR  56 -10.891  -0.780  -7.477
  410    HB2  TYR  56           HB2      TYR  56  -9.059  -0.178  -5.179
  411    HB3  TYR  56           HB1      TYR  56 -10.728  -0.692  -4.947
  412    HD1  TYR  56           HD2      TYR  56  -7.411  -1.696  -6.104
  413    HD2  TYR  56           HD1      TYR  56 -11.418  -2.981  -5.484
  414    HE1  TYR  56           HE2      TYR  56  -6.688  -4.026  -6.351
  415    HE2  TYR  56           HE1      TYR  56 -10.702  -5.330  -5.724
  416    HH   TYR  56           HH       TYR  56  -8.829  -6.600  -6.799
  417    H    GLY  57           HN       GLY  57  -9.829   2.287  -7.791
  418    HA2  GLY  57           HA2      GLY  57 -11.179   4.112  -8.164
  419    HA3  GLY  57           HA1      GLY  57 -12.539   3.201  -7.538
  420    H    VAL  58           HN       VAL  58  -9.448   4.205  -6.080
  421    HA   VAL  58           HA       VAL  58 -11.008   5.842  -4.225
  422    HB   VAL  58           HB       VAL  58  -9.567   5.301  -2.305
  423   HG11  VAL  58          HG11      VAL  58 -11.614   4.076  -2.580
  424   HG12  VAL  58          HG12      VAL  58 -10.343   3.046  -1.885
  425   HG13  VAL  58          HG13      VAL  58 -10.760   2.910  -3.596
  426   HG21  VAL  58          HG21      VAL  58  -8.017   3.447  -2.338
  427   HG22  VAL  58          HG22      VAL  58  -7.543   4.638  -3.557
  428   HG23  VAL  58          HG23      VAL  58  -8.383   3.152  -4.032
  429    H    SER  59           HN       SER  59  -9.491   7.255  -2.878
  430    HA   SER  59           HA       SER  59  -7.269   8.239  -4.507
  431    HB2  SER  59           HB2      SER  59  -9.335   9.934  -3.083
  432    HB3  SER  59           HB1      SER  59  -7.955  10.535  -3.998
  433    HG   SER  59           HG       SER  59  -9.815   8.808  -5.195
  434    H    ILE  60           HN       ILE  60  -5.520   8.124  -3.362
  435    HA   ILE  60           HA       ILE  60  -5.582   8.578  -0.449
  436    HB   ILE  60           HB       ILE  60  -3.472   7.113  -2.091
  437   HG12  ILE  60          HG12      ILE  60  -5.489   5.753  -1.945
  438   HG13  ILE  60          HG11      ILE  60  -4.222   5.050  -0.951
  439   HG21  ILE  60          HG21      ILE  60  -3.666   7.450   0.904
  440   HG22  ILE  60          HG22      ILE  60  -2.483   8.211  -0.157
  441   HG23  ILE  60          HG23      ILE  60  -2.463   6.467   0.069
  442   HD11  ILE  60          HD11      ILE  60  -5.283   5.987   1.044
  443   HD12  ILE  60          HD12      ILE  60  -6.384   4.937   0.151
  444   HD13  ILE  60          HD13      ILE  60  -6.550   6.690   0.038
  445    HA   PRO  61           HA       PRO  61  -3.950  12.478  -2.057
  446    HB2  PRO  61           HB2      PRO  61  -3.652  12.924   0.874
  447    HB3  PRO  61           HB1      PRO  61  -4.374  13.971  -0.354
  448    HG2  PRO  61           HG2      PRO  61  -5.925  12.617   1.310
  449    HG3  PRO  61           HG1      PRO  61  -6.361  12.764  -0.403
  450    HD2  PRO  61           HD2      PRO  61  -5.170  10.442   1.056
  451    HD3  PRO  61           HD1      PRO  61  -6.409  10.460  -0.217
  452    H    ASP  62           HN       ASP  62  -2.031  13.374  -2.285
  453    HA   ASP  62           HA       ASP  62   0.292  11.875  -2.345
  454    HB2  ASP  62           HB2      ASP  62  -0.323  13.975  -3.620
  455    HB3  ASP  62           HB1      ASP  62   0.085  14.892  -2.185
  456    H    ASP  63           HN       ASP  63  -0.736  14.308  -0.055
  457    HA   ASP  63           HA       ASP  63   1.408  14.433   1.741
  458    HB2  ASP  63           HB2      ASP  63  -0.521  15.961   1.694
  459    HB3  ASP  63           HB1      ASP  63  -1.555  14.663   2.259
  460    H    VAL  64           HN       VAL  64  -1.501  12.456   1.857
  461    HA   VAL  64           HA       VAL  64  -0.988  11.120   4.331
  462    HB   VAL  64           HB       VAL  64  -2.735  10.195   2.070
  463   HG11  VAL  64          HG11      VAL  64  -2.889   9.721   5.055
  464   HG12  VAL  64          HG12      VAL  64  -2.426   8.542   3.829
  465   HG13  VAL  64          HG13      VAL  64  -4.080   9.160   3.880
  466   HG21  VAL  64          HG21      VAL  64  -4.582  11.430   3.153
  467   HG22  VAL  64          HG22      VAL  64  -3.299  12.492   2.573
  468   HG23  VAL  64          HG23      VAL  64  -3.423  12.117   4.292
  469    H    ALA  65           HN       ALA  65  -0.511  10.275   0.943
  470    HA   ALA  65           HA       ALA  65   0.304   7.628   1.374
  471    HB1  ALA  65           HB1      ALA  65   1.028   9.446  -0.924
  472    HB2  ALA  65           HB2      ALA  65  -0.446   8.485  -0.800
  473    HB3  ALA  65           HB3      ALA  65   1.120   7.680  -0.905
  474    H    GLY  66           HN       GLY  66   1.911  10.604   1.884
  475    HA2  GLY  66           HA2      GLY  66   4.536   9.363   1.961
  476    HA3  GLY  66           HA1      GLY  66   4.176  11.063   2.247
  477    H    ARG  67           HN       ARG  67   1.911   9.665   4.029
  478    HA   ARG  67           HA       ARG  67   3.533   9.880   6.448
  479    HB2  ARG  67           HB2      ARG  67   1.404  11.095   6.500
  480    HB3  ARG  67           HB1      ARG  67   0.524   9.597   6.177
  481    HG2  ARG  67           HG2      ARG  67   1.696   8.696   8.265
  482    HG3  ARG  67           HG1      ARG  67   2.048  10.381   8.618
  483    HD2  ARG  67           HD2      ARG  67  -0.231  10.888   8.878
  484    HD3  ARG  67           HD1      ARG  67  -0.732   9.365   8.130
  485    HE   ARG  67           HE       ARG  67   0.900   8.827  10.338
  486   HH11  ARG  67          HH11      ARG  67  -2.395   9.981   9.663
  487   HH12  ARG  67          HH12      ARG  67  -3.025   9.300  11.107
  488   HH21  ARG  67          HH21      ARG  67  -0.029   7.958  12.324
  489   HH22  ARG  67          HH22      ARG  67  -1.711   8.178  12.587
  490    H    VAL  68           HN       VAL  68   1.665   7.550   4.660
  491    HA   VAL  68           HA       VAL  68   1.363   5.598   6.612
  492    HB   VAL  68           HB       VAL  68   1.025   3.965   4.691
  493   HG11  VAL  68          HG11      VAL  68  -0.787   5.233   5.688
  494   HG12  VAL  68          HG12      VAL  68  -1.028   5.066   3.947
  495   HG13  VAL  68          HG13      VAL  68  -0.444   6.590   4.615
  496   HG21  VAL  68          HG21      VAL  68   1.501   6.451   3.033
  497   HG22  VAL  68          HG22      VAL  68   0.814   4.951   2.437
  498   HG23  VAL  68          HG23      VAL  68   2.487   4.987   3.009
  499    H    ASP  69           HN       ASP  69   2.851   4.896   7.804
  500    HA   ASP  69           HA       ASP  69   5.564   4.451   6.849
  501    HB2  ASP  69           HB2      ASP  69   5.102   5.702   8.960
  502    HB3  ASP  69           HB1      ASP  69   4.381   4.245   9.620
  503    H    THR  70           HN       THR  70   2.730   2.773   7.929
  504    HA   THR  70           HA       THR  70   4.138   0.239   7.484
  505    HB   THR  70           HB       THR  70   2.479  -0.798   9.040
  506    HG1  THR  70           HG1      THR  70   1.901   1.654  10.202
  507   HG21  THR  70          HG21      THR  70   4.715  -0.187   9.831
  508   HG22  THR  70          HG22      THR  70   3.501   0.062  11.099
  509   HG23  THR  70          HG23      THR  70   4.117   1.438  10.177
  510    HA   PRO  71           HA       PRO  71   1.209  -0.755   4.289
  511    HB2  PRO  71           HB2      PRO  71   1.053  -3.444   5.580
  512    HB3  PRO  71           HB1      PRO  71   1.431  -3.028   3.903
  513    HG2  PRO  71           HG2      PRO  71   3.361  -3.800   5.522
  514    HG3  PRO  71           HG1      PRO  71   3.628  -2.440   4.409
  515    HD2  PRO  71           HD2      PRO  71   3.024  -2.397   7.343
  516    HD3  PRO  71           HD1      PRO  71   4.207  -1.435   6.424
  517    H    ARG  72           HN       ARG  72   0.597  -1.583   7.623
  518    HA   ARG  72           HA       ARG  72  -2.098  -2.156   7.768
  519    HB2  ARG  72           HB2      ARG  72  -0.655  -2.213   9.713
  520    HB3  ARG  72           HB1      ARG  72  -0.367  -0.485   9.600
  521    HG2  ARG  72           HG2      ARG  72  -1.893  -0.870  11.396
  522    HG3  ARG  72           HG1      ARG  72  -2.788  -0.115  10.078
  523    HD2  ARG  72           HD2      ARG  72  -4.099  -1.898  11.028
  524    HD3  ARG  72           HD1      ARG  72  -3.595  -2.354   9.402
  525    HE   ARG  72           HE       ARG  72  -1.800  -3.237  11.440
  526   HH11  ARG  72          HH11      ARG  72  -4.824  -4.054   9.762
  527   HH12  ARG  72          HH12      ARG  72  -4.702  -5.729  10.015
  528   HH21  ARG  72          HH21      ARG  72  -1.653  -5.553  11.882
  529   HH22  ARG  72          HH22      ARG  72  -2.835  -6.608  11.295
  530    H    GLU  73           HN       GLU  73  -0.505   0.999   7.822
  531    HA   GLU  73           HA       GLU  73  -2.837   2.520   8.115
  532    HB2  GLU  73           HB2      GLU  73  -0.122   3.301   7.070
  533    HB3  GLU  73           HB1      GLU  73  -1.369   4.443   7.525
  534    HG2  GLU  73           HG2      GLU  73  -1.316   3.534   9.809
  535    HG3  GLU  73           HG1      GLU  73   0.003   2.475   9.319
  536    H    LEU  74           HN       LEU  74  -0.881   1.827   5.238
  537    HA   LEU  74           HA       LEU  74  -2.352   3.364   3.372
  538    HB2  LEU  74           HB2      LEU  74  -0.035   1.951   3.201
  539    HB3  LEU  74           HB1      LEU  74  -1.161   0.793   2.508
  540    HG   LEU  74           HG       LEU  74  -0.671   3.553   1.396
  541   HD11  LEU  74          HD11      LEU  74   0.505   2.390  -0.401
  542   HD12  LEU  74          HD12      LEU  74   0.327   0.871   0.480
  543   HD13  LEU  74          HD13      LEU  74   1.290   2.180   1.165
  544   HD21  LEU  74          HD21      LEU  74  -1.886   2.724  -0.572
  545   HD22  LEU  74          HD22      LEU  74  -2.915   2.690   0.861
  546   HD23  LEU  74          HD23      LEU  74  -2.196   1.198   0.257
  547    H    LEU  75           HN       LEU  75  -2.548  -0.047   4.294
  548    HA   LEU  75           HA       LEU  75  -4.570  -0.849   2.544
  549    HB2  LEU  75           HB2      LEU  75  -3.105  -2.375   3.800
  550    HB3  LEU  75           HB1      LEU  75  -3.875  -1.881   5.291
  551    HG   LEU  75           HG       LEU  75  -5.995  -2.881   4.496
  552   HD11  LEU  75          HD11      LEU  75  -4.318  -3.870   2.192
  553   HD12  LEU  75          HD12      LEU  75  -5.631  -2.691   2.104
  554   HD13  LEU  75          HD13      LEU  75  -5.975  -4.357   2.559
  555   HD21  LEU  75          HD21      LEU  75  -5.292  -5.207   4.773
  556   HD22  LEU  75          HD22      LEU  75  -4.474  -4.148   5.923
  557   HD23  LEU  75          HD23      LEU  75  -3.616  -4.734   4.499
  558    H    ASP  76           HN       ASP  76  -4.683   0.410   5.843
  559    HA   ASP  76           HA       ASP  76  -7.445   0.038   6.258
  560    HB2  ASP  76           HB2      ASP  76  -5.937   0.352   8.138
  561    HB3  ASP  76           HB1      ASP  76  -5.526   1.967   7.570
  562    H    LEU  77           HN       LEU  77  -5.562   2.730   5.062
  563    HA   LEU  77           HA       LEU  77  -7.489   4.717   4.846
  564    HB2  LEU  77           HB2      LEU  77  -5.234   4.025   2.991
  565    HB3  LEU  77           HB1      LEU  77  -6.166   5.488   2.875
  566    HG   LEU  77           HG       LEU  77  -4.396   4.706   5.183
  567   HD11  LEU  77          HD11      LEU  77  -2.955   6.493   4.329
  568   HD12  LEU  77          HD12      LEU  77  -4.043   6.716   2.966
  569   HD13  LEU  77          HD13      LEU  77  -3.163   5.204   3.150
  570   HD21  LEU  77          HD21      LEU  77  -4.771   6.997   5.960
  571   HD22  LEU  77          HD22      LEU  77  -6.296   6.110   5.874
  572   HD23  LEU  77          HD23      LEU  77  -5.883   7.277   4.620
  573    H    ILE  78           HN       ILE  78  -6.563   2.254   2.481
  574    HA   ILE  78           HA       ILE  78  -8.579   3.057   0.648
  575    HB   ILE  78           HB       ILE  78  -6.985   0.482   0.680
  576   HG12  ILE  78          HG12      ILE  78  -6.565   3.105  -0.749
  577   HG13  ILE  78          HG11      ILE  78  -5.510   2.370   0.457
  578   HG21  ILE  78          HG21      ILE  78  -8.629   1.738  -1.523
  579   HG22  ILE  78          HG22      ILE  78  -9.048   0.280  -0.626
  580   HG23  ILE  78          HG23      ILE  78  -7.632   0.289  -1.680
  581   HD11  ILE  78          HD11      ILE  78  -6.163   1.277  -2.225
  582   HD12  ILE  78          HD12      ILE  78  -5.055   0.539  -1.057
  583   HD13  ILE  78          HD13      ILE  78  -4.648   2.107  -1.825
  584    H    ASN  79           HN       ASN  79  -8.319   0.594   3.124
  585    HA   ASN  79           HA       ASN  79 -10.641  -0.836   2.469
  586    HB2  ASN  79           HB2      ASN  79  -9.179  -0.473   5.064
  587    HB3  ASN  79           HB1      ASN  79 -10.732  -1.285   5.058
  588   HD21  ASN  79          HD21      ASN  79  -8.258  -1.519   2.541
  589   HD22  ASN  79          HD22      ASN  79  -7.901  -3.195   2.833
  590    H    GLY  80           HN       GLY  80 -10.216   2.010   4.482
  591    HA2  GLY  80           HA2      GLY  80 -12.932   2.260   5.250
  592    HA3  GLY  80           HA1      GLY  80 -11.726   3.534   5.297
  593    H    ALA  81           HN       ALA  81 -11.066   3.690   2.610
  594    HA   ALA  81           HA       ALA  81 -13.121   5.382   1.665
  595    HB1  ALA  81           HB1      ALA  81 -11.721   5.619  -0.328
  596    HB2  ALA  81           HB2      ALA  81 -10.737   4.250   0.193
  597    HB3  ALA  81           HB3      ALA  81 -10.753   5.735   1.142
  598    H    LEU  82           HN       LEU  82 -12.028   2.169   0.755
  599    HA   LEU  82           HA       LEU  82 -13.854   1.727  -1.330
  600    HB2  LEU  82           HB2      LEU  82 -12.385  -0.164   0.480
  601    HB3  LEU  82           HB1      LEU  82 -13.446  -0.726  -0.780
  602    HG   LEU  82           HG       LEU  82 -10.788   0.746  -1.162
  603   HD11  LEU  82          HD11      LEU  82 -10.145  -1.286  -2.235
  604   HD12  LEU  82          HD12      LEU  82 -11.720  -2.001  -1.888
  605   HD13  LEU  82          HD13      LEU  82 -10.631  -1.583  -0.566
  606   HD21  LEU  82          HD21      LEU  82 -11.208   0.507  -3.533
  607   HD22  LEU  82          HD22      LEU  82 -12.471   1.498  -2.805
  608   HD23  LEU  82          HD23      LEU  82 -12.797  -0.187  -3.211
  609    H    ALA  83           HN       ALA  83 -14.077   1.248   2.163
  610    HA   ALA  83           HA       ALA  83 -16.491  -0.206   2.149
  611    HB1  ALA  83           HB1      ALA  83 -15.009  -0.108   4.095
  612    HB2  ALA  83           HB2      ALA  83 -16.650   0.392   4.511
  613    HB3  ALA  83           HB3      ALA  83 -15.386   1.601   4.295
  614    H    GLU  84           HN       GLU  84 -15.765   3.225   2.132
  615    HA   GLU  84           HA       GLU  84 -18.513   3.984   2.449
  616    HB2  GLU  84           HB2      GLU  84 -16.134   5.654   1.647
  617    HB3  GLU  84           HB1      GLU  84 -17.728   6.272   2.062
  618    HG2  GLU  84           HG2      GLU  84 -17.459   5.236   4.311
  619    HG3  GLU  84           HG1      GLU  84 -15.798   4.854   3.866
  620    H    ALA  85           HN       ALA  85 -17.117   2.531  -0.040
  621    HA   ALA  85           HA       ALA  85 -18.394   4.088  -2.138
  622    HB1  ALA  85           HB1      ALA  85 -16.913   1.451  -2.271
  623    HB2  ALA  85           HB2      ALA  85 -16.225   3.036  -2.617
  624    HB3  ALA  85           HB3      ALA  85 -17.487   2.377  -3.659
  625    H    ALA  86           HN       ALA  86 -19.159   1.742   0.102
  626    HA   ALA  86           HA       ALA  86 -21.182   0.411  -1.462
  627    HB1  ALA  86           HB1      ALA  86 -19.902  -0.886   0.187
  628    HB2  ALA  86           HB2      ALA  86 -21.615  -0.849   0.605
  629    HB3  ALA  86           HB3      ALA  86 -20.473   0.180   1.471
  630    H28  SXM  87          H28A      SXM  87   8.033  13.022  -1.089
  631   H28A  SXM  87          H28B      SXM  87   6.941  12.146  -2.159
  632    H30  SXM  87          H30A      SXM  87   3.968  12.409  -0.028
  633   H30A  SXM  87          H30B      SXM  87   5.111  11.068  -0.048
  634   H30B  SXM  87          H30C      SXM  87   4.611  11.827  -1.563
  635    H31  SXM  87          H31C      SXM  87   6.531  12.317   1.563
  636   H31A  SXM  87          H31A      SXM  87   5.422  13.688   1.536
  637   H31B  SXM  87          H31B      SXM  87   7.126  13.923   1.148
  638    H32  SXM  87          H32A      SXM  87   4.823  14.830  -0.567
  639   HO33  SXM  87          H33A      SXM  87   4.123  14.167  -2.399
  640   HN36  SXM  87          H36A      SXM  87   6.428  15.240  -3.185
  641    H37  SXM  87          H37B      SXM  87   9.026  16.146  -2.416
  642   H37A  SXM  87          H37A      SXM  87   7.958  17.512  -2.604
  643    H38  SXM  87          H38A      SXM  87   8.434  15.405  -4.700
  644   H38A  SXM  87          H38B      SXM  87   7.719  17.019  -4.968
  645   HN41  SXM  87          H41A      SXM  87  10.375  16.873  -2.818
  646    H42  SXM  87          H42A      SXM  87  12.679  16.661  -4.095
  647   H42A  SXM  87          H42B      SXM  87  12.155  18.278  -4.590
  648    H43  SXM  87          H43A      SXM  87  13.623  18.296  -2.583
  649   H43A  SXM  87          H43B      SXM  87  12.399  17.342  -1.710
  650    H2   SXM  87           H2A      SXM  87  10.553  21.490  -3.458
  651    H2A  SXM  87           H2B      SXM  87  11.574  21.842  -4.850
  Start of MODEL    6
    1    H1   MET   1           HT1      MET   1 -19.160  -9.659   1.773
    2    H2   MET   1           HT2      MET   1 -20.828  -9.602   1.825
    3    H3   MET   1           HT3      MET   1 -19.921  -8.187   1.596
    4    HA   MET   1           HA       MET   1 -19.952 -10.477  -0.267
    5    HB2  MET   1           HB2      MET   1 -22.080  -9.395  -0.490
    6    HB3  MET   1           HB1      MET   1 -21.348  -7.800  -0.429
    7    HG2  MET   1           HG2      MET   1 -22.040  -8.278  -2.680
    8    HG3  MET   1           HG1      MET   1 -20.284  -8.227  -2.604
    9    HE1  MET   1           HE1      MET   1 -22.826 -12.053  -3.069
   10    HE2  MET   1           HE2      MET   1 -23.475 -10.413  -3.063
   11    HE3  MET   1           HE3      MET   1 -22.806 -11.101  -1.583
   12    H    ALA   2           HN       ALA   2 -19.278  -6.945  -0.247
   13    HA   ALA   2           HA       ALA   2 -17.151  -7.316  -2.108
   14    HB1  ALA   2           HB1      ALA   2 -16.802  -4.914  -1.857
   15    HB2  ALA   2           HB2      ALA   2 -17.917  -4.883  -0.490
   16    HB3  ALA   2           HB3      ALA   2 -18.512  -5.275  -2.104
   17    H    THR   3           HN       THR   3 -15.387  -8.282  -1.478
   18    HA   THR   3           HA       THR   3 -14.309  -8.027   1.185
   19    HB   THR   3           HB       THR   3 -13.194  -9.331  -1.237
   20    HG1  THR   3           HG1      THR   3 -14.806 -10.752  -1.014
   21   HG21  THR   3          HG21      THR   3 -12.768  -9.858   1.712
   22   HG22  THR   3          HG22      THR   3 -11.619  -9.094   0.613
   23   HG23  THR   3          HG23      THR   3 -12.037 -10.795   0.409
   24    H    LEU   4           HN       LEU   4 -13.281  -6.147   1.538
   25    HA   LEU   4           HA       LEU   4 -12.085  -4.552  -0.506
   26    HB2  LEU   4           HB2      LEU   4 -11.532  -4.408   2.456
   27    HB3  LEU   4           HB1      LEU   4 -11.312  -3.136   1.269
   28    HG   LEU   4           HG       LEU   4 -13.861  -4.239   2.361
   29   HD11  LEU   4          HD11      LEU   4 -14.320  -1.927   3.001
   30   HD12  LEU   4          HD12      LEU   4 -12.739  -1.464   2.374
   31   HD13  LEU   4          HD13      LEU   4 -12.855  -2.573   3.740
   32   HD21  LEU   4          HD21      LEU   4 -15.106  -2.721   0.861
   33   HD22  LEU   4          HD22      LEU   4 -14.228  -3.971  -0.023
   34   HD23  LEU   4          HD23      LEU   4 -13.592  -2.327   0.044
   35    H    LEU   5           HN       LEU   5  -9.709  -3.803   0.057
   36    HA   LEU   5           HA       LEU   5  -8.259  -5.795  -1.250
   37    HB2  LEU   5           HB2      LEU   5  -7.198  -3.301   0.143
   38    HB3  LEU   5           HB1      LEU   5  -6.199  -4.427  -0.759
   39    HG   LEU   5           HG       LEU   5  -8.513  -2.865  -1.870
   40   HD11  LEU   5          HD11      LEU   5  -6.786  -1.581  -3.014
   41   HD12  LEU   5          HD12      LEU   5  -5.539  -2.493  -2.166
   42   HD13  LEU   5          HD13      LEU   5  -6.632  -1.441  -1.263
   43   HD21  LEU   5          HD21      LEU   5  -7.674  -3.647  -4.023
   44   HD22  LEU   5          HD22      LEU   5  -8.163  -4.997  -2.996
   45   HD23  LEU   5          HD23      LEU   5  -6.453  -4.616  -3.197
   46    H    THR   6           HN       THR   6  -7.257  -7.515  -0.714
   47    HA   THR   6           HA       THR   6  -7.196  -8.196   2.087
   48    HB   THR   6           HB       THR   6  -6.583 -10.453   1.330
   49    HG1  THR   6           HG1      THR   6  -6.666  -9.310  -1.283
   50   HG21  THR   6          HG21      THR   6  -8.612 -11.002   0.047
   51   HG22  THR   6          HG22      THR   6  -8.858  -9.290  -0.295
   52   HG23  THR   6          HG23      THR   6  -8.968  -9.883   1.362
   53    H    THR   7           HN       THR   7  -5.074  -9.758   2.465
   54    HA   THR   7           HA       THR   7  -2.967  -7.881   2.272
   55    HB   THR   7           HB       THR   7  -1.771  -9.823   3.535
   56    HG1  THR   7           HG1      THR   7  -3.017 -11.419   4.137
   57   HG21  THR   7          HG21      THR   7  -4.090  -8.299   4.730
   58   HG22  THR   7          HG22      THR   7  -2.452  -7.682   4.510
   59   HG23  THR   7          HG23      THR   7  -2.749  -9.008   5.635
   60    H    ASP   8           HN       ASP   8  -4.091 -10.591   0.594
   61    HA   ASP   8           HA       ASP   8  -1.670 -11.317  -0.728
   62    HB2  ASP   8           HB2      ASP   8  -4.569 -11.702  -1.529
   63    HB3  ASP   8           HB1      ASP   8  -3.235 -12.254  -2.527
   64    H    ASP   9           HN       ASP   9  -4.355  -9.215  -1.506
   65    HA   ASP   9           HA       ASP   9  -3.443  -8.285  -4.030
   66    HB2  ASP   9           HB2      ASP   9  -5.155  -6.761  -2.041
   67    HB3  ASP   9           HB1      ASP   9  -4.949  -6.363  -3.735
   68    H    LEU  10           HN       LEU  10  -3.227  -6.923  -0.790
   69    HA   LEU  10           HA       LEU  10  -1.804  -4.612  -1.460
   70    HB2  LEU  10           HB2      LEU  10  -3.053  -4.957   0.639
   71    HB3  LEU  10           HB1      LEU  10  -1.850  -6.118   1.156
   72    HG   LEU  10           HG       LEU  10  -0.158  -4.306   1.192
   73   HD11  LEU  10          HD11      LEU  10  -1.148  -2.831  -0.470
   74   HD12  LEU  10          HD12      LEU  10  -0.898  -1.981   1.059
   75   HD13  LEU  10          HD13      LEU  10  -2.513  -2.528   0.607
   76   HD21  LEU  10          HD21      LEU  10  -2.640  -3.786   2.824
   77   HD22  LEU  10          HD22      LEU  10  -1.025  -3.180   3.186
   78   HD23  LEU  10          HD23      LEU  10  -1.345  -4.915   3.223
   79    H    ARG  11           HN       ARG  11  -0.701  -7.845  -0.518
   80    HA   ARG  11           HA       ARG  11   2.015  -7.283  -0.201
   81    HB2  ARG  11           HB2      ARG  11   0.940  -9.380   0.505
   82    HB3  ARG  11           HB1      ARG  11   0.738  -9.836  -1.175
   83    HG2  ARG  11           HG2      ARG  11   3.164  -9.934  -1.445
   84    HG3  ARG  11           HG1      ARG  11   3.367  -9.453   0.244
   85    HD2  ARG  11           HD2      ARG  11   3.578 -11.873   0.008
   86    HD3  ARG  11           HD1      ARG  11   2.152 -11.455   0.958
   87    HE   ARG  11           HE       ARG  11   2.158 -12.276  -1.850
   88   HH11  ARG  11          HH11      ARG  11   0.606 -12.133   1.330
   89   HH12  ARG  11          HH12      ARG  11  -0.805 -12.948   0.909
   90   HH21  ARG  11          HH21      ARG  11   0.101 -13.463  -2.532
   91   HH22  ARG  11          HH22      ARG  11  -1.079 -13.720  -1.342
   92    H    ARG  12           HN       ARG  12   0.332  -8.596  -3.072
   93    HA   ARG  12           HA       ARG  12   2.704  -8.397  -4.567
   94    HB2  ARG  12           HB2      ARG  12  -0.070  -9.123  -5.309
   95    HB3  ARG  12           HB1      ARG  12   1.004  -8.613  -6.612
   96    HG2  ARG  12           HG2      ARG  12   1.715 -10.749  -4.623
   97    HG3  ARG  12           HG1      ARG  12   0.959 -11.077  -6.187
   98    HD2  ARG  12           HD2      ARG  12   2.817 -10.334  -7.386
   99    HD3  ARG  12           HD1      ARG  12   3.490  -9.437  -6.040
  100    HE   ARG  12           HE       ARG  12   3.363 -12.191  -5.458
  101   HH11  ARG  12          HH11      ARG  12   5.120 -10.108  -7.719
  102   HH12  ARG  12          HH12      ARG  12   6.652 -10.746  -7.397
  103   HH21  ARG  12          HH21      ARG  12   5.558 -13.177  -5.018
  104   HH22  ARG  12          HH22      ARG  12   6.900 -12.535  -5.848
  105    H    ALA  13           HN       ALA  13   0.133  -6.139  -4.129
  106    HA   ALA  13           HA       ALA  13   0.889  -4.318  -6.128
  107    HB1  ALA  13           HB1      ALA  13  -1.184  -4.082  -4.835
  108    HB2  ALA  13           HB2      ALA  13  -0.211  -2.613  -4.753
  109    HB3  ALA  13           HB3      ALA  13  -0.241  -3.728  -3.389
  110    H    LEU  14           HN       LEU  14   1.953  -4.741  -2.803
  111    HA   LEU  14           HA       LEU  14   3.736  -2.558  -2.752
  112    HB2  LEU  14           HB2      LEU  14   2.684  -3.763  -0.796
  113    HB3  LEU  14           HB1      LEU  14   3.829  -5.058  -1.073
  114    HG   LEU  14           HG       LEU  14   5.680  -3.486  -0.618
  115   HD11  LEU  14          HD11      LEU  14   5.160  -1.306   0.348
  116   HD12  LEU  14          HD12      LEU  14   3.443  -1.585   0.058
  117   HD13  LEU  14          HD13      LEU  14   4.554  -1.436  -1.303
  118   HD21  LEU  14          HD21      LEU  14   4.763  -4.874   1.174
  119   HD22  LEU  14          HD22      LEU  14   3.570  -3.625   1.535
  120   HD23  LEU  14          HD23      LEU  14   5.286  -3.307   1.789
  121    H    VAL  15           HN       VAL  15   4.264  -6.057  -3.108
  122    HA   VAL  15           HA       VAL  15   7.034  -6.130  -3.361
  123    HB   VAL  15           HB       VAL  15   5.006  -7.923  -4.751
  124   HG11  VAL  15          HG11      VAL  15   7.190  -8.093  -5.846
  125   HG12  VAL  15          HG12      VAL  15   6.823  -9.563  -4.944
  126   HG13  VAL  15          HG13      VAL  15   7.957  -8.386  -4.284
  127   HG21  VAL  15          HG21      VAL  15   6.546  -8.287  -2.181
  128   HG22  VAL  15          HG22      VAL  15   5.479  -9.480  -2.918
  129   HG23  VAL  15          HG23      VAL  15   4.820  -7.956  -2.322
  130    H    GLU  16           HN       GLU  16   4.658  -5.872  -5.991
  131    HA   GLU  16           HA       GLU  16   6.606  -5.809  -8.015
  132    HB2  GLU  16           HB2      GLU  16   3.737  -4.874  -8.115
  133    HB3  GLU  16           HB1      GLU  16   4.779  -5.106  -9.515
  134    HG2  GLU  16           HG2      GLU  16   4.990  -7.475  -8.963
  135    HG3  GLU  16           HG1      GLU  16   3.946  -7.241  -7.566
  136    H    SER  17           HN       SER  17   4.990  -3.181  -6.271
  137    HA   SER  17           HA       SER  17   6.212  -1.218  -7.947
  138    HB2  SER  17           HB2      SER  17   4.542  -1.004  -5.457
  139    HB3  SER  17           HB1      SER  17   5.037   0.353  -6.476
  140    HG   SER  17           HG       SER  17   3.968  -0.419  -8.117
  141    H    ALA  18           HN       ALA  18   7.385  -3.050  -5.505
  142    HA   ALA  18           HA       ALA  18   9.013  -1.034  -4.221
  143    HB1  ALA  18           HB1      ALA  18   8.149  -2.936  -2.957
  144    HB2  ALA  18           HB2      ALA  18   9.916  -2.909  -2.948
  145    HB3  ALA  18           HB3      ALA  18   9.052  -4.034  -3.999
  146    H    GLY  19           HN       GLY  19   9.179  -2.265  -7.194
  147    HA2  GLY  19           HA2      GLY  19  11.845  -1.579  -7.626
  148    HA3  GLY  19           HA1      GLY  19  11.685  -3.340  -7.571
  149    H    GLU  20           HN       GLU  20  12.015  -3.691  -9.741
  150    HA   GLU  20           HA       GLU  20  10.320  -2.235 -11.580
  151    HB2  GLU  20           HB2      GLU  20  12.656  -2.609 -12.134
  152    HB3  GLU  20           HB1      GLU  20  12.385  -4.350 -12.150
  153    HG2  GLU  20           HG2      GLU  20  10.776  -4.071 -13.987
  154    HG3  GLU  20           HG1      GLU  20  11.089  -2.338 -13.990
  155    H    THR  21           HN       THR  21   8.442  -3.054 -10.644
  156    HA   THR  21           HA       THR  21   6.573  -4.237 -10.644
  157    HB   THR  21           HB       THR  21   7.550  -5.705 -13.115
  158    HG1  THR  21           HG1      THR  21   7.251  -3.060 -12.613
  159   HG21  THR  21          HG21      THR  21   5.158  -5.606 -13.696
  160   HG22  THR  21          HG22      THR  21   4.850  -4.677 -12.217
  161   HG23  THR  21          HG23      THR  21   5.385  -6.349 -12.104
  162    H    ASP  22           HN       ASP  22   8.953  -5.179  -9.351
  163    HA   ASP  22           HA       ASP  22   8.124  -7.136  -7.699
  164    HB2  ASP  22           HB2      ASP  22   8.167  -8.648  -9.778
  165    HB3  ASP  22           HB1      ASP  22   9.922  -8.406  -9.739
  166    H    GLY  23           HN       GLY  23   9.263  -5.728  -6.519
  167    HA2  GLY  23           HA2      GLY  23  12.175  -5.690  -6.992
  168    HA3  GLY  23           HA1      GLY  23  11.274  -4.450  -6.125
  169    H    THR  24           HN       THR  24  10.423  -4.966  -4.131
  170    HA   THR  24           HA       THR  24  12.090  -6.797  -2.575
  171    HB   THR  24           HB       THR  24  10.284  -4.506  -1.724
  172    HG1  THR  24           HG1      THR  24  13.111  -4.652  -1.927
  173   HG21  THR  24          HG21      THR  24  10.632  -6.180   0.055
  174   HG22  THR  24          HG22      THR  24  11.467  -4.674   0.439
  175   HG23  THR  24          HG23      THR  24  12.377  -6.057  -0.169
  176    H    ASP  25           HN       ASP  25  11.092  -8.725  -2.385
  177    HA   ASP  25           HA       ASP  25   8.206  -8.911  -2.466
  178    HB2  ASP  25           HB2      ASP  25   8.423 -11.287  -2.386
  179    HB3  ASP  25           HB1      ASP  25   9.712 -10.722  -3.435
  180    H    LEU  26           HN       LEU  26   6.945  -9.729  -0.792
  181    HA   LEU  26           HA       LEU  26   8.135  -9.533   1.853
  182    HB2  LEU  26           HB2      LEU  26   5.473  -8.370   0.995
  183    HB3  LEU  26           HB1      LEU  26   5.908  -8.624   2.663
  184    HG   LEU  26           HG       LEU  26   6.168  -6.351   2.257
  185   HD11  LEU  26          HD11      LEU  26   7.940  -7.215   3.576
  186   HD12  LEU  26          HD12      LEU  26   8.534  -5.888   2.576
  187   HD13  LEU  26          HD13      LEU  26   8.901  -7.558   2.138
  188   HD21  LEU  26          HD21      LEU  26   6.149  -6.318  -0.165
  189   HD22  LEU  26          HD22      LEU  26   7.779  -6.991  -0.210
  190   HD23  LEU  26          HD23      LEU  26   7.509  -5.375   0.443
  191    H    SER  27           HN       SER  27   8.300 -11.762   1.620
  192    HA   SER  27           HA       SER  27   5.827 -13.259   1.556
  193    HB2  SER  27           HB2      SER  27   7.784 -14.117   0.304
  194    HB3  SER  27           HB1      SER  27   8.696 -14.187   1.811
  195    HG   SER  27           HG       SER  27   7.758 -15.944   2.327
  196    H    GLY  28           HN       GLY  28   4.777 -12.837   3.398
  197    HA2  GLY  28           HA2      GLY  28   4.823 -14.092   5.650
  198    HA3  GLY  28           HA1      GLY  28   6.161 -12.974   5.947
  199    H    ASP  29           HN       ASP  29   4.301 -12.507   7.651
  200    HA   ASP  29           HA       ASP  29   2.368 -10.725   6.516
  201    HB2  ASP  29           HB2      ASP  29   2.852 -11.538   9.370
  202    HB3  ASP  29           HB1      ASP  29   1.738 -10.235   8.962
  203    H    PHE  30           HN       PHE  30   3.408  -9.301   5.539
  204    HA   PHE  30           HA       PHE  30   5.505  -7.683   6.481
  205    HB2  PHE  30           HB2      PHE  30   5.103  -6.337   4.450
  206    HB3  PHE  30           HB1      PHE  30   5.188  -8.061   4.122
  207    HD1  PHE  30           HD2      PHE  30   3.023  -9.319   3.731
  208    HD2  PHE  30           HD1      PHE  30   3.221  -5.076   3.865
  209    HE1  PHE  30           HE2      PHE  30   0.849  -9.184   2.593
  210    HE2  PHE  30           HE1      PHE  30   1.051  -4.939   2.726
  211    HZ   PHE  30           HZ       PHE  30  -0.134  -6.993   2.088
  212    H    LEU  31           HN       LEU  31   2.289  -7.564   7.253
  213    HA   LEU  31           HA       LEU  31   1.838  -4.764   7.448
  214    HB2  LEU  31           HB2      LEU  31   0.507  -7.084   8.859
  215    HB3  LEU  31           HB1      LEU  31  -0.016  -5.430   9.017
  216    HG   LEU  31           HG       LEU  31  -1.499  -6.557   7.538
  217   HD11  LEU  31          HD11      LEU  31   0.323  -4.819   5.934
  218   HD12  LEU  31          HD12      LEU  31  -1.020  -4.279   6.945
  219   HD13  LEU  31          HD13      LEU  31  -1.331  -5.248   5.501
  220   HD21  LEU  31          HD21      LEU  31  -0.081  -8.394   6.868
  221   HD22  LEU  31          HD22      LEU  31   0.894  -7.275   5.899
  222   HD23  LEU  31          HD23      LEU  31  -0.791  -7.586   5.460
  223    H    ASP  32           HN       ASP  32   3.530  -7.060   9.325
  224    HA   ASP  32           HA       ASP  32   3.492  -5.499  11.755
  225    HB2  ASP  32           HB2      ASP  32   4.893  -8.090  11.061
  226    HB3  ASP  32           HB1      ASP  32   4.941  -7.325  12.644
  227    H    LEU  33           HN       LEU  33   5.024  -5.118   8.943
  228    HA   LEU  33           HA       LEU  33   7.414  -4.037  10.224
  229    HB2  LEU  33           HB2      LEU  33   6.999  -4.952   7.367
  230    HB3  LEU  33           HB1      LEU  33   8.411  -4.095   7.930
  231    HG   LEU  33           HG       LEU  33   9.012  -6.319   7.690
  232   HD11  LEU  33          HD11      LEU  33   9.645  -7.047   9.937
  233   HD12  LEU  33          HD12      LEU  33   8.557  -5.831  10.610
  234   HD13  LEU  33          HD13      LEU  33   9.949  -5.334   9.648
  235   HD21  LEU  33          HD21      LEU  33   7.873  -8.218   8.795
  236   HD22  LEU  33          HD22      LEU  33   6.884  -7.405   7.585
  237   HD23  LEU  33          HD23      LEU  33   6.592  -7.112   9.302
  238    H    ARG  34           HN       ARG  34   7.938  -1.937   9.666
  239    HA   ARG  34           HA       ARG  34   5.778  -0.353   8.513
  240    HB2  ARG  34           HB2      ARG  34   8.423   0.347   9.790
  241    HB3  ARG  34           HB1      ARG  34   7.345   1.539   9.088
  242    HG2  ARG  34           HG2      ARG  34   5.659   1.023  10.730
  243    HG3  ARG  34           HG1      ARG  34   6.664  -0.278  11.384
  244    HD2  ARG  34           HD2      ARG  34   8.321   1.250  12.107
  245    HD3  ARG  34           HD1      ARG  34   7.569   2.579  11.227
  246    HE   ARG  34           HE       ARG  34   5.701   2.352  12.743
  247   HH11  ARG  34          HH11      ARG  34   8.798   0.995  13.761
  248   HH12  ARG  34          HH12      ARG  34   8.664   1.396  15.403
  249   HH21  ARG  34          HH21      ARG  34   5.438   2.876  15.071
  250   HH22  ARG  34          HH22      ARG  34   6.678   2.472  16.193
  251    H    PHE  35           HN       PHE  35   6.470   1.303   6.843
  252    HA   PHE  35           HA       PHE  35   8.005   0.040   4.789
  253    HB2  PHE  35           HB2      PHE  35   7.035   2.905   5.005
  254    HB3  PHE  35           HB1      PHE  35   7.796   2.225   3.572
  255    HD1  PHE  35           HD2      PHE  35   6.671   0.030   2.675
  256    HD2  PHE  35           HD1      PHE  35   4.760   2.895   5.154
  257    HE1  PHE  35           HE2      PHE  35   4.486  -0.769   1.906
  258    HE2  PHE  35           HE1      PHE  35   2.569   2.103   4.386
  259    HZ   PHE  35           HZ       PHE  35   2.438   0.261   2.734
  260    H    GLU  36           HN       GLU  36   8.619   2.127   7.338
  261    HA   GLU  36           HA       GLU  36  11.206   3.081   6.863
  262    HB2  GLU  36           HB2      GLU  36   9.816   2.239   9.397
  263    HB3  GLU  36           HB1      GLU  36  11.322   3.140   9.342
  264    HG2  GLU  36           HG2      GLU  36   8.782   4.113   8.086
  265    HG3  GLU  36           HG1      GLU  36   9.241   4.473   9.751
  266    H    ASP  37           HN       ASP  37   9.981  -0.072   7.809
  267    HA   ASP  37           HA       ASP  37  12.565  -1.034   8.694
  268    HB2  ASP  37           HB2      ASP  37   9.916  -2.460   8.419
  269    HB3  ASP  37           HB1      ASP  37  11.398  -3.229   8.969
  270    H    ILE  38           HN       ILE  38  10.471  -1.288   5.903
  271    HA   ILE  38           HA       ILE  38  12.332  -3.193   4.786
  272    HB   ILE  38           HB       ILE  38  10.718  -3.416   2.896
  273   HG12  ILE  38          HG12      ILE  38   8.966  -1.638   4.626
  274   HG13  ILE  38          HG11      ILE  38   9.650  -1.193   3.069
  275   HG21  ILE  38          HG21      ILE  38   9.629  -3.909   5.666
  276   HG22  ILE  38          HG22      ILE  38  10.700  -4.972   4.757
  277   HG23  ILE  38          HG23      ILE  38   9.054  -4.687   4.189
  278   HD11  ILE  38          HD11      ILE  38   7.632  -3.374   3.556
  279   HD12  ILE  38          HD12      ILE  38   8.306  -2.925   1.990
  280   HD13  ILE  38          HD13      ILE  38   7.299  -1.779   2.878
  281    H    GLY  39           HN       GLY  39  12.700  -0.224   5.158
  282    HA2  GLY  39           HA2      GLY  39  13.755   1.539   4.112
  283    HA3  GLY  39           HA1      GLY  39  14.592   0.276   3.220
  284    H    TYR  40           HN       TYR  40  11.297   1.541   3.243
  285    HA   TYR  40           HA       TYR  40  11.165   1.115   0.393
  286    HB2  TYR  40           HB2      TYR  40   9.362   0.745   2.343
  287    HB3  TYR  40           HB1      TYR  40   8.942   2.388   1.849
  288    HD1  TYR  40           HD1      TYR  40   9.271  -1.075   0.675
  289    HD2  TYR  40           HD2      TYR  40   7.816   2.813  -0.106
  290    HE1  TYR  40           HE1      TYR  40   7.969  -1.963  -1.197
  291    HE2  TYR  40           HE2      TYR  40   6.482   1.943  -2.000
  292    HH   TYR  40           HH       TYR  40   5.976  -1.385  -2.477
  293    H    ASP  41           HN       ASP  41  10.694   2.674  -1.103
  294    HA   ASP  41           HA       ASP  41  11.503   5.410  -0.431
  295    HB2  ASP  41           HB2      ASP  41  12.732   4.469  -2.263
  296    HB3  ASP  41           HB1      ASP  41  11.259   3.896  -3.036
  297    H    SER  42           HN       SER  42  10.133   7.200  -0.868
  298    HA   SER  42           HA       SER  42   7.404   6.618  -0.618
  299    HB2  SER  42           HB2      SER  42   7.111   9.112  -0.982
  300    HB3  SER  42           HB1      SER  42   8.086   8.618   0.400
  301    H    LEU  43           HN       LEU  43   9.275   7.568  -3.491
  302    HA   LEU  43           HA       LEU  43   7.049   7.972  -5.174
  303    HB2  LEU  43           HB2      LEU  43   9.331   8.747  -5.735
  304    HB3  LEU  43           HB1      LEU  43   9.879   7.095  -5.835
  305    HG   LEU  43           HG       LEU  43   7.801   8.182  -7.754
  306   HD11  LEU  43          HD11      LEU  43   9.769   9.629  -7.826
  307   HD12  LEU  43          HD12      LEU  43   9.647   8.643  -9.283
  308   HD13  LEU  43          HD13      LEU  43  10.801   8.214  -8.021
  309   HD21  LEU  43          HD21      LEU  43   9.841   5.954  -7.989
  310   HD22  LEU  43          HD22      LEU  43   8.669   6.423  -9.222
  311   HD23  LEU  43          HD23      LEU  43   8.115   5.733  -7.696
  312    H    ALA  44           HN       ALA  44   9.002   5.201  -4.371
  313    HA   ALA  44           HA       ALA  44   7.772   3.275  -5.984
  314    HB1  ALA  44           HB1      ALA  44   8.902   2.893  -3.202
  315    HB2  ALA  44           HB2      ALA  44   9.841   2.863  -4.693
  316    HB3  ALA  44           HB3      ALA  44   8.624   1.621  -4.388
  317    H    LEU  45           HN       LEU  45   6.970   4.431  -2.766
  318    HA   LEU  45           HA       LEU  45   4.817   2.674  -2.273
  319    HB2  LEU  45           HB2      LEU  45   6.100   3.898  -0.546
  320    HB3  LEU  45           HB1      LEU  45   5.357   5.387  -1.090
  321    HG   LEU  45           HG       LEU  45   3.184   4.623  -0.339
  322   HD11  LEU  45          HD11      LEU  45   2.955   2.518   0.882
  323   HD12  LEU  45          HD12      LEU  45   4.643   2.133   0.543
  324   HD13  LEU  45          HD13      LEU  45   3.478   2.231  -0.778
  325   HD21  LEU  45          HD21      LEU  45   4.640   5.781   1.230
  326   HD22  LEU  45          HD22      LEU  45   5.345   4.243   1.724
  327   HD23  LEU  45          HD23      LEU  45   3.647   4.583   2.057
  328    H    MET  46           HN       MET  46   4.986   5.875  -3.665
  329    HA   MET  46           HA       MET  46   2.199   6.390  -3.855
  330    HB2  MET  46           HB2      MET  46   4.405   7.350  -5.688
  331    HB3  MET  46           HB1      MET  46   2.803   8.052  -5.551
  332    HG2  MET  46           HG2      MET  46   4.788   7.927  -3.314
  333    HG3  MET  46           HG1      MET  46   4.639   9.286  -4.414
  334    HE1  MET  46           HE1      MET  46   4.343  10.904  -2.319
  335    HE2  MET  46           HE2      MET  46   4.550   9.522  -1.243
  336    HE3  MET  46           HE3      MET  46   3.190  10.625  -1.015
  337    H    GLU  47           HN       GLU  47   4.508   4.719  -5.833
  338    HA   GLU  47           HA       GLU  47   2.918   4.331  -8.144
  339    HB2  GLU  47           HB2      GLU  47   5.450   4.197  -7.691
  340    HB3  GLU  47           HB1      GLU  47   5.160   2.549  -7.178
  341    HG2  GLU  47           HG2      GLU  47   4.535   3.621  -9.942
  342    HG3  GLU  47           HG1      GLU  47   6.001   2.755  -9.520
  343    H    THR  48           HN       THR  48   3.684   2.332  -5.272
  344    HA   THR  48           HA       THR  48   2.134   0.089  -5.630
  345    HB   THR  48           HB       THR  48   2.432   1.661  -3.050
  346    HG1  THR  48           HG1      THR  48   4.344  -0.168  -3.193
  347   HG21  THR  48          HG21      THR  48   0.928  -0.275  -2.916
  348   HG22  THR  48          HG22      THR  48   2.408  -0.563  -1.996
  349   HG23  THR  48          HG23      THR  48   2.194  -1.307  -3.580
  350    H    ALA  49           HN       ALA  49   1.256   3.089  -3.937
  351    HA   ALA  49           HA       ALA  49  -1.397   2.503  -3.380
  352    HB1  ALA  49           HB1      ALA  49  -0.159   5.224  -3.775
  353    HB2  ALA  49           HB2      ALA  49  -0.134   4.292  -2.277
  354    HB3  ALA  49           HB3      ALA  49  -1.666   4.877  -2.927
  355    H    ALA  50           HN       ALA  50  -0.049   4.389  -6.086
  356    HA   ALA  50           HA       ALA  50  -2.372   5.231  -7.293
  357    HB1  ALA  50           HB1      ALA  50  -1.096   5.482  -9.336
  358    HB2  ALA  50           HB2      ALA  50   0.153   4.405  -8.711
  359    HB3  ALA  50           HB3      ALA  50  -0.126   5.969  -7.943
  360    H    ARG  51           HN       ARG  51  -0.806   2.126  -7.628
  361    HA   ARG  51           HA       ARG  51  -2.379   1.164  -9.791
  362    HB2  ARG  51           HB2      ARG  51  -0.885  -0.339  -7.642
  363    HB3  ARG  51           HB1      ARG  51  -1.541  -1.063  -9.104
  364    HG2  ARG  51           HG2      ARG  51  -0.041   0.200 -10.472
  365    HG3  ARG  51           HG1      ARG  51   0.523   1.121  -9.076
  366    HD2  ARG  51           HD2      ARG  51   2.125  -0.600  -9.666
  367    HD3  ARG  51           HD1      ARG  51   1.405  -0.937  -8.094
  368    HE   ARG  51           HE       ARG  51   0.191  -2.201 -10.395
  369   HH11  ARG  51          HH11      ARG  51   2.409  -2.529  -7.637
  370   HH12  ARG  51          HH12      ARG  51   2.391  -4.229  -7.643
  371   HH21  ARG  51          HH21      ARG  51   0.221  -4.547 -10.449
  372   HH22  ARG  51          HH22      ARG  51   1.148  -5.429  -9.328
  373    H    LEU  52           HN       LEU  52  -2.698   0.996  -6.314
  374    HA   LEU  52           HA       LEU  52  -4.999  -0.707  -6.376
  375    HB2  LEU  52           HB2      LEU  52  -3.849   0.984  -4.164
  376    HB3  LEU  52           HB1      LEU  52  -5.135  -0.188  -3.964
  377    HG   LEU  52           HG       LEU  52  -2.313  -0.843  -4.817
  378   HD11  LEU  52          HD11      LEU  52  -2.098  -1.823  -2.587
  379   HD12  LEU  52          HD12      LEU  52  -3.709  -1.234  -2.174
  380   HD13  LEU  52          HD13      LEU  52  -2.410  -0.089  -2.507
  381   HD21  LEU  52          HD21      LEU  52  -3.004  -3.167  -4.449
  382   HD22  LEU  52          HD22      LEU  52  -3.970  -2.403  -5.712
  383   HD23  LEU  52          HD23      LEU  52  -4.644  -2.624  -4.098
  384    H    GLU  53           HN       GLU  53  -4.367   2.735  -5.894
  385    HA   GLU  53           HA       GLU  53  -6.943   3.613  -5.279
  386    HB2  GLU  53           HB2      GLU  53  -4.948   5.196  -6.925
  387    HB3  GLU  53           HB1      GLU  53  -6.348   5.728  -6.009
  388    HG2  GLU  53           HG2      GLU  53  -5.289   5.340  -3.946
  389    HG3  GLU  53           HG1      GLU  53  -3.901   4.583  -4.745
  390    H    SER  54           HN       SER  54  -5.344   3.537  -8.454
  391    HA   SER  54           HA       SER  54  -7.495   4.657  -9.855
  392    HB2  SER  54           HB2      SER  54  -5.319   2.870 -10.961
  393    HB3  SER  54           HB1      SER  54  -6.258   4.080 -11.844
  394    HG   SER  54           HG       SER  54  -4.130   4.360 -10.103
  395    H    ARG  55           HN       ARG  55  -6.636   1.338  -9.168
  396    HA   ARG  55           HA       ARG  55  -8.544   0.252 -10.975
  397    HB2  ARG  55           HB2      ARG  55  -6.556  -0.969 -10.686
  398    HB3  ARG  55           HB1      ARG  55  -6.696  -0.946  -8.941
  399    HG2  ARG  55           HG2      ARG  55  -8.443  -2.563  -8.991
  400    HG3  ARG  55           HG1      ARG  55  -8.589  -2.431 -10.745
  401    HD2  ARG  55           HD2      ARG  55  -7.308  -4.443  -9.817
  402    HD3  ARG  55           HD1      ARG  55  -6.554  -3.528 -11.117
  403    HE   ARG  55           HE       ARG  55  -5.233  -2.415  -9.353
  404   HH11  ARG  55          HH11      ARG  55  -6.588  -5.627  -8.613
  405   HH12  ARG  55          HH12      ARG  55  -5.303  -6.090  -7.622
  406   HH21  ARG  55          HH21      ARG  55  -3.448  -3.092  -8.040
  407   HH22  ARG  55          HH22      ARG  55  -3.448  -4.617  -7.270
  408    H    TYR  56           HN       TYR  56  -8.570   0.870  -7.496
  409    HA   TYR  56           HA       TYR  56 -11.176  -0.421  -7.516
  410    HB2  TYR  56           HB2      TYR  56  -9.315   0.047  -5.207
  411    HB3  TYR  56           HB1      TYR  56 -10.985  -0.503  -5.012
  412    HD1  TYR  56           HD1      TYR  56 -11.710  -2.641  -5.971
  413    HD2  TYR  56           HD2      TYR  56  -7.629  -1.452  -6.023
  414    HE1  TYR  56           HE1      TYR  56 -11.059  -4.940  -6.518
  415    HE2  TYR  56           HE2      TYR  56  -6.967  -3.753  -6.568
  416    HH   TYR  56           HH       TYR  56  -9.153  -6.060  -7.640
  417    H    GLY  57           HN       GLY  57 -10.046   2.582  -7.747
  418    HA2  GLY  57           HA2      GLY  57 -11.365   4.455  -8.029
  419    HA3  GLY  57           HA1      GLY  57 -12.718   3.572  -7.344
  420    H    VAL  58           HN       VAL  58  -9.533   4.203  -5.951
  421    HA   VAL  58           HA       VAL  58 -10.891   5.886  -3.984
  422    HB   VAL  58           HB       VAL  58  -9.592   5.028  -2.119
  423   HG11  VAL  58          HG11      VAL  58 -11.654   3.842  -2.604
  424   HG12  VAL  58          HG12      VAL  58 -10.421   2.752  -1.945
  425   HG13  VAL  58          HG13      VAL  58 -10.748   2.766  -3.680
  426   HG21  VAL  58          HG21      VAL  58  -7.536   4.475  -3.355
  427   HG22  VAL  58          HG22      VAL  58  -8.366   3.022  -3.991
  428   HG23  VAL  58          HG23      VAL  58  -8.060   3.189  -2.272
  429    H    SER  59           HN       SER  59  -9.143   7.102  -2.630
  430    HA   SER  59           HA       SER  59  -6.834   7.756  -4.251
  431    HB2  SER  59           HB2      SER  59  -8.919   9.706  -3.290
  432    HB3  SER  59           HB1      SER  59  -7.306  10.191  -3.811
  433    HG   SER  59           HG       SER  59  -7.853   8.910  -5.765
  434    H    ILE  60           HN       ILE  60  -5.086   7.940  -3.099
  435    HA   ILE  60           HA       ILE  60  -5.279   8.334  -0.191
  436    HB   ILE  60           HB       ILE  60  -2.998   7.080  -1.789
  437   HG12  ILE  60          HG12      ILE  60  -4.927   5.590  -1.780
  438   HG13  ILE  60          HG11      ILE  60  -3.666   4.942  -0.736
  439   HG21  ILE  60          HG21      ILE  60  -3.384   7.282   1.203
  440   HG22  ILE  60          HG22      ILE  60  -2.204   8.182   0.254
  441   HG23  ILE  60          HG23      ILE  60  -2.054   6.438   0.413
  442   HD11  ILE  60          HD11      ILE  60  -5.858   4.670   0.264
  443   HD12  ILE  60          HD12      ILE  60  -6.136   6.409   0.163
  444   HD13  ILE  60          HD13      ILE  60  -4.875   5.777   1.223
  445    HA   PRO  61           HA       PRO  61  -3.687  12.365  -1.447
  446    HB2  PRO  61           HB2      PRO  61  -3.379  12.624   1.498
  447    HB3  PRO  61           HB1      PRO  61  -4.224  13.687   0.367
  448    HG2  PRO  61           HG2      PRO  61  -5.589  12.119   2.028
  449    HG3  PRO  61           HG1      PRO  61  -6.139  12.371   0.359
  450    HD2  PRO  61           HD2      PRO  61  -4.705  10.033   1.552
  451    HD3  PRO  61           HD1      PRO  61  -6.041  10.054   0.381
  452    H    ASP  62           HN       ASP  62  -1.615  12.802  -1.966
  453    HA   ASP  62           HA       ASP  62   0.528  11.142  -1.389
  454    HB2  ASP  62           HB2      ASP  62   1.984  12.799  -2.428
  455    HB3  ASP  62           HB1      ASP  62   0.487  12.660  -3.334
  456    H    ASP  63           HN       ASP  63  -0.519  14.011   0.285
  457    HA   ASP  63           HA       ASP  63   1.650  14.455   1.990
  458    HB2  ASP  63           HB2      ASP  63  -0.149  16.029   1.942
  459    HB3  ASP  63           HB1      ASP  63  -1.314  14.805   2.436
  460    H    VAL  64           HN       VAL  64  -1.108  12.338   2.327
  461    HA   VAL  64           HA       VAL  64  -0.279  11.389   4.906
  462    HB   VAL  64           HB       VAL  64  -2.439  10.243   3.118
  463   HG11  VAL  64          HG11      VAL  64  -2.036  10.121   6.103
  464   HG12  VAL  64          HG12      VAL  64  -1.794   8.801   4.957
  465   HG13  VAL  64          HG13      VAL  64  -3.411   9.450   5.223
  466   HG21  VAL  64          HG21      VAL  64  -2.683  12.435   5.182
  467   HG22  VAL  64          HG22      VAL  64  -4.030  11.665   4.341
  468   HG23  VAL  64          HG23      VAL  64  -2.858  12.622   3.437
  469    H    ALA  65           HN       ALA  65  -0.321  10.240   1.581
  470    HA   ALA  65           HA       ALA  65   0.466   7.597   1.940
  471    HB1  ALA  65           HB1      ALA  65   1.215   9.412  -0.342
  472    HB2  ALA  65           HB2      ALA  65  -0.290   8.494  -0.212
  473    HB3  ALA  65           HB3      ALA  65   1.257   7.654  -0.360
  474    H    GLY  66           HN       GLY  66   2.484  10.491   1.626
  475    HA2  GLY  66           HA2      GLY  66   4.938   9.085   1.713
  476    HA3  GLY  66           HA1      GLY  66   4.722  10.797   2.002
  477    H    ARG  67           HN       ARG  67   2.647   9.546   4.144
  478    HA   ARG  67           HA       ARG  67   4.667   9.404   6.273
  479    HB2  ARG  67           HB2      ARG  67   1.918  10.625   6.360
  480    HB3  ARG  67           HB1      ARG  67   2.941  10.381   7.766
  481    HG2  ARG  67           HG2      ARG  67   4.613  11.880   6.795
  482    HG3  ARG  67           HG1      ARG  67   3.557  12.134   5.402
  483    HD2  ARG  67           HD2      ARG  67   2.830  12.758   8.260
  484    HD3  ARG  67           HD1      ARG  67   3.413  13.937   7.092
  485    HE   ARG  67           HE       ARG  67   1.422  13.618   5.843
  486   HH11  ARG  67          HH11      ARG  67   1.307  12.218   9.139
  487   HH12  ARG  67          HH12      ARG  67  -0.390  12.172   9.187
  488   HH21  ARG  67          HH21      ARG  67  -0.837  13.718   6.013
  489   HH22  ARG  67          HH22      ARG  67  -1.687  13.090   7.347
  490    H    VAL  68           HN       VAL  68   2.562   7.447   4.649
  491    HA   VAL  68           HA       VAL  68   1.282   6.244   6.884
  492    HB   VAL  68           HB       VAL  68   0.655   4.336   5.354
  493   HG11  VAL  68          HG11      VAL  68   0.016   7.099   4.375
  494   HG12  VAL  68          HG12      VAL  68  -0.819   6.203   5.644
  495   HG13  VAL  68          HG13      VAL  68  -0.884   5.636   3.974
  496   HG21  VAL  68          HG21      VAL  68   2.499   4.362   3.756
  497   HG22  VAL  68          HG22      VAL  68   2.047   5.998   3.260
  498   HG23  VAL  68          HG23      VAL  68   0.969   4.660   2.915
  499    H    ASP  69           HN       ASP  69   2.235   5.434   8.361
  500    HA   ASP  69           HA       ASP  69   4.887   4.640   8.562
  501    HB2  ASP  69           HB2      ASP  69   3.406   5.391  10.391
  502    HB3  ASP  69           HB1      ASP  69   2.557   3.860  10.310
  503    H    THR  70           HN       THR  70   2.042   2.493   8.498
  504    HA   THR  70           HA       THR  70   3.842   0.250   7.839
  505    HB   THR  70           HB       THR  70   2.195  -1.207   8.947
  506    HG1  THR  70           HG1      THR  70   0.689   0.477  10.332
  507   HG21  THR  70          HG21      THR  70   3.039   1.101  10.714
  508   HG22  THR  70          HG22      THR  70   4.025  -0.306  10.321
  509   HG23  THR  70          HG23      THR  70   2.555  -0.499  11.277
  510    HA   PRO  71           HA       PRO  71   1.229  -0.510   4.214
  511    HB2  PRO  71           HB2      PRO  71   0.970  -3.320   5.185
  512    HB3  PRO  71           HB1      PRO  71   1.517  -2.733   3.606
  513    HG2  PRO  71           HG2      PRO  71   3.259  -3.699   5.341
  514    HG3  PRO  71           HG1      PRO  71   3.652  -2.243   4.406
  515    HD2  PRO  71           HD2      PRO  71   2.752  -2.481   7.250
  516    HD3  PRO  71           HD1      PRO  71   4.013  -1.442   6.552
  517    H    ARG  72           HN       ARG  72   0.299  -1.556   7.396
  518    HA   ARG  72           HA       ARG  72  -2.442  -2.087   6.996
  519    HB2  ARG  72           HB2      ARG  72  -0.790  -1.304   9.357
  520    HB3  ARG  72           HB1      ARG  72  -2.548  -1.441   9.534
  521    HG2  ARG  72           HG2      ARG  72  -2.295  -3.814   8.884
  522    HG3  ARG  72           HG1      ARG  72  -0.551  -3.568   8.769
  523    HD2  ARG  72           HD2      ARG  72  -0.512  -2.909  11.153
  524    HD3  ARG  72           HD1      ARG  72  -2.240  -3.235  11.254
  525    HE   ARG  72           HE       ARG  72  -1.552  -5.577  10.514
  526   HH11  ARG  72          HH11      ARG  72   0.258  -3.538  12.779
  527   HH12  ARG  72          HH12      ARG  72   1.179  -4.821  13.430
  528   HH21  ARG  72          HH21      ARG  72  -0.274  -7.358  11.446
  529   HH22  ARG  72          HH22      ARG  72   0.884  -7.033  12.638
  530    H    GLU  73           HN       GLU  73  -0.608   0.866   7.530
  531    HA   GLU  73           HA       GLU  73  -2.791   2.593   8.034
  532    HB2  GLU  73           HB2      GLU  73  -0.088   3.184   6.817
  533    HB3  GLU  73           HB1      GLU  73  -1.230   4.404   7.350
  534    HG2  GLU  73           HG2      GLU  73   0.020   2.327   9.126
  535    HG3  GLU  73           HG1      GLU  73   0.603   3.977   8.941
  536    H    LEU  74           HN       LEU  74  -1.035   1.806   5.066
  537    HA   LEU  74           HA       LEU  74  -2.502   3.493   3.334
  538    HB2  LEU  74           HB2      LEU  74  -0.235   2.195   2.965
  539    HB3  LEU  74           HB1      LEU  74  -1.283   0.887   2.469
  540    HG   LEU  74           HG       LEU  74  -1.241   3.573   1.085
  541   HD11  LEU  74          HD11      LEU  74   0.180   1.019   0.367
  542   HD12  LEU  74          HD12      LEU  74   0.936   2.517   0.908
  543   HD13  LEU  74          HD13      LEU  74   0.091   2.463  -0.639
  544   HD21  LEU  74          HD21      LEU  74  -2.314   0.882   0.221
  545   HD22  LEU  74          HD22      LEU  74  -2.330   2.362  -0.740
  546   HD23  LEU  74          HD23      LEU  74  -3.293   2.257   0.733
  547    H    LEU  75           HN       LEU  75  -2.851   0.071   4.185
  548    HA   LEU  75           HA       LEU  75  -5.064  -0.420   2.533
  549    HB2  LEU  75           HB2      LEU  75  -3.715  -2.241   3.335
  550    HB3  LEU  75           HB1      LEU  75  -4.083  -1.848   4.997
  551    HG   LEU  75           HG       LEU  75  -6.382  -2.600   4.714
  552   HD11  LEU  75          HD11      LEU  75  -6.708  -1.923   2.375
  553   HD12  LEU  75          HD12      LEU  75  -7.186  -3.585   2.648
  554   HD13  LEU  75          HD13      LEU  75  -5.649  -3.233   1.848
  555   HD21  LEU  75          HD21      LEU  75  -4.697  -4.256   5.309
  556   HD22  LEU  75          HD22      LEU  75  -4.391  -4.573   3.601
  557   HD23  LEU  75          HD23      LEU  75  -5.957  -4.973   4.307
  558    H    ASP  76           HN       ASP  76  -4.833   0.822   5.807
  559    HA   ASP  76           HA       ASP  76  -7.593   0.543   6.432
  560    HB2  ASP  76           HB2      ASP  76  -5.856   0.796   8.176
  561    HB3  ASP  76           HB1      ASP  76  -5.530   2.427   7.608
  562    H    LEU  77           HN       LEU  77  -5.620   3.115   5.103
  563    HA   LEU  77           HA       LEU  77  -7.591   5.109   4.951
  564    HB2  LEU  77           HB2      LEU  77  -5.233   4.605   3.153
  565    HB3  LEU  77           HB1      LEU  77  -6.197   6.061   3.140
  566    HG   LEU  77           HG       LEU  77  -4.442   5.102   5.404
  567   HD11  LEU  77          HD11      LEU  77  -3.209   5.921   3.496
  568   HD12  LEU  77          HD12      LEU  77  -3.105   7.049   4.845
  569   HD13  LEU  77          HD13      LEU  77  -4.175   7.395   3.487
  570   HD21  LEU  77          HD21      LEU  77  -6.092   7.619   5.145
  571   HD22  LEU  77          HD22      LEU  77  -4.971   7.249   6.454
  572   HD23  LEU  77          HD23      LEU  77  -6.428   6.278   6.239
  573    H    ILE  78           HN       ILE  78  -6.572   2.670   2.578
  574    HA   ILE  78           HA       ILE  78  -8.537   3.401   0.682
  575    HB   ILE  78           HB       ILE  78  -6.996   0.799   0.959
  576   HG12  ILE  78          HG12      ILE  78  -6.657   3.225  -0.798
  577   HG13  ILE  78          HG11      ILE  78  -5.533   2.588   0.395
  578   HG21  ILE  78          HG21      ILE  78  -9.084   0.351  -0.207
  579   HG22  ILE  78          HG22      ILE  78  -7.714   0.252  -1.314
  580   HG23  ILE  78          HG23      ILE  78  -8.757   1.675  -1.327
  581   HD11  ILE  78          HD11      ILE  78  -6.343   1.247  -2.149
  582   HD12  ILE  78          HD12      ILE  78  -5.159   0.619  -0.999
  583   HD13  ILE  78          HD13      ILE  78  -4.833   2.125  -1.915
  584    H    ASN  79           HN       ASN  79  -8.538   1.213   3.383
  585    HA   ASN  79           HA       ASN  79 -10.799  -0.306   2.778
  586    HB2  ASN  79           HB2      ASN  79  -9.003  -0.096   4.919
  587    HB3  ASN  79           HB1      ASN  79 -10.590   0.203   5.621
  588   HD21  ASN  79          HD21      ASN  79  -8.682  -2.034   3.771
  589   HD22  ASN  79          HD22      ASN  79  -9.576  -3.461   4.120
  590    H    GLY  80           HN       GLY  80 -10.546   2.727   4.597
  591    HA2  GLY  80           HA2      GLY  80 -13.321   2.970   5.117
  592    HA3  GLY  80           HA1      GLY  80 -12.155   4.287   5.150
  593    H    ALA  81           HN       ALA  81 -11.320   3.966   2.438
  594    HA   ALA  81           HA       ALA  81 -13.319   5.551   1.170
  595    HB1  ALA  81           HB1      ALA  81 -10.780   4.360   0.045
  596    HB2  ALA  81           HB2      ALA  81 -10.918   5.932   0.820
  597    HB3  ALA  81           HB3      ALA  81 -11.746   5.628  -0.707
  598    H    LEU  82           HN       LEU  82 -12.166   2.238   0.833
  599    HA   LEU  82           HA       LEU  82 -13.756   1.541  -1.393
  600    HB2  LEU  82           HB2      LEU  82 -12.356  -0.093   0.687
  601    HB3  LEU  82           HB1      LEU  82 -13.403  -0.848  -0.487
  602    HG   LEU  82           HG       LEU  82 -10.854   0.683  -1.104
  603   HD11  LEU  82          HD11      LEU  82 -10.043  -1.486  -1.799
  604   HD12  LEU  82          HD12      LEU  82 -11.566  -2.233  -1.315
  605   HD13  LEU  82          HD13      LEU  82 -10.511  -1.512  -0.101
  606   HD21  LEU  82          HD21      LEU  82 -12.576   0.999  -2.833
  607   HD22  LEU  82          HD22      LEU  82 -12.788  -0.751  -2.926
  608   HD23  LEU  82          HD23      LEU  82 -11.250  -0.021  -3.391
  609    H    ALA  83           HN       ALA  83 -14.456   1.737   1.988
  610    HA   ALA  83           HA       ALA  83 -16.791   0.162   1.946
  611    HB1  ALA  83           HB1      ALA  83 -15.721   0.869   4.039
  612    HB2  ALA  83           HB2      ALA  83 -17.415   1.352   4.001
  613    HB3  ALA  83           HB3      ALA  83 -16.148   2.544   3.697
  614    H    GLU  84           HN       GLU  84 -16.097   3.440   1.008
  615    HA   GLU  84           HA       GLU  84 -18.879   4.103   0.606
  616    HB2  GLU  84           HB2      GLU  84 -16.377   5.618  -0.162
  617    HB3  GLU  84           HB1      GLU  84 -18.016   6.232  -0.288
  618    HG2  GLU  84           HG2      GLU  84 -16.525   5.535   2.226
  619    HG3  GLU  84           HG1      GLU  84 -16.970   7.144   1.660
  620    H    ALA  85           HN       ALA  85 -16.005   3.509  -1.356
  621    HA   ALA  85           HA       ALA  85 -17.451   3.757  -3.838
  622    HB1  ALA  85           HB1      ALA  85 -15.158   4.579  -3.599
  623    HB2  ALA  85           HB2      ALA  85 -15.298   3.385  -4.888
  624    HB3  ALA  85           HB3      ALA  85 -14.596   2.929  -3.335
  625    H    ALA  86           HN       ALA  86 -17.880   1.434  -1.847
  626    HA   ALA  86           HA       ALA  86 -17.142  -0.942  -3.207
  627    HB1  ALA  86           HB1      ALA  86 -18.691  -2.066  -1.673
  628    HB2  ALA  86           HB2      ALA  86 -19.338  -0.502  -1.177
  629    HB3  ALA  86           HB3      ALA  86 -17.663  -0.921  -0.808
  630    H28  SXM  87          H28A      SXM  87   8.490  13.064   0.692
  631   H28A  SXM  87          H28B      SXM  87   8.622  13.521  -1.000
  632    H30  SXM  87          H30A      SXM  87   5.904  12.213  -1.709
  633   H30A  SXM  87          H30B      SXM  87   6.530  13.731  -2.355
  634   H30B  SXM  87          H30C      SXM  87   4.957  13.693  -1.557
  635    H31  SXM  87          H31C      SXM  87   4.820  13.387   0.911
  636   H31A  SXM  87          H31A      SXM  87   6.297  13.135   1.842
  637   H31B  SXM  87          H31B      SXM  87   5.728  11.884   0.737
  638    H32  SXM  87          H32A      SXM  87   5.757  15.539   0.246
  639   HO33  SXM  87          H33A      SXM  87   7.871  15.197  -1.586
  640   HN36  SXM  87          H36A      SXM  87   8.407  16.741  -0.274
  641    H37  SXM  87          H37B      SXM  87  10.251  16.239   1.857
  642   H37A  SXM  87          H37A      SXM  87   9.328  17.710   2.142
  643    H38  SXM  87          H38A      SXM  87  10.834  17.043  -0.381
  644   H38A  SXM  87          H38B      SXM  87  10.124  18.616   0.017
  645   HN41  SXM  87          H41A      SXM  87  12.432  18.701  -0.868
  646    H42  SXM  87          H42A      SXM  87  14.212  19.701   1.150
  647   H42A  SXM  87          H42B      SXM  87  14.749  18.204   0.425
  648    H43  SXM  87          H43A      SXM  87  14.316  20.782  -1.052
  649   H43A  SXM  87          H43B      SXM  87  14.387  19.201  -1.812
  650    H2   SXM  87           H2A      SXM  87  18.737  18.536  -0.886
  651    H2A  SXM  87           H2B      SXM  87  18.498  17.178  -1.971
  Start of MODEL    7
    1    H1   MET   1           HT1      MET   1 -21.867  -6.592  -0.795
    2    H2   MET   1           HT2      MET   1 -21.775  -4.935  -0.589
    3    H3   MET   1           HT3      MET   1 -22.431  -5.880   0.653
    4    HA   MET   1           HA       MET   1 -20.222  -5.134   1.187
    5    HB2  MET   1           HB2      MET   1 -20.193  -8.050   0.354
    6    HB3  MET   1           HB1      MET   1 -18.980  -7.291   1.370
    7    HG2  MET   1           HG2      MET   1 -20.723  -6.830   3.042
    8    HG3  MET   1           HG1      MET   1 -21.884  -7.676   2.025
    9    HE1  MET   1           HE1      MET   1 -19.985 -10.059   0.896
   10    HE2  MET   1           HE2      MET   1 -21.651 -10.313   1.413
   11    HE3  MET   1           HE3      MET   1 -20.367 -11.340   2.045
   12    H    ALA   2           HN       ALA   2 -18.254  -4.559   0.541
   13    HA   ALA   2           HA       ALA   2 -17.666  -4.921  -2.301
   14    HB1  ALA   2           HB1      ALA   2 -16.672  -2.850  -0.329
   15    HB2  ALA   2           HB2      ALA   2 -17.881  -2.582  -1.585
   16    HB3  ALA   2           HB3      ALA   2 -16.214  -2.949  -2.030
   17    H    THR   3           HN       THR   3 -15.896  -6.068  -2.805
   18    HA   THR   3           HA       THR   3 -14.469  -7.386  -0.670
   19    HB   THR   3           HB       THR   3 -14.047  -7.449  -3.609
   20    HG1  THR   3           HG1      THR   3 -16.025  -8.456  -2.014
   21   HG21  THR   3          HG21      THR   3 -13.307  -9.437  -1.446
   22   HG22  THR   3          HG22      THR   3 -12.186  -8.401  -2.328
   23   HG23  THR   3          HG23      THR   3 -13.045  -9.688  -3.173
   24    H    LEU   4           HN       LEU   4 -13.013  -6.182   0.296
   25    HA   LEU   4           HA       LEU   4 -11.762  -3.924  -0.992
   26    HB2  LEU   4           HB2      LEU   4 -11.071  -5.058   1.715
   27    HB3  LEU   4           HB1      LEU   4 -10.840  -3.419   1.143
   28    HG   LEU   4           HG       LEU   4 -13.390  -4.770   1.838
   29   HD11  LEU   4          HD11      LEU   4 -13.593  -3.010   3.549
   30   HD12  LEU   4          HD12      LEU   4 -11.953  -2.496   3.156
   31   HD13  LEU   4          HD13      LEU   4 -12.243  -4.117   3.808
   32   HD21  LEU   4          HD21      LEU   4 -14.527  -2.616   1.432
   33   HD22  LEU   4          HD22      LEU   4 -13.827  -3.311  -0.031
   34   HD23  LEU   4          HD23      LEU   4 -13.015  -1.976   0.789
   35    H    LEU   5           HN       LEU   5  -9.323  -3.743  -0.463
   36    HA   LEU   5           HA       LEU   5  -8.016  -5.924  -1.728
   37    HB2  LEU   5           HB2      LEU   5  -6.897  -3.445  -0.347
   38    HB3  LEU   5           HB1      LEU   5  -5.938  -4.630  -1.217
   39    HG   LEU   5           HG       LEU   5  -8.073  -2.858  -2.369
   40   HD11  LEU   5          HD11      LEU   5  -6.057  -1.662  -1.751
   41   HD12  LEU   5          HD12      LEU   5  -6.190  -1.788  -3.507
   42   HD13  LEU   5          HD13      LEU   5  -5.073  -2.831  -2.627
   43   HD21  LEU   5          HD21      LEU   5  -6.232  -4.841  -3.692
   44   HD22  LEU   5          HD22      LEU   5  -7.322  -3.733  -4.523
   45   HD23  LEU   5          HD23      LEU   5  -7.976  -5.011  -3.497
   46    H    THR   6           HN       THR   6  -7.105  -7.657  -0.745
   47    HA   THR   6           HA       THR   6  -7.339  -7.797   2.107
   48    HB   THR   6           HB       THR   6  -6.452 -10.099   1.838
   49    HG1  THR   6           HG1      THR   6  -6.534  -9.656  -0.964
   50   HG21  THR   6          HG21      THR   6  -8.657  -9.423  -0.127
   51   HG22  THR   6          HG22      THR   6  -8.876  -9.727   1.595
   52   HG23  THR   6          HG23      THR   6  -8.329 -11.024   0.534
   53    H    THR   7           HN       THR   7  -5.126  -9.194   2.875
   54    HA   THR   7           HA       THR   7  -3.173  -7.137   2.880
   55    HB   THR   7           HB       THR   7  -2.985  -9.941   4.003
   56    HG1  THR   7           HG1      THR   7  -3.780  -8.694   5.958
   57   HG21  THR   7          HG21      THR   7  -1.501  -8.845   5.634
   58   HG22  THR   7          HG22      THR   7  -1.759  -7.297   4.823
   59   HG23  THR   7          HG23      THR   7  -0.913  -8.595   3.988
   60    H    ASP   8           HN       ASP   8  -3.837 -10.124   1.285
   61    HA   ASP   8           HA       ASP   8  -1.224 -10.411   0.150
   62    HB2  ASP   8           HB2      ASP   8  -2.624 -12.367   0.544
   63    HB3  ASP   8           HB1      ASP   8  -3.815 -11.754  -0.598
   64    H    ASP   9           HN       ASP   9  -4.333  -9.126  -0.907
   65    HA   ASP   9           HA       ASP   9  -3.616  -8.491  -3.576
   66    HB2  ASP   9           HB2      ASP   9  -5.498  -6.997  -1.725
   67    HB3  ASP   9           HB1      ASP   9  -5.259  -6.558  -3.404
   68    H    LEU  10           HN       LEU  10  -3.328  -6.711  -0.586
   69    HA   LEU  10           HA       LEU  10  -1.991  -4.452  -1.525
   70    HB2  LEU  10           HB2      LEU  10  -2.935  -4.657   0.727
   71    HB3  LEU  10           HB1      LEU  10  -1.764  -5.897   1.113
   72    HG   LEU  10           HG       LEU  10   0.041  -4.204   0.839
   73   HD11  LEU  10          HD11      LEU  10  -2.260  -2.266   0.685
   74   HD12  LEU  10          HD12      LEU  10  -1.121  -2.640  -0.608
   75   HD13  LEU  10          HD13      LEU  10  -0.556  -1.840   0.860
   76   HD21  LEU  10          HD21      LEU  10  -0.800  -4.807   3.025
   77   HD22  LEU  10          HD22      LEU  10  -2.100  -3.630   2.864
   78   HD23  LEU  10          HD23      LEU  10  -0.425  -3.081   2.974
   79    H    ARG  11           HN       ARG  11  -0.743  -7.444  -0.094
   80    HA   ARG  11           HA       ARG  11   1.955  -7.185  -0.196
   81    HB2  ARG  11           HB2      ARG  11   0.925  -9.120   0.755
   82    HB3  ARG  11           HB1      ARG  11   0.268  -9.602  -0.795
   83    HG2  ARG  11           HG2      ARG  11   2.565 -10.026  -1.601
   84    HG3  ARG  11           HG1      ARG  11   3.172  -9.615   0.010
   85    HD2  ARG  11           HD2      ARG  11   1.178 -11.805  -0.563
   86    HD3  ARG  11           HD1      ARG  11   2.912 -12.057  -0.371
   87    HE   ARG  11           HE       ARG  11   2.624 -11.078   1.871
   88   HH11  ARG  11          HH11      ARG  11  -0.118 -12.763   0.284
   89   HH12  ARG  11          HH12      ARG  11  -0.808 -13.274   1.748
   90   HH21  ARG  11          HH21      ARG  11   1.586 -11.807   3.890
   91   HH22  ARG  11          HH22      ARG  11   0.127 -12.667   3.825
   92    H    ARG  12           HN       ARG  12   0.073  -8.609  -2.896
   93    HA   ARG  12           HA       ARG  12   2.490  -8.761  -4.404
   94    HB2  ARG  12           HB2      ARG  12  -0.327  -9.371  -5.292
   95    HB3  ARG  12           HB1      ARG  12   1.118  -9.686  -6.249
   96    HG2  ARG  12           HG2      ARG  12   0.489 -10.906  -3.558
   97    HG3  ARG  12           HG1      ARG  12   0.339 -11.714  -5.119
   98    HD2  ARG  12           HD2      ARG  12   2.747 -11.629  -5.457
   99    HD3  ARG  12           HD1      ARG  12   2.957 -10.602  -4.056
  100    HE   ARG  12           HE       ARG  12   1.740 -13.107  -3.433
  101   HH11  ARG  12          HH11      ARG  12   4.878 -11.622  -4.123
  102   HH12  ARG  12          HH12      ARG  12   5.719 -12.495  -2.926
  103   HH21  ARG  12          HH21      ARG  12   2.871 -14.318  -1.791
  104   HH22  ARG  12          HH22      ARG  12   4.540 -14.065  -1.547
  105    H    ALA  13           HN       ALA  13   0.146  -6.312  -4.176
  106    HA   ALA  13           HA       ALA  13   1.077  -5.030  -6.586
  107    HB1  ALA  13           HB1      ALA  13  -1.179  -4.591  -5.730
  108    HB2  ALA  13           HB2      ALA  13  -0.228  -3.107  -5.788
  109    HB3  ALA  13           HB3      ALA  13  -0.492  -3.927  -4.248
  110    H    LEU  14           HN       LEU  14   1.605  -4.849  -3.141
  111    HA   LEU  14           HA       LEU  14   3.286  -2.641  -2.914
  112    HB2  LEU  14           HB2      LEU  14   2.074  -3.946  -1.115
  113    HB3  LEU  14           HB1      LEU  14   3.315  -5.164  -1.252
  114    HG   LEU  14           HG       LEU  14   4.975  -3.394  -0.565
  115   HD11  LEU  14          HD11      LEU  14   3.653  -1.436  -1.116
  116   HD12  LEU  14          HD12      LEU  14   4.094  -1.435   0.592
  117   HD13  LEU  14          HD13      LEU  14   2.459  -1.880   0.102
  118   HD21  LEU  14          HD21      LEU  14   2.765  -4.093   1.363
  119   HD22  LEU  14          HD22      LEU  14   4.379  -3.538   1.804
  120   HD23  LEU  14          HD23      LEU  14   4.175  -5.086   0.984
  121    H    VAL  15           HN       VAL  15   3.984  -6.074  -3.346
  122    HA   VAL  15           HA       VAL  15   6.803  -5.906  -3.315
  123    HB   VAL  15           HB       VAL  15   5.066  -7.984  -4.696
  124   HG11  VAL  15          HG11      VAL  15   7.033  -9.430  -4.544
  125   HG12  VAL  15          HG12      VAL  15   7.960  -8.090  -3.876
  126   HG13  VAL  15          HG13      VAL  15   7.350  -8.003  -5.530
  127   HG21  VAL  15          HG21      VAL  15   5.454  -9.340  -2.695
  128   HG22  VAL  15          HG22      VAL  15   4.618  -7.840  -2.301
  129   HG23  VAL  15          HG23      VAL  15   6.341  -8.005  -1.962
  130    H    GLU  16           HN       GLU  16   4.492  -5.744  -5.982
  131    HA   GLU  16           HA       GLU  16   6.403  -5.708  -8.047
  132    HB2  GLU  16           HB2      GLU  16   3.519  -4.934  -7.890
  133    HB3  GLU  16           HB1      GLU  16   4.455  -4.620  -9.349
  134    HG2  GLU  16           HG2      GLU  16   4.278  -7.329  -8.080
  135    HG3  GLU  16           HG1      GLU  16   3.135  -6.757  -9.297
  136    H    SER  17           HN       SER  17   4.604  -3.053  -6.521
  137    HA   SER  17           HA       SER  17   6.027  -1.095  -7.998
  138    HB2  SER  17           HB2      SER  17   4.257  -0.847  -5.582
  139    HB3  SER  17           HB1      SER  17   4.765   0.471  -6.638
  140    HG   SER  17           HG       SER  17   3.036  -0.004  -7.675
  141    H    ALA  18           HN       ALA  18   6.982  -2.966  -5.466
  142    HA   ALA  18           HA       ALA  18   8.455  -1.162  -3.825
  143    HB1  ALA  18           HB1      ALA  18   9.606  -3.157  -3.021
  144    HB2  ALA  18           HB2      ALA  18   8.910  -4.093  -4.345
  145    HB3  ALA  18           HB3      ALA  18   7.862  -3.420  -3.100
  146    H    GLY  19           HN       GLY  19   8.959  -2.495  -6.922
  147    HA2  GLY  19           HA2      GLY  19  11.263  -1.024  -7.437
  148    HA3  GLY  19           HA1      GLY  19  11.724  -2.681  -7.044
  149    H    GLU  20           HN       GLU  20  12.008  -3.860  -8.781
  150    HA   GLU  20           HA       GLU  20  10.141  -3.500 -11.009
  151    HB2  GLU  20           HB2      GLU  20  12.219  -2.207 -11.372
  152    HB3  GLU  20           HB1      GLU  20  13.133  -3.700 -11.233
  153    HG2  GLU  20           HG2      GLU  20  11.979  -4.578 -13.195
  154    HG3  GLU  20           HG1      GLU  20  11.082  -3.065 -13.332
  155    H    THR  21           HN       THR  21   9.203  -5.391 -11.293
  156    HA   THR  21           HA       THR  21   8.797  -7.562 -11.663
  157    HB   THR  21           HB       THR  21  11.785  -7.924 -11.984
  158    HG1  THR  21           HG1      THR  21  11.620  -6.879 -13.819
  159   HG21  THR  21          HG21      THR  21  11.131  -9.739 -13.533
  160   HG22  THR  21          HG22      THR  21   9.430  -9.403 -13.199
  161   HG23  THR  21          HG23      THR  21  10.478 -10.012 -11.917
  162    H    ASP  22           HN       ASP  22   8.195  -7.493  -9.436
  163    HA   ASP  22           HA       ASP  22   8.114  -8.135  -7.278
  164    HB2  ASP  22           HB2      ASP  22   8.239 -10.388  -8.338
  165    HB3  ASP  22           HB1      ASP  22   9.998 -10.352  -8.146
  166    H    GLY  23           HN       GLY  23   9.079  -6.293  -6.557
  167    HA2  GLY  23           HA2      GLY  23  11.927  -5.993  -6.522
  168    HA3  GLY  23           HA1      GLY  23  10.747  -4.874  -5.869
  169    H    THR  24           HN       THR  24   9.558  -5.883  -3.896
  170    HA   THR  24           HA       THR  24  11.535  -7.131  -2.123
  171    HB   THR  24           HB       THR  24   9.696  -4.805  -1.458
  172    HG1  THR  24           HG1      THR  24  11.953  -4.817  -2.775
  173   HG21  THR  24          HG21      THR  24  11.016  -4.688   0.628
  174   HG22  THR  24          HG22      THR  24  11.954  -6.090   0.115
  175   HG23  THR  24          HG23      THR  24  10.234  -6.260   0.469
  176    H    ASP  25           HN       ASP  25  10.490  -9.076  -2.170
  177    HA   ASP  25           HA       ASP  25   7.697  -9.466  -2.045
  178    HB2  ASP  25           HB2      ASP  25   9.155 -11.193  -2.906
  179    HB3  ASP  25           HB1      ASP  25   9.959 -11.335  -1.347
  180    H    LEU  26           HN       LEU  26   6.344  -9.289  -0.414
  181    HA   LEU  26           HA       LEU  26   7.393  -9.627   2.290
  182    HB2  LEU  26           HB2      LEU  26   5.073  -7.915   1.388
  183    HB3  LEU  26           HB1      LEU  26   5.288  -8.378   3.053
  184    HG   LEU  26           HG       LEU  26   6.047  -6.200   2.913
  185   HD11  LEU  26          HD11      LEU  26   7.502  -7.528   4.218
  186   HD12  LEU  26          HD12      LEU  26   8.425  -6.268   3.393
  187   HD13  LEU  26          HD13      LEU  26   8.475  -7.934   2.804
  188   HD21  LEU  26          HD21      LEU  26   7.678  -5.359   1.286
  189   HD22  LEU  26          HD22      LEU  26   6.201  -5.936   0.519
  190   HD23  LEU  26          HD23      LEU  26   7.661  -6.927   0.479
  191    H    SER  27           HN       SER  27   7.056 -11.957   1.572
  192    HA   SER  27           HA       SER  27   4.304 -12.794   1.902
  193    HB2  SER  27           HB2      SER  27   6.829 -14.433   1.599
  194    HB3  SER  27           HB1      SER  27   5.185 -15.085   1.584
  195    HG   SER  27           HG       SER  27   6.480 -13.415  -0.279
  196    H    GLY  28           HN       GLY  28   3.472 -13.725   3.705
  197    HA2  GLY  28           HA2      GLY  28   3.739 -14.654   5.935
  198    HA3  GLY  28           HA1      GLY  28   5.184 -13.656   6.116
  199    H    ASP  29           HN       ASP  29   4.178 -12.746   8.080
  200    HA   ASP  29           HA       ASP  29   1.904 -11.001   7.500
  201    HB2  ASP  29           HB2      ASP  29   1.844 -12.520   9.531
  202    HB3  ASP  29           HB1      ASP  29   3.156 -11.556  10.203
  203    H    PHE  30           HN       PHE  30   2.276  -8.948   7.073
  204    HA   PHE  30           HA       PHE  30   4.860  -7.809   7.946
  205    HB2  PHE  30           HB2      PHE  30   5.141  -6.775   5.720
  206    HB3  PHE  30           HB1      PHE  30   5.132  -8.529   5.658
  207    HD1  PHE  30           HD2      PHE  30   3.177  -9.714   4.699
  208    HD2  PHE  30           HD1      PHE  30   3.478  -5.484   4.609
  209    HE1  PHE  30           HE2      PHE  30   1.431  -9.625   2.978
  210    HE2  PHE  30           HE1      PHE  30   1.730  -5.389   2.888
  211    HZ   PHE  30           HZ       PHE  30   0.707  -7.462   2.072
  212    H    LEU  31           HN       LEU  31   1.954  -7.384   8.754
  213    HA   LEU  31           HA       LEU  31   1.097  -4.887   7.763
  214    HB2  LEU  31           HB2      LEU  31   0.280  -6.396  10.227
  215    HB3  LEU  31           HB1      LEU  31  -0.387  -4.831   9.837
  216    HG   LEU  31           HG       LEU  31  -1.934  -6.505   9.179
  217   HD11  LEU  31          HD11      LEU  31  -1.817  -4.604   7.720
  218   HD12  LEU  31          HD12      LEU  31  -2.194  -6.056   6.790
  219   HD13  LEU  31          HD13      LEU  31  -0.566  -5.382   6.753
  220   HD21  LEU  31          HD21      LEU  31   0.271  -7.728   7.533
  221   HD22  LEU  31          HD22      LEU  31  -1.419  -8.235   7.524
  222   HD23  LEU  31          HD23      LEU  31  -0.451  -8.410   8.991
  223    H    ASP  32           HN       ASP  32   3.125  -5.661  10.521
  224    HA   ASP  32           HA       ASP  32   3.081  -2.811  11.224
  225    HB2  ASP  32           HB2      ASP  32   4.048  -3.376  13.398
  226    HB3  ASP  32           HB1      ASP  32   2.569  -4.271  13.112
  227    H    LEU  33           HN       LEU  33   4.721  -4.301   9.100
  228    HA   LEU  33           HA       LEU  33   7.400  -3.623   9.941
  229    HB2  LEU  33           HB2      LEU  33   6.353  -4.504   7.243
  230    HB3  LEU  33           HB1      LEU  33   8.043  -4.211   7.602
  231    HG   LEU  33           HG       LEU  33   6.305  -6.384   8.771
  232   HD11  LEU  33          HD11      LEU  33   8.672  -6.485   6.914
  233   HD12  LEU  33          HD12      LEU  33   6.992  -6.798   6.482
  234   HD13  LEU  33          HD13      LEU  33   7.834  -7.880   7.594
  235   HD21  LEU  33          HD21      LEU  33   9.212  -5.753   9.304
  236   HD22  LEU  33          HD22      LEU  33   8.340  -7.174   9.884
  237   HD23  LEU  33          HD23      LEU  33   7.880  -5.567  10.445
  238    H    ARG  34           HN       ARG  34   8.655  -1.974   9.037
  239    HA   ARG  34           HA       ARG  34   6.999   0.346   8.318
  240    HB2  ARG  34           HB2      ARG  34   9.847   0.215   9.315
  241    HB3  ARG  34           HB1      ARG  34   8.975   1.694   8.938
  242    HG2  ARG  34           HG2      ARG  34   7.370   1.207  10.712
  243    HG3  ARG  34           HG1      ARG  34   8.228  -0.287  11.082
  244    HD2  ARG  34           HD2      ARG  34   9.376   2.497  11.264
  245    HD3  ARG  34           HD1      ARG  34   8.822   1.526  12.626
  246    HE   ARG  34           HE       ARG  34  10.640  -0.094  11.526
  247   HH11  ARG  34          HH11      ARG  34  10.832   3.266  12.645
  248   HH12  ARG  34          HH12      ARG  34  12.535   3.261  12.734
  249   HH21  ARG  34          HH21      ARG  34  12.910  -0.086  11.738
  250   HH22  ARG  34          HH22      ARG  34  13.758   1.359  12.127
  251    H    PHE  35           HN       PHE  35   7.226   1.399   6.454
  252    HA   PHE  35           HA       PHE  35   8.471   0.130   4.282
  253    HB2  PHE  35           HB2      PHE  35   7.368   2.932   4.511
  254    HB3  PHE  35           HB1      PHE  35   7.964   2.246   3.003
  255    HD1  PHE  35           HD2      PHE  35   6.949  -0.344   2.777
  256    HD2  PHE  35           HD1      PHE  35   5.067   3.019   4.573
  257    HE1  PHE  35           HE2      PHE  35   4.753  -1.357   2.368
  258    HE2  PHE  35           HE1      PHE  35   2.874   2.009   4.176
  259    HZ   PHE  35           HZ       PHE  35   2.708  -0.182   3.069
  260    H    GLU  36           HN       GLU  36   9.554   2.805   6.296
  261    HA   GLU  36           HA       GLU  36  11.872   3.513   4.872
  262    HB2  GLU  36           HB2      GLU  36  12.710   4.417   6.991
  263    HB3  GLU  36           HB1      GLU  36  11.015   4.830   6.762
  264    HG2  GLU  36           HG2      GLU  36  10.313   3.240   8.369
  265    HG3  GLU  36           HG1      GLU  36  11.901   2.482   8.420
  266    H    ASP  37           HN       ASP  37  11.149   0.777   6.782
  267    HA   ASP  37           HA       ASP  37  13.893   0.031   7.317
  268    HB2  ASP  37           HB2      ASP  37  12.153  -0.346   9.002
  269    HB3  ASP  37           HB1      ASP  37  11.280  -1.374   7.879
  270    H    ILE  38           HN       ILE  38  11.118  -1.200   5.500
  271    HA   ILE  38           HA       ILE  38  12.727  -3.278   4.341
  272    HB   ILE  38           HB       ILE  38  10.661  -3.998   3.154
  273   HG12  ILE  38          HG12      ILE  38   9.376  -1.735   4.719
  274   HG13  ILE  38          HG11      ILE  38   9.558  -1.791   2.971
  275   HG21  ILE  38          HG21      ILE  38   9.519  -4.768   5.194
  276   HG22  ILE  38          HG22      ILE  38  10.457  -3.598   6.131
  277   HG23  ILE  38          HG23      ILE  38  11.276  -4.921   5.300
  278   HD11  ILE  38          HD11      ILE  38   8.059  -3.726   2.887
  279   HD12  ILE  38          HD12      ILE  38   7.289  -2.333   3.645
  280   HD13  ILE  38          HD13      ILE  38   7.887  -3.661   4.641
  281    H    GLY  39           HN       GLY  39  13.364  -0.553   3.629
  282    HA2  GLY  39           HA2      GLY  39  14.370   0.452   1.805
  283    HA3  GLY  39           HA1      GLY  39  14.192  -1.081   0.978
  284    H    TYR  40           HN       TYR  40  11.641   1.053   2.192
  285    HA   TYR  40           HA       TYR  40  10.710   1.290  -0.561
  286    HB2  TYR  40           HB2      TYR  40   9.276   1.249   2.046
  287    HB3  TYR  40           HB1      TYR  40   8.595   2.167   0.715
  288    HD1  TYR  40           HD1      TYR  40  10.255  -1.153   1.046
  289    HD2  TYR  40           HD2      TYR  40   6.864   1.039  -0.280
  290    HE1  TYR  40           HE1      TYR  40   9.263  -3.213   0.227
  291    HE2  TYR  40           HE2      TYR  40   5.849  -1.022  -1.133
  292    HH   TYR  40           HH       TYR  40   7.023  -4.106  -0.360
  293    H    ASP  41           HN       ASP  41  11.645   3.052  -1.347
  294    HA   ASP  41           HA       ASP  41  11.651   5.542   0.072
  295    HB2  ASP  41           HB2      ASP  41  13.180   5.178  -1.870
  296    HB3  ASP  41           HB1      ASP  41  11.787   4.975  -2.926
  297    H    SER  42           HN       SER  42  10.109   7.299  -0.435
  298    HA   SER  42           HA       SER  42   7.509   6.353  -0.403
  299    HB2  SER  42           HB2      SER  42   7.085   8.888  -0.923
  300    HB3  SER  42           HB1      SER  42   7.615   8.366   0.670
  301    H    LEU  43           HN       LEU  43   9.530   7.142  -3.122
  302    HA   LEU  43           HA       LEU  43   7.525   7.494  -5.053
  303    HB2  LEU  43           HB2      LEU  43   9.815   7.926  -5.628
  304    HB3  LEU  43           HB1      LEU  43  10.284   6.291  -5.222
  305    HG   LEU  43           HG       LEU  43   9.119   5.434  -7.183
  306   HD11  LEU  43          HD11      LEU  43   7.290   7.021  -7.308
  307   HD12  LEU  43          HD12      LEU  43   8.141   6.917  -8.840
  308   HD13  LEU  43          HD13      LEU  43   8.406   8.306  -7.776
  309   HD21  LEU  43          HD21      LEU  43  10.552   6.420  -8.897
  310   HD22  LEU  43          HD22      LEU  43  11.435   6.118  -7.401
  311   HD23  LEU  43          HD23      LEU  43  10.927   7.757  -7.809
  312    H    ALA  44           HN       ALA  44   9.148   4.579  -3.901
  313    HA   ALA  44           HA       ALA  44   7.705   2.727  -5.461
  314    HB1  ALA  44           HB1      ALA  44   9.016   2.326  -2.764
  315    HB2  ALA  44           HB2      ALA  44   9.812   2.164  -4.328
  316    HB3  ALA  44           HB3      ALA  44   8.527   1.044  -3.873
  317    H    LEU  45           HN       LEU  45   7.185   4.111  -2.303
  318    HA   LEU  45           HA       LEU  45   4.943   2.586  -1.578
  319    HB2  LEU  45           HB2      LEU  45   6.247   3.843   0.037
  320    HB3  LEU  45           HB1      LEU  45   5.801   5.348  -0.730
  321    HG   LEU  45           HG       LEU  45   3.500   5.090   0.006
  322   HD11  LEU  45          HD11      LEU  45   3.356   2.657  -0.111
  323   HD12  LEU  45          HD12      LEU  45   2.856   3.251   1.473
  324   HD13  LEU  45          HD13      LEU  45   4.449   2.523   1.266
  325   HD21  LEU  45          HD21      LEU  45   5.498   4.618   2.209
  326   HD22  LEU  45          HD22      LEU  45   3.873   5.272   2.411
  327   HD23  LEU  45          HD23      LEU  45   5.082   6.180   1.497
  328    H    MET  46           HN       MET  46   5.197   5.786  -3.140
  329    HA   MET  46           HA       MET  46   2.457   6.334  -3.475
  330    HB2  MET  46           HB2      MET  46   4.813   7.118  -5.197
  331    HB3  MET  46           HB1      MET  46   3.193   7.747  -5.410
  332    HG2  MET  46           HG2      MET  46   4.852   8.057  -2.942
  333    HG3  MET  46           HG1      MET  46   4.733   9.235  -4.247
  334    HE1  MET  46           HE1      MET  46   1.654   9.034  -5.043
  335    HE2  MET  46           HE2      MET  46   2.496  10.570  -4.831
  336    HE3  MET  46           HE3      MET  46   0.953  10.294  -4.022
  337    H    GLU  47           HN       GLU  47   4.807   4.752  -5.518
  338    HA   GLU  47           HA       GLU  47   3.191   4.242  -7.731
  339    HB2  GLU  47           HB2      GLU  47   5.630   4.267  -7.624
  340    HB3  GLU  47           HB1      GLU  47   5.616   2.797  -6.681
  341    HG2  GLU  47           HG2      GLU  47   6.175   2.372  -9.030
  342    HG3  GLU  47           HG1      GLU  47   4.713   1.539  -8.502
  343    H    THR  48           HN       THR  48   3.542   2.588  -4.694
  344    HA   THR  48           HA       THR  48   2.125   0.217  -5.481
  345    HB   THR  48           HB       THR  48   2.596   1.379  -2.715
  346    HG1  THR  48           HG1      THR  48   4.563   0.827  -3.881
  347   HG21  THR  48          HG21      THR  48   2.166  -0.914  -1.934
  348   HG22  THR  48          HG22      THR  48   1.813  -1.404  -3.594
  349   HG23  THR  48          HG23      THR  48   0.769  -0.242  -2.774
  350    H    ALA  49           HN       ALA  49   1.386   2.969  -3.362
  351    HA   ALA  49           HA       ALA  49  -1.278   2.380  -2.884
  352    HB1  ALA  49           HB1      ALA  49   0.036   5.092  -2.852
  353    HB2  ALA  49           HB2      ALA  49   0.049   3.928  -1.526
  354    HB3  ALA  49           HB3      ALA  49  -1.472   4.653  -2.049
  355    H    ALA  50           HN       ALA  50   0.023   4.812  -5.165
  356    HA   ALA  50           HA       ALA  50  -2.485   5.693  -6.048
  357    HB1  ALA  50           HB1      ALA  50  -0.426   7.000  -6.275
  358    HB2  ALA  50           HB2      ALA  50  -1.297   6.863  -7.804
  359    HB3  ALA  50           HB3      ALA  50   0.138   5.879  -7.514
  360    H    ARG  51           HN       ARG  51  -0.545   3.045  -7.114
  361    HA   ARG  51           HA       ARG  51  -1.827   2.598  -9.595
  362    HB2  ARG  51           HB2      ARG  51   0.338   1.610  -8.976
  363    HB3  ARG  51           HB1      ARG  51  -0.460   0.636  -7.754
  364    HG2  ARG  51           HG2      ARG  51  -1.659  -0.583  -9.439
  365    HG3  ARG  51           HG1      ARG  51  -1.006   0.462 -10.704
  366    HD2  ARG  51           HD2      ARG  51   0.581  -1.357  -8.902
  367    HD3  ARG  51           HD1      ARG  51   0.210  -1.645 -10.605
  368    HE   ARG  51           HE       ARG  51   1.609   0.819  -9.980
  369   HH11  ARG  51          HH11      ARG  51   1.876  -2.497 -11.157
  370   HH12  ARG  51          HH12      ARG  51   3.417  -2.287 -11.839
  371   HH21  ARG  51          HH21      ARG  51   3.612   1.138 -10.881
  372   HH22  ARG  51          HH22      ARG  51   4.485  -0.084 -11.687
  373    H    LEU  52           HN       LEU  52  -2.425   1.527  -6.320
  374    HA   LEU  52           HA       LEU  52  -4.670  -0.158  -6.928
  375    HB2  LEU  52           HB2      LEU  52  -3.806   1.111  -4.324
  376    HB3  LEU  52           HB1      LEU  52  -4.981  -0.179  -4.499
  377    HG   LEU  52           HG       LEU  52  -2.056  -0.425  -5.202
  378   HD11  LEU  52          HD11      LEU  52  -1.888  -1.807  -3.198
  379   HD12  LEU  52          HD12      LEU  52  -3.564  -1.433  -2.796
  380   HD13  LEU  52          HD13      LEU  52  -2.352  -0.154  -2.803
  381   HD21  LEU  52          HD21      LEU  52  -4.257  -2.482  -5.031
  382   HD22  LEU  52          HD22      LEU  52  -2.550  -2.816  -5.337
  383   HD23  LEU  52          HD23      LEU  52  -3.491  -1.895  -6.508
  384    H    GLU  53           HN       GLU  53  -4.142   3.056  -5.672
  385    HA   GLU  53           HA       GLU  53  -6.629   4.027  -5.117
  386    HB2  GLU  53           HB2      GLU  53  -4.364   5.480  -6.491
  387    HB3  GLU  53           HB1      GLU  53  -5.778   6.169  -5.694
  388    HG2  GLU  53           HG2      GLU  53  -3.895   4.432  -4.218
  389    HG3  GLU  53           HG1      GLU  53  -3.630   6.169  -4.396
  390    H    SER  54           HN       SER  54  -4.964   4.484  -8.232
  391    HA   SER  54           HA       SER  54  -7.191   5.620  -9.509
  392    HB2  SER  54           HB2      SER  54  -4.793   4.289 -10.775
  393    HB3  SER  54           HB1      SER  54  -5.860   5.480 -11.521
  394    HG   SER  54           HG       SER  54  -4.976   6.574  -9.266
  395    H    ARG  55           HN       ARG  55  -6.130   2.288  -9.160
  396    HA   ARG  55           HA       ARG  55  -7.726   1.295 -11.323
  397    HB2  ARG  55           HB2      ARG  55  -5.737   0.041 -10.603
  398    HB3  ARG  55           HB1      ARG  55  -6.471  -0.236  -9.027
  399    HG2  ARG  55           HG2      ARG  55  -8.309  -1.460 -10.150
  400    HG3  ARG  55           HG1      ARG  55  -7.455  -1.272 -11.674
  401    HD2  ARG  55           HD2      ARG  55  -6.382  -2.694  -9.246
  402    HD3  ARG  55           HD1      ARG  55  -7.173  -3.482 -10.600
  403    HE   ARG  55           HE       ARG  55  -4.867  -1.903 -11.308
  404   HH11  ARG  55          HH11      ARG  55  -6.170  -5.096 -10.598
  405   HH12  ARG  55          HH12      ARG  55  -4.769  -5.968 -11.006
  406   HH21  ARG  55          HH21      ARG  55  -2.921  -3.059 -11.924
  407   HH22  ARG  55          HH22      ARG  55  -2.864  -4.781 -11.771
  408    H    TYR  56           HN       TYR  56  -8.102   1.294  -7.786
  409    HA   TYR  56           HA       TYR  56 -10.698   0.029  -8.131
  410    HB2  TYR  56           HB2      TYR  56  -9.159   0.578  -5.585
  411    HB3  TYR  56           HB1      TYR  56 -10.664  -0.336  -5.696
  412    HD1  TYR  56           HD1      TYR  56 -10.668  -2.537  -6.954
  413    HD2  TYR  56           HD2      TYR  56  -7.079  -0.437  -6.073
  414    HE1  TYR  56           HE1      TYR  56  -9.357  -4.572  -7.425
  415    HE2  TYR  56           HE2      TYR  56  -5.768  -2.449  -6.538
  416    HH   TYR  56           HH       TYR  56  -6.022  -4.858  -6.627
  417    H    GLY  57           HN       GLY  57  -9.569   3.122  -7.977
  418    HA2  GLY  57           HA2      GLY  57 -10.788   5.055  -8.140
  419    HA3  GLY  57           HA1      GLY  57 -12.247   4.114  -7.888
  420    H    VAL  58           HN       VAL  58  -9.363   4.827  -5.933
  421    HA   VAL  58           HA       VAL  58 -11.154   5.981  -3.934
  422    HB   VAL  58           HB       VAL  58  -9.693   5.138  -2.079
  423   HG11  VAL  58          HG11      VAL  58 -11.650   3.803  -2.780
  424   HG12  VAL  58          HG12      VAL  58 -10.304   2.800  -2.190
  425   HG13  VAL  58          HG13      VAL  58 -10.582   2.966  -3.921
  426   HG21  VAL  58          HG21      VAL  58  -7.641   4.928  -3.380
  427   HG22  VAL  58          HG22      VAL  58  -8.369   3.536  -4.221
  428   HG23  VAL  58          HG23      VAL  58  -8.037   3.453  -2.493
  429    H    SER  59           HN       SER  59  -9.540   7.352  -2.228
  430    HA   SER  59           HA       SER  59  -7.646   8.729  -3.925
  431    HB2  SER  59           HB2      SER  59  -9.860   9.772  -4.388
  432    HB3  SER  59           HB1      SER  59  -9.964  10.234  -2.694
  433    HG   SER  59           HG       SER  59  -8.979  11.645  -4.566
  434    H    ILE  60           HN       ILE  60  -6.163   7.924  -2.452
  435    HA   ILE  60           HA       ILE  60  -5.887   9.355   0.084
  436    HB   ILE  60           HB       ILE  60  -4.196   7.162  -1.215
  437   HG12  ILE  60          HG12      ILE  60  -5.978   7.062   1.229
  438   HG13  ILE  60          HG11      ILE  60  -6.395   6.433  -0.360
  439   HG21  ILE  60          HG21      ILE  60  -2.729   8.600   0.137
  440   HG22  ILE  60          HG22      ILE  60  -2.889   7.029   0.894
  441   HG23  ILE  60          HG23      ILE  60  -3.791   8.400   1.526
  442   HD11  ILE  60          HD11      ILE  60  -4.159   5.450   1.406
  443   HD12  ILE  60          HD12      ILE  60  -4.561   4.829  -0.198
  444   HD13  ILE  60          HD13      ILE  60  -5.715   4.660   1.126
  445    HA   PRO  61           HA       PRO  61  -3.727  12.486  -2.399
  446    HB2  PRO  61           HB2      PRO  61  -3.298  13.643   0.291
  447    HB3  PRO  61           HB1      PRO  61  -4.052  14.367  -1.136
  448    HG2  PRO  61           HG2      PRO  61  -5.514  13.615   0.966
  449    HG3  PRO  61           HG1      PRO  61  -6.112  13.421  -0.692
  450    HD2  PRO  61           HD2      PRO  61  -4.967  11.376   1.163
  451    HD3  PRO  61           HD1      PRO  61  -6.341  11.243   0.043
  452    H    ASP  62           HN       ASP  62  -1.557  13.199  -2.607
  453    HA   ASP  62           HA       ASP  62   0.521  11.446  -2.265
  454    HB2  ASP  62           HB2      ASP  62   0.793  14.465  -2.212
  455    HB3  ASP  62           HB1      ASP  62   2.075  13.326  -2.569
  456    H    ASP  63           HN       ASP  63  -0.169  14.224  -0.186
  457    HA   ASP  63           HA       ASP  63   1.935  13.814   1.647
  458    HB2  ASP  63           HB2      ASP  63   0.896  15.979   1.446
  459    HB3  ASP  63           HB1      ASP  63  -0.654  15.335   1.963
  460    H    VAL  64           HN       VAL  64  -1.146  12.351   1.452
  461    HA   VAL  64           HA       VAL  64  -1.056  11.304   4.167
  462    HB   VAL  64           HB       VAL  64  -3.039  10.718   1.939
  463   HG11  VAL  64          HG11      VAL  64  -3.017   8.977   3.644
  464   HG12  VAL  64          HG12      VAL  64  -4.509   9.911   3.729
  465   HG13  VAL  64          HG13      VAL  64  -3.225  10.194   4.904
  466   HG21  VAL  64          HG21      VAL  64  -3.072  13.074   2.522
  467   HG22  VAL  64          HG22      VAL  64  -3.239  12.666   4.229
  468   HG23  VAL  64          HG23      VAL  64  -4.536  12.278   3.099
  469    H    ALA  65           HN       ALA  65  -0.623  10.249   0.839
  470    HA   ALA  65           HA       ALA  65  -0.307   7.493   1.333
  471    HB1  ALA  65           HB1      ALA  65   0.888   9.157  -0.874
  472    HB2  ALA  65           HB2      ALA  65  -0.704   8.383  -0.928
  473    HB3  ALA  65           HB3      ALA  65   0.772   7.405  -0.864
  474    H    GLY  66           HN       GLY  66   1.938  10.195   1.264
  475    HA2  GLY  66           HA2      GLY  66   4.185   8.485   1.872
  476    HA3  GLY  66           HA1      GLY  66   4.209  10.241   1.757
  477    H    ARG  67           HN       ARG  67   1.682   9.132   3.683
  478    HA   ARG  67           HA       ARG  67   3.178   9.804   6.122
  479    HB2  ARG  67           HB2      ARG  67   1.188  11.227   5.276
  480    HB3  ARG  67           HB1      ARG  67   0.182   9.889   5.793
  481    HG2  ARG  67           HG2      ARG  67   0.223  11.599   7.482
  482    HG3  ARG  67           HG1      ARG  67   1.055  10.159   8.078
  483    HD2  ARG  67           HD2      ARG  67   2.289  12.201   8.633
  484    HD3  ARG  67           HD1      ARG  67   3.207  11.154   7.555
  485    HE   ARG  67           HE       ARG  67   1.775  13.015   6.014
  486   HH11  ARG  67          HH11      ARG  67   4.540  12.919   8.245
  487   HH12  ARG  67          HH12      ARG  67   5.332  14.272   7.563
  488   HH21  ARG  67          HH21      ARG  67   2.866  14.927   5.078
  489   HH22  ARG  67          HH22      ARG  67   4.340  15.437   5.730
  490    H    VAL  68           HN       VAL  68   2.056   7.211   4.433
  491    HA   VAL  68           HA       VAL  68   1.242   5.746   6.805
  492    HB   VAL  68           HB       VAL  68   0.621   3.862   5.250
  493   HG11  VAL  68          HG11      VAL  68  -1.371   4.940   4.341
  494   HG12  VAL  68          HG12      VAL  68  -0.649   6.516   4.678
  495   HG13  VAL  68          HG13      VAL  68  -1.038   5.423   6.004
  496   HG21  VAL  68          HG21      VAL  68   1.193   5.862   3.041
  497   HG22  VAL  68          HG22      VAL  68   0.339   4.371   2.830
  498   HG23  VAL  68          HG23      VAL  68   2.056   4.333   3.275
  499    H    ASP  69           HN       ASP  69   2.643   4.590   7.905
  500    HA   ASP  69           HA       ASP  69   5.293   4.193   6.729
  501    HB2  ASP  69           HB2      ASP  69   4.359   4.294   9.582
  502    HB3  ASP  69           HB1      ASP  69   5.940   3.669   9.139
  503    H    THR  70           HN       THR  70   2.640   2.503   8.072
  504    HA   THR  70           HA       THR  70   4.056  -0.012   7.557
  505    HB   THR  70           HB       THR  70   2.357  -1.049   9.074
  506    HG1  THR  70           HG1      THR  70   1.662   1.678   9.477
  507   HG21  THR  70          HG21      THR  70   3.306  -0.211  11.174
  508   HG22  THR  70          HG22      THR  70   3.945   1.192  10.314
  509   HG23  THR  70          HG23      THR  70   4.563  -0.422   9.951
  510    HA   PRO  71           HA       PRO  71   1.215  -0.919   4.250
  511    HB2  PRO  71           HB2      PRO  71   1.123  -3.654   5.431
  512    HB3  PRO  71           HB1      PRO  71   1.532  -3.160   3.782
  513    HG2  PRO  71           HG2      PRO  71   3.442  -3.930   5.452
  514    HG3  PRO  71           HG1      PRO  71   3.705  -2.541   4.371
  515    HD2  PRO  71           HD2      PRO  71   3.038  -2.609   7.281
  516    HD3  PRO  71           HD1      PRO  71   4.195  -1.578   6.414
  517    H    ARG  72           HN       ARG  72   0.565  -1.825   7.532
  518    HA   ARG  72           HA       ARG  72  -2.125  -2.541   7.513
  519    HB2  ARG  72           HB2      ARG  72  -0.691  -2.697   9.492
  520    HB3  ARG  72           HB1      ARG  72  -0.580  -0.949   9.564
  521    HG2  ARG  72           HG2      ARG  72  -3.054  -0.888   9.926
  522    HG3  ARG  72           HG1      ARG  72  -3.013  -2.647  10.059
  523    HD2  ARG  72           HD2      ARG  72  -1.475  -0.712  11.786
  524    HD3  ARG  72           HD1      ARG  72  -2.945  -1.561  12.256
  525    HE   ARG  72           HE       ARG  72  -1.591  -3.643  11.846
  526   HH11  ARG  72          HH11      ARG  72  -0.047  -0.614  12.878
  527   HH12  ARG  72          HH12      ARG  72   1.160  -1.362  13.806
  528   HH21  ARG  72          HH21      ARG  72   0.059  -4.687  13.185
  529   HH22  ARG  72          HH22      ARG  72   1.172  -3.744  14.041
  530    H    GLU  73           HN       GLU  73  -0.593   0.636   7.751
  531    HA   GLU  73           HA       GLU  73  -2.956   2.139   8.061
  532    HB2  GLU  73           HB2      GLU  73  -0.205   2.910   7.115
  533    HB3  GLU  73           HB1      GLU  73  -1.470   4.069   7.485
  534    HG2  GLU  73           HG2      GLU  73  -1.487   3.455   9.766
  535    HG3  GLU  73           HG1      GLU  73  -0.463   2.053   9.457
  536    H    LEU  74           HN       LEU  74  -0.970   1.416   5.212
  537    HA   LEU  74           HA       LEU  74  -2.401   2.977   3.320
  538    HB2  LEU  74           HB2      LEU  74  -0.093   1.601   3.158
  539    HB3  LEU  74           HB1      LEU  74  -1.183   0.356   2.572
  540    HG   LEU  74           HG       LEU  74  -0.892   3.047   1.243
  541   HD11  LEU  74          HD11      LEU  74   1.217   1.875   1.160
  542   HD12  LEU  74          HD12      LEU  74   0.453   1.873  -0.429
  543   HD13  LEU  74          HD13      LEU  74   0.412   0.419   0.571
  544   HD21  LEU  74          HD21      LEU  74  -3.008   1.889   0.753
  545   HD22  LEU  74          HD22      LEU  74  -2.106   0.450   0.277
  546   HD23  LEU  74          HD23      LEU  74  -1.955   1.936  -0.662
  547    H    LEU  75           HN       LEU  75  -2.707  -0.415   4.310
  548    HA   LEU  75           HA       LEU  75  -4.834  -1.003   2.566
  549    HB2  LEU  75           HB2      LEU  75  -3.412  -2.731   3.516
  550    HB3  LEU  75           HB1      LEU  75  -4.008  -2.363   5.122
  551    HG   LEU  75           HG       LEU  75  -6.270  -3.105   4.430
  552   HD11  LEU  75          HD11      LEU  75  -6.073  -2.602   2.050
  553   HD12  LEU  75          HD12      LEU  75  -6.656  -4.208   2.367
  554   HD13  LEU  75          HD13      LEU  75  -4.975  -3.975   1.851
  555   HD21  LEU  75          HD21      LEU  75  -4.728  -4.665   5.516
  556   HD22  LEU  75          HD22      LEU  75  -4.080  -5.120   3.940
  557   HD23  LEU  75          HD23      LEU  75  -5.755  -5.495   4.345
  558    H    ASP  76           HN       ASP  76  -4.725   0.115   5.915
  559    HA   ASP  76           HA       ASP  76  -7.477  -0.257   6.448
  560    HB2  ASP  76           HB2      ASP  76  -5.939  -0.026   8.296
  561    HB3  ASP  76           HB1      ASP  76  -5.452   1.572   7.754
  562    H    LEU  77           HN       LEU  77  -5.628   2.476   5.279
  563    HA   LEU  77           HA       LEU  77  -7.691   4.341   5.122
  564    HB2  LEU  77           HB2      LEU  77  -5.269   3.945   3.390
  565    HB3  LEU  77           HB1      LEU  77  -6.342   5.309   3.224
  566    HG   LEU  77           HG       LEU  77  -4.573   4.667   5.596
  567   HD11  LEU  77          HD11      LEU  77  -4.533   6.922   3.606
  568   HD12  LEU  77          HD12      LEU  77  -3.395   5.582   3.679
  569   HD13  LEU  77          HD13      LEU  77  -3.466   6.748   4.995
  570   HD21  LEU  77          HD21      LEU  77  -6.518   6.947   5.212
  571   HD22  LEU  77          HD22      LEU  77  -5.392   6.756   6.556
  572   HD23  LEU  77          HD23      LEU  77  -6.714   5.609   6.341
  573    H    ILE  78           HN       ILE  78  -6.541   2.055   2.655
  574    HA   ILE  78           HA       ILE  78  -8.589   2.739   0.829
  575    HB   ILE  78           HB       ILE  78  -6.649   0.429   0.917
  576   HG12  ILE  78          HG12      ILE  78  -6.925   2.859  -0.854
  577   HG13  ILE  78          HG11      ILE  78  -5.671   2.546   0.334
  578   HG21  ILE  78          HG21      ILE  78  -8.658  -0.447  -0.146
  579   HG22  ILE  78          HG22      ILE  78  -7.375  -0.234  -1.337
  580   HG23  ILE  78          HG23      ILE  78  -8.695   0.932  -1.242
  581   HD11  ILE  78          HD11      ILE  78  -6.125   0.886  -2.115
  582   HD12  ILE  78          HD12      ILE  78  -4.719   0.822  -1.026
  583   HD13  ILE  78          HD13      ILE  78  -5.009   2.249  -2.059
  584    H    ASN  79           HN       ASN  79  -8.389   0.441   3.386
  585    HA   ASN  79           HA       ASN  79 -10.698  -1.059   2.725
  586    HB2  ASN  79           HB2      ASN  79  -9.060  -0.750   5.189
  587    HB3  ASN  79           HB1      ASN  79 -10.663  -1.445   5.360
  588   HD21  ASN  79          HD21      ASN  79  -8.839  -1.926   2.452
  589   HD22  ASN  79          HD22      ASN  79  -8.461  -3.595   2.726
  590    H    GLY  80           HN       GLY  80 -10.306   1.998   4.303
  591    HA2  GLY  80           HA2      GLY  80 -13.084   2.074   5.105
  592    HA3  GLY  80           HA1      GLY  80 -11.930   3.406   5.188
  593    H    ALA  81           HN       ALA  81 -11.033   3.301   2.563
  594    HA   ALA  81           HA       ALA  81 -12.879   5.051   1.365
  595    HB1  ALA  81           HB1      ALA  81 -11.267   5.127  -0.467
  596    HB2  ALA  81           HB2      ALA  81 -10.435   3.722   0.199
  597    HB3  ALA  81           HB3      ALA  81 -10.449   5.237   1.091
  598    H    LEU  82           HN       LEU  82 -11.867   1.755   0.562
  599    HA   LEU  82           HA       LEU  82 -13.600   1.498  -1.658
  600    HB2  LEU  82           HB2      LEU  82 -11.983  -0.392  -0.042
  601    HB3  LEU  82           HB1      LEU  82 -13.159  -1.031  -1.153
  602    HG   LEU  82           HG       LEU  82 -10.739   0.675  -1.865
  603   HD11  LEU  82          HD11      LEU  82  -9.972  -1.337  -2.975
  604   HD12  LEU  82          HD12      LEU  82 -11.396  -2.216  -2.404
  605   HD13  LEU  82          HD13      LEU  82 -10.205  -1.615  -1.252
  606   HD21  LEU  82          HD21      LEU  82 -11.407   0.294  -4.184
  607   HD22  LEU  82          HD22      LEU  82 -12.671   1.166  -3.316
  608   HD23  LEU  82          HD23      LEU  82 -12.854  -0.557  -3.641
  609    H    ALA  83           HN       ALA  83 -14.039   0.987   1.750
  610    HA   ALA  83           HA       ALA  83 -16.312  -0.695   1.543
  611    HB1  ALA  83           HB1      ALA  83 -14.987  -0.596   3.591
  612    HB2  ALA  83           HB2      ALA  83 -16.673  -0.187   3.913
  613    HB3  ALA  83           HB3      ALA  83 -15.457   1.088   3.824
  614    H    GLU  84           HN       GLU  84 -15.822   2.761   2.102
  615    HA   GLU  84           HA       GLU  84 -18.562   3.479   2.016
  616    HB2  GLU  84           HB2      GLU  84 -16.027   5.063   1.627
  617    HB3  GLU  84           HB1      GLU  84 -17.627   5.790   1.654
  618    HG2  GLU  84           HG2      GLU  84 -16.447   4.185   3.902
  619    HG3  GLU  84           HG1      GLU  84 -16.421   5.947   3.800
  620    H    ALA  85           HN       ALA  85 -15.960   3.320  -0.322
  621    HA   ALA  85           HA       ALA  85 -15.840   3.179  -2.535
  622    HB1  ALA  85           HB1      ALA  85 -17.572   1.459  -2.323
  623    HB2  ALA  85           HB2      ALA  85 -17.746   2.370  -3.823
  624    HB3  ALA  85           HB3      ALA  85 -18.821   2.698  -2.461
  625    H    ALA  86           HN       ALA  86 -16.217   5.683  -1.254
  626    HA   ALA  86           HA       ALA  86 -17.675   7.212  -3.276
  627    HB1  ALA  86           HB1      ALA  86 -18.305   7.669  -0.950
  628    HB2  ALA  86           HB2      ALA  86 -17.544   9.081  -1.678
  629    HB3  ALA  86           HB3      ALA  86 -16.630   8.064  -0.566
  630    H28  SXM  87          H28A      SXM  87   8.034  13.156  -1.566
  631   H28A  SXM  87          H28B      SXM  87   7.014  12.135  -2.586
  632    H30  SXM  87          H30A      SXM  87   4.138  12.025  -0.299
  633   H30A  SXM  87          H30B      SXM  87   5.484  10.885  -0.285
  634   H30B  SXM  87          H30C      SXM  87   4.806  11.425  -1.820
  635    H31  SXM  87          H31C      SXM  87   7.151  14.089   0.563
  636   H31A  SXM  87          H31A      SXM  87   6.825  12.447   1.125
  637   H31B  SXM  87          H31B      SXM  87   5.537  13.651   1.120
  638    H32  SXM  87          H32A      SXM  87   5.017  13.773  -2.549
  639   HO33  SXM  87          H33A      SXM  87   6.625  15.045  -2.841
  640   HN36  SXM  87          H36A      SXM  87   4.790  16.469  -1.624
  641    H37  SXM  87          H37B      SXM  87   3.541  17.469   0.382
  642   H37A  SXM  87          H37A      SXM  87   2.335  16.235   0.004
  643    H38  SXM  87          H38A      SXM  87   3.191  18.483  -1.803
  644   H38A  SXM  87          H38B      SXM  87   2.060  17.210  -2.218
  645   HN41  SXM  87          H41A      SXM  87   0.958  19.312  -2.647
  646    H42  SXM  87          H42A      SXM  87  -1.252  19.611  -0.957
  647   H42A  SXM  87          H42B      SXM  87  -0.135  20.938  -0.662
  648    H43  SXM  87          H43A      SXM  87  -1.356  20.216  -3.318
  649   H43A  SXM  87          H43B      SXM  87  -0.193  21.522  -3.027
  650    H2   SXM  87           H2A      SXM  87  -3.944  23.902  -2.600
  651    H2A  SXM  87           H2B      SXM  87  -4.184  23.902  -4.346
  Start of MODEL    8
    1    H1   MET   1           HT1      MET   1 -15.474  -6.475   6.048
    2    H2   MET   1           HT2      MET   1 -15.968  -8.067   5.863
    3    H3   MET   1           HT3      MET   1 -16.009  -7.356   7.381
    4    HA   MET   1           HA       MET   1 -18.197  -7.594   6.292
    5    HB2  MET   1           HB2      MET   1 -17.335  -4.711   6.729
    6    HB3  MET   1           HB1      MET   1 -18.994  -5.276   6.678
    7    HG2  MET   1           HG2      MET   1 -16.927  -6.037   8.725
    8    HG3  MET   1           HG1      MET   1 -18.244  -4.892   8.958
    9    HE1  MET   1           HE1      MET   1 -20.815  -5.582   9.090
   10    HE2  MET   1           HE2      MET   1 -21.395  -7.222   8.806
   11    HE3  MET   1           HE3      MET   1 -20.675  -6.300   7.486
   12    H    ALA   2           HN       ALA   2 -16.608  -4.762   4.823
   13    HA   ALA   2           HA       ALA   2 -18.120  -5.188   2.381
   14    HB1  ALA   2           HB1      ALA   2 -16.191  -3.011   3.196
   15    HB2  ALA   2           HB2      ALA   2 -17.948  -2.932   3.334
   16    HB3  ALA   2           HB3      ALA   2 -17.191  -3.011   1.743
   17    H    THR   3           HN       THR   3 -16.836  -4.890   0.281
   18    HA   THR   3           HA       THR   3 -14.681  -6.775   0.269
   19    HB   THR   3           HB       THR   3 -14.718  -6.231  -2.224
   20    HG1  THR   3           HG1      THR   3 -15.693  -4.465  -2.691
   21   HG21  THR   3          HG21      THR   3 -15.945  -8.139  -1.305
   22   HG22  THR   3          HG22      THR   3 -16.848  -7.389  -2.621
   23   HG23  THR   3          HG23      THR   3 -17.318  -7.091  -0.947
   24    H    LEU   4           HN       LEU   4 -12.777  -6.118   0.928
   25    HA   LEU   4           HA       LEU   4 -11.846  -3.415   0.221
   26    HB2  LEU   4           HB2      LEU   4 -11.139  -5.027   2.680
   27    HB3  LEU   4           HB1      LEU   4 -10.612  -3.394   2.312
   28    HG   LEU   4           HG       LEU   4 -13.426  -4.246   2.877
   29   HD11  LEU   4          HD11      LEU   4 -11.493  -2.741   4.605
   30   HD12  LEU   4          HD12      LEU   4 -12.081  -4.384   4.867
   31   HD13  LEU   4          HD13      LEU   4 -13.192  -3.019   4.982
   32   HD21  LEU   4          HD21      LEU   4 -13.375  -2.334   1.389
   33   HD22  LEU   4          HD22      LEU   4 -12.280  -1.487   2.485
   34   HD23  LEU   4          HD23      LEU   4 -13.932  -1.841   2.989
   35    H    LEU   5           HN       LEU   5  -9.346  -3.464   0.510
   36    HA   LEU   5           HA       LEU   5  -8.339  -5.438  -1.282
   37    HB2  LEU   5           HB2      LEU   5  -6.906  -3.290   0.343
   38    HB3  LEU   5           HB1      LEU   5  -6.102  -4.398  -0.760
   39    HG   LEU   5           HG       LEU   5  -8.166  -2.336  -1.448
   40   HD11  LEU   5          HD11      LEU   5  -6.288  -1.248  -2.554
   41   HD12  LEU   5          HD12      LEU   5  -5.206  -2.511  -1.965
   42   HD13  LEU   5          HD13      LEU   5  -5.998  -1.420  -0.823
   43   HD21  LEU   5          HD21      LEU   5  -7.637  -2.918  -3.743
   44   HD22  LEU   5          HD22      LEU   5  -8.317  -4.290  -2.870
   45   HD23  LEU   5          HD23      LEU   5  -6.581  -4.210  -3.179
   46    H    THR   6           HN       THR   6  -7.375  -7.346  -0.801
   47    HA   THR   6           HA       THR   6  -7.309  -8.083   1.968
   48    HB   THR   6           HB       THR   6  -6.523 -10.297   1.099
   49    HG1  THR   6           HG1      THR   6  -7.094  -9.405  -1.505
   50   HG21  THR   6          HG21      THR   6  -8.977  -9.190  -0.284
   51   HG22  THR   6          HG22      THR   6  -8.932  -9.852   1.351
   52   HG23  THR   6          HG23      THR   6  -8.624 -10.900  -0.034
   53    H    THR   7           HN       THR   7  -5.141  -9.488   2.488
   54    HA   THR   7           HA       THR   7  -3.087  -7.544   2.518
   55    HB   THR   7           HB       THR   7  -2.801 -10.478   3.183
   56    HG1  THR   7           HG1      THR   7  -4.063 -10.224   4.765
   57   HG21  THR   7          HG21      THR   7  -1.228  -9.598   4.856
   58   HG22  THR   7          HG22      THR   7  -1.581  -7.955   4.308
   59   HG23  THR   7          HG23      THR   7  -0.780  -9.088   3.227
   60    H    ASP   8           HN       ASP   8  -3.737 -10.562   0.834
   61    HA   ASP   8           HA       ASP   8  -1.295 -10.753  -0.550
   62    HB2  ASP   8           HB2      ASP   8  -3.967 -12.012  -0.987
   63    HB3  ASP   8           HB1      ASP   8  -2.701 -12.187  -2.200
   64    H    ASP   9           HN       ASP   9  -4.334  -9.208  -1.467
   65    HA   ASP   9           HA       ASP   9  -3.356  -8.608  -4.072
   66    HB2  ASP   9           HB2      ASP   9  -5.806  -8.674  -3.436
   67    HB3  ASP   9           HB1      ASP   9  -5.563  -7.116  -2.646
   68    H    LEU  10           HN       LEU  10  -3.496  -6.839  -1.036
   69    HA   LEU  10           HA       LEU  10  -2.347  -4.410  -1.811
   70    HB2  LEU  10           HB2      LEU  10  -3.247  -4.787   0.420
   71    HB3  LEU  10           HB1      LEU  10  -2.056  -6.025   0.733
   72    HG   LEU  10           HG       LEU  10  -0.291  -4.248   0.644
   73   HD11  LEU  10          HD11      LEU  10  -0.968  -1.930   0.878
   74   HD12  LEU  10          HD12      LEU  10  -2.651  -2.398   0.628
   75   HD13  LEU  10          HD13      LEU  10  -1.470  -2.604  -0.673
   76   HD21  LEU  10          HD21      LEU  10  -1.157  -5.073   2.758
   77   HD22  LEU  10          HD22      LEU  10  -2.469  -3.896   2.695
   78   HD23  LEU  10          HD23      LEU  10  -0.798  -3.350   2.859
   79    H    ARG  11           HN       ARG  11  -0.892  -7.401  -0.704
   80    HA   ARG  11           HA       ARG  11   1.771  -6.747  -0.792
   81    HB2  ARG  11           HB2      ARG  11   1.004  -8.718   0.335
   82    HB3  ARG  11           HB1      ARG  11   0.434  -9.417  -1.172
   83    HG2  ARG  11           HG2      ARG  11   2.601  -9.821  -1.928
   84    HG3  ARG  11           HG1      ARG  11   3.306  -8.728  -0.738
   85    HD2  ARG  11           HD2      ARG  11   3.717 -11.032  -0.130
   86    HD3  ARG  11           HD1      ARG  11   2.678 -10.249   1.044
   87    HE   ARG  11           HE       ARG  11   0.936 -11.529  -0.608
   88   HH11  ARG  11          HH11      ARG  11   3.743 -12.432   1.291
   89   HH12  ARG  11          HH12      ARG  11   3.270 -14.046   1.580
   90   HH21  ARG  11          HH21      ARG  11   0.181 -13.791  -0.210
   91   HH22  ARG  11          HH22      ARG  11   1.206 -14.844   0.645
   92    H    ARG  12           HN       ARG  12  -0.137  -8.312  -3.453
   93    HA   ARG  12           HA       ARG  12   2.045  -8.690  -5.092
   94    HB2  ARG  12           HB2      ARG  12  -0.173  -9.763  -5.219
   95    HB3  ARG  12           HB1      ARG  12  -0.825  -8.262  -5.849
   96    HG2  ARG  12           HG2      ARG  12  -0.416  -9.877  -7.541
   97    HG3  ARG  12           HG1      ARG  12   0.572  -8.412  -7.757
   98    HD2  ARG  12           HD2      ARG  12   1.826 -10.543  -8.206
   99    HD3  ARG  12           HD1      ARG  12   2.554  -9.573  -6.937
  100    HE   ARG  12           HE       ARG  12   0.982 -11.247  -5.529
  101   HH11  ARG  12          HH11      ARG  12   3.313 -11.955  -8.141
  102   HH12  ARG  12          HH12      ARG  12   3.698 -13.487  -7.485
  103   HH21  ARG  12          HH21      ARG  12   1.571 -13.347  -4.702
  104   HH22  ARG  12          HH22      ARG  12   2.748 -14.251  -5.566
  105    H    ALA  13           HN       ALA  13  -0.035  -5.881  -4.675
  106    HA   ALA  13           HA       ALA  13   1.006  -4.500  -6.961
  107    HB1  ALA  13           HB1      ALA  13  -0.196  -2.557  -6.067
  108    HB2  ALA  13           HB2      ALA  13  -0.509  -3.441  -4.571
  109    HB3  ALA  13           HB3      ALA  13  -1.221  -3.991  -6.088
  110    H    LEU  14           HN       LEU  14   1.695  -4.687  -3.570
  111    HA   LEU  14           HA       LEU  14   3.480  -2.516  -3.371
  112    HB2  LEU  14           HB2      LEU  14   2.264  -3.619  -1.504
  113    HB3  LEU  14           HB1      LEU  14   3.290  -5.021  -1.701
  114    HG   LEU  14           HG       LEU  14   5.241  -3.636  -1.076
  115   HD11  LEU  14          HD11      LEU  14   3.152  -1.537  -0.519
  116   HD12  LEU  14          HD12      LEU  14   4.377  -1.468  -1.786
  117   HD13  LEU  14          HD13      LEU  14   4.859  -1.437  -0.088
  118   HD21  LEU  14          HD21      LEU  14   4.666  -3.471   1.296
  119   HD22  LEU  14          HD22      LEU  14   4.071  -4.973   0.587
  120   HD23  LEU  14          HD23      LEU  14   2.957  -3.640   0.892
  121    H    VAL  15           HN       VAL  15   3.956  -6.005  -3.728
  122    HA   VAL  15           HA       VAL  15   6.709  -6.240  -3.694
  123    HB   VAL  15           HB       VAL  15   4.765  -7.807  -5.434
  124   HG11  VAL  15          HG11      VAL  15   7.579  -8.506  -4.598
  125   HG12  VAL  15          HG12      VAL  15   7.057  -8.079  -6.227
  126   HG13  VAL  15          HG13      VAL  15   6.473  -9.564  -5.474
  127   HG21  VAL  15          HG21      VAL  15   4.870  -9.488  -3.664
  128   HG22  VAL  15          HG22      VAL  15   4.249  -7.953  -3.058
  129   HG23  VAL  15          HG23      VAL  15   5.916  -8.427  -2.721
  130    H    GLU  16           HN       GLU  16   4.681  -5.706  -6.563
  131    HA   GLU  16           HA       GLU  16   6.836  -5.665  -8.345
  132    HB2  GLU  16           HB2      GLU  16   4.076  -4.501  -8.699
  133    HB3  GLU  16           HB1      GLU  16   5.263  -4.672  -9.981
  134    HG2  GLU  16           HG2      GLU  16   5.264  -7.135  -9.537
  135    HG3  GLU  16           HG1      GLU  16   3.912  -6.868  -8.438
  136    H    SER  17           HN       SER  17   5.105  -2.908  -6.834
  137    HA   SER  17           HA       SER  17   6.723  -1.015  -8.203
  138    HB2  SER  17           HB2      SER  17   4.954  -0.638  -5.792
  139    HB3  SER  17           HB1      SER  17   5.565   0.628  -6.859
  140    HG   SER  17           HG       SER  17   4.269  -0.039  -8.453
  141    H    ALA  18           HN       ALA  18   7.176  -2.843  -5.328
  142    HA   ALA  18           HA       ALA  18   8.768  -1.149  -3.765
  143    HB1  ALA  18           HB1      ALA  18   7.759  -3.218  -2.963
  144    HB2  ALA  18           HB2      ALA  18   9.489  -3.144  -2.626
  145    HB3  ALA  18           HB3      ALA  18   8.890  -4.145  -3.950
  146    H    GLY  19           HN       GLY  19   9.543  -2.674  -6.719
  147    HA2  GLY  19           HA2      GLY  19  12.127  -1.612  -6.770
  148    HA3  GLY  19           HA1      GLY  19  12.187  -3.348  -6.456
  149    H    GLU  20           HN       GLU  20  12.832  -4.148  -8.319
  150    HA   GLU  20           HA       GLU  20  11.629  -3.179 -10.767
  151    HB2  GLU  20           HB2      GLU  20  14.000  -3.440 -10.737
  152    HB3  GLU  20           HB1      GLU  20  13.872  -5.133 -10.293
  153    HG2  GLU  20           HG2      GLU  20  12.844  -5.648 -12.435
  154    HG3  GLU  20           HG1      GLU  20  12.892  -3.945 -12.883
  155    H    THR  21           HN       THR  21   9.600  -3.873 -10.474
  156    HA   THR  21           HA       THR  21   7.795  -5.085 -10.595
  157    HB   THR  21           HB       THR  21   7.675  -6.794 -12.449
  158    HG1  THR  21           HG1      THR  21   9.883  -7.510 -12.387
  159   HG21  THR  21          HG21      THR  21   8.071  -5.086 -14.165
  160   HG22  THR  21          HG22      THR  21   8.979  -4.155 -12.952
  161   HG23  THR  21          HG23      THR  21   7.261  -4.442 -12.724
  162    H    ASP  22           HN       ASP  22   9.825  -6.071  -8.761
  163    HA   ASP  22           HA       ASP  22   8.424  -7.732  -7.161
  164    HB2  ASP  22           HB2      ASP  22   8.582  -9.543  -8.831
  165    HB3  ASP  22           HB1      ASP  22  10.332  -9.341  -8.945
  166    H    GLY  23           HN       GLY  23   9.368  -6.045  -6.125
  167    HA2  GLY  23           HA2      GLY  23  12.275  -6.085  -5.776
  168    HA3  GLY  23           HA1      GLY  23  11.179  -4.871  -5.136
  169    H    THR  24           HN       THR  24   9.540  -5.975  -3.526
  170    HA   THR  24           HA       THR  24  11.075  -7.636  -1.664
  171    HB   THR  24           HB       THR  24   9.261  -5.289  -0.970
  172    HG1  THR  24           HG1      THR  24  12.028  -5.157  -0.543
  173   HG21  THR  24          HG21      THR  24  10.298  -5.492   1.252
  174   HG22  THR  24          HG22      THR  24  11.270  -6.846   0.678
  175   HG23  THR  24          HG23      THR  24   9.516  -7.004   0.789
  176    H    ASP  25           HN       ASP  25   9.897  -9.468  -1.347
  177    HA   ASP  25           HA       ASP  25   7.230  -9.597  -2.437
  178    HB2  ASP  25           HB2      ASP  25   7.293 -11.936  -2.240
  179    HB3  ASP  25           HB1      ASP  25   8.912 -11.455  -2.717
  180    H    LEU  26           HN       LEU  26   8.523  -9.374   0.770
  181    HA   LEU  26           HA       LEU  26   7.584  -9.287   2.792
  182    HB2  LEU  26           HB2      LEU  26   5.132  -8.437   1.240
  183    HB3  LEU  26           HB1      LEU  26   5.162  -8.505   2.982
  184    HG   LEU  26           HG       LEU  26   5.398  -6.275   2.422
  185   HD11  LEU  26          HD11      LEU  26   6.868  -6.881   4.172
  186   HD12  LEU  26          HD12      LEU  26   7.606  -5.611   3.191
  187   HD13  LEU  26          HD13      LEU  26   8.145  -7.285   3.022
  188   HD21  LEU  26          HD21      LEU  26   7.051  -5.366   0.854
  189   HD22  LEU  26          HD22      LEU  26   5.911  -6.461   0.071
  190   HD23  LEU  26          HD23      LEU  26   7.547  -7.010   0.448
  191    H    SER  27           HN       SER  27   7.919 -11.465   3.063
  192    HA   SER  27           HA       SER  27   5.846 -13.370   2.538
  193    HB2  SER  27           HB2      SER  27   8.159 -13.796   4.384
  194    HB3  SER  27           HB1      SER  27   7.391 -14.938   3.274
  195    HG   SER  27           HG       SER  27   8.209 -13.258   1.616
  196    H    GLY  28           HN       GLY  28   4.237 -13.942   3.891
  197    HA2  GLY  28           HA2      GLY  28   3.282 -14.522   5.936
  198    HA3  GLY  28           HA1      GLY  28   4.544 -13.620   6.756
  199    H    ASP  29           HN       ASP  29   3.040 -12.654   8.078
  200    HA   ASP  29           HA       ASP  29   1.091 -10.839   6.867
  201    HB2  ASP  29           HB2      ASP  29   0.492 -12.337   8.837
  202    HB3  ASP  29           HB1      ASP  29   1.610 -11.388   9.807
  203    H    PHE  30           HN       PHE  30   2.122  -9.098   6.176
  204    HA   PHE  30           HA       PHE  30   4.516  -8.192   7.578
  205    HB2  PHE  30           HB2      PHE  30   5.059  -7.081   5.443
  206    HB3  PHE  30           HB1      PHE  30   4.840  -8.822   5.295
  207    HD1  PHE  30           HD2      PHE  30   2.889  -9.734   4.119
  208    HD2  PHE  30           HD1      PHE  30   3.521  -5.535   4.400
  209    HE1  PHE  30           HE2      PHE  30   1.233  -9.360   2.349
  210    HE2  PHE  30           HE1      PHE  30   1.870  -5.161   2.627
  211    HZ   PHE  30           HZ       PHE  30   0.719  -7.072   1.604
  212    H    LEU  31           HN       LEU  31   1.628  -7.337   8.184
  213    HA   LEU  31           HA       LEU  31   1.387  -4.686   7.176
  214    HB2  LEU  31           HB2      LEU  31  -0.169  -6.087   9.338
  215    HB3  LEU  31           HB1      LEU  31  -0.508  -4.452   8.821
  216    HG   LEU  31           HG       LEU  31  -2.090  -5.881   7.808
  217   HD11  LEU  31          HD11      LEU  31  -0.056  -5.095   5.754
  218   HD12  LEU  31          HD12      LEU  31  -1.354  -4.095   6.407
  219   HD13  LEU  31          HD13      LEU  31  -1.738  -5.510   5.429
  220   HD21  LEU  31          HD21      LEU  31  -1.505  -7.749   6.326
  221   HD22  LEU  31          HD22      LEU  31  -0.950  -8.012   7.978
  222   HD23  LEU  31          HD23      LEU  31   0.197  -7.524   6.732
  223    H    ASP  32           HN       ASP  32   2.895  -5.969   9.983
  224    HA   ASP  32           HA       ASP  32   3.087  -3.351  11.226
  225    HB2  ASP  32           HB2      ASP  32   4.279  -4.432  13.067
  226    HB3  ASP  32           HB1      ASP  32   2.805  -5.312  12.696
  227    H    LEU  33           HN       LEU  33   4.805  -4.946   8.845
  228    HA   LEU  33           HA       LEU  33   7.420  -4.009   9.554
  229    HB2  LEU  33           HB2      LEU  33   6.295  -5.261   7.063
  230    HB3  LEU  33           HB1      LEU  33   7.887  -4.537   7.040
  231    HG   LEU  33           HG       LEU  33   8.062  -6.929   7.286
  232   HD11  LEU  33          HD11      LEU  33   8.787  -5.513   9.831
  233   HD12  LEU  33          HD12      LEU  33   9.757  -5.608   8.362
  234   HD13  LEU  33          HD13      LEU  33   9.431  -7.066   9.300
  235   HD21  LEU  33          HD21      LEU  33   5.907  -7.397   8.342
  236   HD22  LEU  33          HD22      LEU  33   6.468  -6.642   9.835
  237   HD23  LEU  33          HD23      LEU  33   7.231  -8.123   9.254
  238    H    ARG  34           HN       ARG  34   7.983  -2.035   9.526
  239    HA   ARG  34           HA       ARG  34   6.315  -0.006   8.357
  240    HB2  ARG  34           HB2      ARG  34   9.008   0.251   9.687
  241    HB3  ARG  34           HB1      ARG  34   7.885   1.557   9.348
  242    HG2  ARG  34           HG2      ARG  34   6.281   0.572  10.917
  243    HG3  ARG  34           HG1      ARG  34   7.434  -0.726  11.262
  244    HD2  ARG  34           HD2      ARG  34   7.548   1.023  12.964
  245    HD3  ARG  34           HD1      ARG  34   9.053   0.932  12.047
  246    HE   ARG  34           HE       ARG  34   7.040   2.830  11.162
  247   HH11  ARG  34          HH11      ARG  34  10.133   2.367  12.914
  248   HH12  ARG  34          HH12      ARG  34  10.564   3.991  12.793
  249   HH21  ARG  34          HH21      ARG  34   7.689   5.011  10.995
  250   HH22  ARG  34          HH22      ARG  34   9.147   5.559  11.737
  251    H    PHE  35           HN       PHE  35   6.620   1.011   6.464
  252    HA   PHE  35           HA       PHE  35   8.488   0.080   4.549
  253    HB2  PHE  35           HB2      PHE  35   6.880   2.643   4.571
  254    HB3  PHE  35           HB1      PHE  35   7.785   2.042   3.189
  255    HD1  PHE  35           HD2      PHE  35   7.187  -0.601   2.766
  256    HD2  PHE  35           HD1      PHE  35   4.635   2.352   4.429
  257    HE1  PHE  35           HE2      PHE  35   5.231  -1.887   2.033
  258    HE2  PHE  35           HE1      PHE  35   2.674   1.072   3.703
  259    HZ   PHE  35           HZ       PHE  35   2.968  -1.049   2.497
  260    H    GLU  36           HN       GLU  36   8.470   2.663   6.788
  261    HA   GLU  36           HA       GLU  36  10.665   4.227   6.040
  262    HB2  GLU  36           HB2      GLU  36   8.951   4.701   7.822
  263    HB3  GLU  36           HB1      GLU  36   9.703   3.481   8.821
  264    HG2  GLU  36           HG2      GLU  36  11.046   6.027   7.918
  265    HG3  GLU  36           HG1      GLU  36  10.213   5.826   9.452
  266    H    ASP  37           HN       ASP  37  10.403   1.251   7.844
  267    HA   ASP  37           HA       ASP  37  13.214   1.203   8.498
  268    HB2  ASP  37           HB2      ASP  37  11.656   0.606  10.229
  269    HB3  ASP  37           HB1      ASP  37  10.943  -0.638   9.212
  270    H    ILE  38           HN       ILE  38  10.963  -0.583   6.435
  271    HA   ILE  38           HA       ILE  38  13.062  -2.422   5.711
  272    HB   ILE  38           HB       ILE  38  11.412  -3.567   4.255
  273   HG12  ILE  38          HG12      ILE  38   9.476  -1.502   5.352
  274   HG13  ILE  38          HG11      ILE  38   9.995  -1.628   3.678
  275   HG21  ILE  38          HG21      ILE  38  10.561  -3.076   7.098
  276   HG22  ILE  38          HG22      ILE  38  11.741  -4.261   6.541
  277   HG23  ILE  38          HG23      ILE  38  10.038  -4.434   6.099
  278   HD11  ILE  38          HD11      ILE  38   8.896  -3.822   3.520
  279   HD12  ILE  38          HD12      ILE  38   7.766  -2.549   3.981
  280   HD13  ILE  38          HD13      ILE  38   8.376  -3.671   5.197
  281    H    GLY  39           HN       GLY  39  13.524   0.239   5.015
  282    HA2  GLY  39           HA2      GLY  39  14.584   1.416   3.379
  283    HA3  GLY  39           HA1      GLY  39  14.894  -0.139   2.642
  284    H    TYR  40           HN       TYR  40  11.758   1.462   3.065
  285    HA   TYR  40           HA       TYR  40  11.385   1.260   0.183
  286    HB2  TYR  40           HB2      TYR  40   9.590   1.519   2.502
  287    HB3  TYR  40           HB1      TYR  40   9.094   2.371   1.051
  288    HD1  TYR  40           HD1      TYR  40  10.444  -0.997   1.953
  289    HD2  TYR  40           HD2      TYR  40   7.648   1.277  -0.295
  290    HE1  TYR  40           HE1      TYR  40   9.450  -3.075   1.100
  291    HE2  TYR  40           HE2      TYR  40   6.638  -0.765  -1.161
  292    HH   TYR  40           HH       TYR  40   7.298  -3.832   0.184
  293    H    ASP  41           HN       ASP  41  11.401   2.874  -1.123
  294    HA   ASP  41           HA       ASP  41  11.697   5.593  -0.075
  295    HB2  ASP  41           HB2      ASP  41  11.945   4.434  -2.854
  296    HB3  ASP  41           HB1      ASP  41  11.788   6.162  -2.591
  297    H    SER  42           HN       SER  42  10.215   7.214  -0.603
  298    HA   SER  42           HA       SER  42   7.573   6.364  -0.719
  299    HB2  SER  42           HB2      SER  42   7.253   8.937  -1.389
  300    HB3  SER  42           HB1      SER  42   7.669   8.438   0.252
  301    H    LEU  43           HN       LEU  43   9.814   7.117  -3.232
  302    HA   LEU  43           HA       LEU  43   8.111   7.438  -5.405
  303    HB2  LEU  43           HB2      LEU  43  10.503   7.870  -5.508
  304    HB3  LEU  43           HB1      LEU  43  10.836   6.166  -5.273
  305    HG   LEU  43           HG       LEU  43   9.858   5.664  -7.469
  306   HD11  LEU  43          HD11      LEU  43   8.230   7.456  -7.613
  307   HD12  LEU  43          HD12      LEU  43   9.291   7.463  -9.019
  308   HD13  LEU  43          HD13      LEU  43   9.524   8.648  -7.733
  309   HD21  LEU  43          HD21      LEU  43  12.248   6.105  -7.298
  310   HD22  LEU  43          HD22      LEU  43  11.959   7.827  -7.541
  311   HD23  LEU  43          HD23      LEU  43  11.612   6.685  -8.837
  312    H    ALA  44           HN       ALA  44   9.071   4.539  -3.732
  313    HA   ALA  44           HA       ALA  44   7.889   2.799  -5.724
  314    HB1  ALA  44           HB1      ALA  44   9.867   2.058  -4.480
  315    HB2  ALA  44           HB2      ALA  44   8.493   0.997  -4.174
  316    HB3  ALA  44           HB3      ALA  44   8.968   2.193  -2.968
  317    H    LEU  45           HN       LEU  45   7.290   3.920  -2.470
  318    HA   LEU  45           HA       LEU  45   5.010   2.425  -1.895
  319    HB2  LEU  45           HB2      LEU  45   6.361   3.528  -0.218
  320    HB3  LEU  45           HB1      LEU  45   5.895   5.098  -0.831
  321    HG   LEU  45           HG       LEU  45   3.593   4.711  -0.105
  322   HD11  LEU  45          HD11      LEU  45   4.665   2.114   0.991
  323   HD12  LEU  45          HD12      LEU  45   3.536   2.284  -0.351
  324   HD13  LEU  45          HD13      LEU  45   3.052   2.769   1.274
  325   HD21  LEU  45          HD21      LEU  45   4.012   4.797   2.301
  326   HD22  LEU  45          HD22      LEU  45   5.166   5.789   1.411
  327   HD23  LEU  45          HD23      LEU  45   5.655   4.213   2.038
  328    H    MET  46           HN       MET  46   5.317   5.703  -3.237
  329    HA   MET  46           HA       MET  46   2.571   6.407  -3.363
  330    HB2  MET  46           HB2      MET  46   4.877   7.295  -5.109
  331    HB3  MET  46           HB1      MET  46   3.299   8.052  -5.081
  332    HG2  MET  46           HG2      MET  46   5.083   7.853  -2.690
  333    HG3  MET  46           HG1      MET  46   5.143   9.193  -3.817
  334    HE1  MET  46           HE1      MET  46   3.455  10.778  -0.671
  335    HE2  MET  46           HE2      MET  46   4.736  10.934  -1.868
  336    HE3  MET  46           HE3      MET  46   4.762   9.596  -0.720
  337    H    GLU  47           HN       GLU  47   4.665   4.589  -5.422
  338    HA   GLU  47           HA       GLU  47   3.051   4.628  -7.766
  339    HB2  GLU  47           HB2      GLU  47   5.603   4.234  -7.281
  340    HB3  GLU  47           HB1      GLU  47   5.129   2.553  -7.124
  341    HG2  GLU  47           HG2      GLU  47   4.742   4.269  -9.582
  342    HG3  GLU  47           HG1      GLU  47   6.039   3.114  -9.337
  343    H    THR  48           HN       THR  48   3.709   2.286  -5.146
  344    HA   THR  48           HA       THR  48   1.938   0.247  -5.793
  345    HB   THR  48           HB       THR  48   2.698   1.349  -3.072
  346    HG1  THR  48           HG1      THR  48   3.889  -0.466  -4.861
  347   HG21  THR  48          HG21      THR  48   2.236  -0.903  -2.240
  348   HG22  THR  48          HG22      THR  48   1.654  -1.386  -3.834
  349   HG23  THR  48          HG23      THR  48   0.776  -0.164  -2.905
  350    H    ALA  49           HN       ALA  49   1.441   3.096  -3.713
  351    HA   ALA  49           HA       ALA  49  -1.217   2.686  -3.036
  352    HB1  ALA  49           HB1      ALA  49   0.217   5.324  -3.338
  353    HB2  ALA  49           HB2      ALA  49   0.249   4.295  -1.908
  354    HB3  ALA  49           HB3      ALA  49  -1.264   5.045  -2.422
  355    H    ALA  50           HN       ALA  50   0.107   4.699  -5.687
  356    HA   ALA  50           HA       ALA  50  -2.374   5.569  -6.620
  357    HB1  ALA  50           HB1      ALA  50  -1.219   6.305  -8.615
  358    HB2  ALA  50           HB2      ALA  50   0.166   5.291  -8.204
  359    HB3  ALA  50           HB3      ALA  50  -0.254   6.663  -7.182
  360    H    ARG  51           HN       ARG  51  -0.524   2.685  -7.418
  361    HA   ARG  51           HA       ARG  51  -2.070   1.747  -9.555
  362    HB2  ARG  51           HB2      ARG  51  -0.579   0.297  -7.387
  363    HB3  ARG  51           HB1      ARG  51  -1.577  -0.593  -8.514
  364    HG2  ARG  51           HG2      ARG  51  -0.207   0.345 -10.365
  365    HG3  ARG  51           HG1      ARG  51   0.848   1.062  -9.138
  366    HD2  ARG  51           HD2      ARG  51   1.508  -1.029  -8.306
  367    HD3  ARG  51           HD1      ARG  51   0.177  -1.866  -9.104
  368    HE   ARG  51           HE       ARG  51   2.084  -0.560 -10.825
  369   HH11  ARG  51          HH11      ARG  51   1.164  -3.596  -9.237
  370   HH12  ARG  51          HH12      ARG  51   1.967  -4.613 -10.321
  371   HH21  ARG  51          HH21      ARG  51   3.164  -1.956 -12.396
  372   HH22  ARG  51          HH22      ARG  51   3.153  -3.640 -12.205
  373    H    LEU  52           HN       LEU  52  -2.444   1.193  -6.103
  374    HA   LEU  52           HA       LEU  52  -4.786  -0.348  -6.307
  375    HB2  LEU  52           HB2      LEU  52  -3.678   1.206  -3.987
  376    HB3  LEU  52           HB1      LEU  52  -5.004   0.061  -3.876
  377    HG   LEU  52           HG       LEU  52  -2.199  -0.628  -4.744
  378   HD11  LEU  52          HD11      LEU  52  -2.022  -1.744  -2.579
  379   HD12  LEU  52          HD12      LEU  52  -3.612  -1.122  -2.132
  380   HD13  LEU  52          HD13      LEU  52  -2.272  -0.006  -2.401
  381   HD21  LEU  52          HD21      LEU  52  -3.898  -2.086  -5.737
  382   HD22  LEU  52          HD22      LEU  52  -4.591  -2.383  -4.148
  383   HD23  LEU  52          HD23      LEU  52  -2.961  -2.952  -4.519
  384    H    GLU  53           HN       GLU  53  -4.291   3.111  -5.800
  385    HA   GLU  53           HA       GLU  53  -6.957   3.773  -5.271
  386    HB2  GLU  53           HB2      GLU  53  -5.150   5.581  -6.853
  387    HB3  GLU  53           HB1      GLU  53  -6.541   5.898  -5.834
  388    HG2  GLU  53           HG2      GLU  53  -5.404   5.547  -3.868
  389    HG3  GLU  53           HG1      GLU  53  -3.989   4.890  -4.702
  390    H    SER  54           HN       SER  54  -5.192   3.827  -8.336
  391    HA   SER  54           HA       SER  54  -7.377   4.674  -9.929
  392    HB2  SER  54           HB2      SER  54  -4.910   3.179 -10.824
  393    HB3  SER  54           HB1      SER  54  -5.901   4.285 -11.780
  394    HG   SER  54           HG       SER  54  -4.001   4.784  -9.827
  395    H    ARG  55           HN       ARG  55  -6.347   1.604  -8.805
  396    HA   ARG  55           HA       ARG  55  -7.744   0.093 -10.808
  397    HB2  ARG  55           HB2      ARG  55  -5.642  -0.692  -9.994
  398    HB3  ARG  55           HB1      ARG  55  -6.222  -0.685  -8.344
  399    HG2  ARG  55           HG2      ARG  55  -7.713  -2.517  -8.850
  400    HG3  ARG  55           HG1      ARG  55  -7.180  -2.498 -10.539
  401    HD2  ARG  55           HD2      ARG  55  -4.962  -3.068  -9.932
  402    HD3  ARG  55           HD1      ARG  55  -5.296  -2.816  -8.222
  403    HE   ARG  55           HE       ARG  55  -6.846  -4.855  -9.552
  404   HH11  ARG  55          HH11      ARG  55  -3.818  -4.196  -7.816
  405   HH12  ARG  55          HH12      ARG  55  -3.812  -5.690  -7.009
  406   HH21  ARG  55          HH21      ARG  55  -6.787  -6.928  -8.401
  407   HH22  ARG  55          HH22      ARG  55  -5.528  -7.176  -7.250
  408    H    TYR  56           HN       TYR  56  -8.320   1.019  -7.447
  409    HA   TYR  56           HA       TYR  56 -10.843  -0.445  -7.653
  410    HB2  TYR  56           HB2      TYR  56  -9.171   0.166  -5.243
  411    HB3  TYR  56           HB1      TYR  56 -10.866  -0.293  -5.094
  412    HD1  TYR  56           HD2      TYR  56  -7.559  -1.400  -6.255
  413    HD2  TYR  56           HD1      TYR  56 -11.556  -2.570  -5.415
  414    HE1  TYR  56           HE2      TYR  56  -6.892  -3.753  -6.412
  415    HE2  TYR  56           HE1      TYR  56 -10.909  -4.931  -5.567
  416    HH   TYR  56           HH       TYR  56  -9.158  -6.266  -6.629
  417    H    GLY  57           HN       GLY  57  -9.703   2.668  -7.710
  418    HA2  GLY  57           HA2      GLY  57 -11.021   4.506  -8.145
  419    HA3  GLY  57           HA1      GLY  57 -12.430   3.599  -7.622
  420    H    VAL  58           HN       VAL  58  -9.381   4.539  -6.053
  421    HA   VAL  58           HA       VAL  58 -10.985   5.991  -4.090
  422    HB   VAL  58           HB       VAL  58  -9.624   5.278  -2.185
  423   HG11  VAL  58          HG11      VAL  58 -10.600   2.941  -3.750
  424   HG12  VAL  58          HG12      VAL  58 -11.573   3.947  -2.663
  425   HG13  VAL  58          HG13      VAL  58 -10.262   2.933  -2.020
  426   HG21  VAL  58          HG21      VAL  58  -7.511   4.873  -3.399
  427   HG22  VAL  58          HG22      VAL  58  -8.218   3.365  -4.028
  428   HG23  VAL  58          HG23      VAL  58  -7.948   3.563  -2.302
  429    H    SER  59           HN       SER  59  -9.406   7.369  -2.635
  430    HA   SER  59           HA       SER  59  -7.211   8.326  -4.285
  431    HB2  SER  59           HB2      SER  59  -9.315  10.075  -3.011
  432    HB3  SER  59           HB1      SER  59  -7.862  10.649  -3.837
  433    HG   SER  59           HG       SER  59  -8.778   9.130  -5.563
  434    H    ILE  60           HN       ILE  60  -5.480   8.144  -3.194
  435    HA   ILE  60           HA       ILE  60  -5.434   8.730  -0.309
  436    HB   ILE  60           HB       ILE  60  -3.431   7.080  -1.922
  437   HG12  ILE  60          HG12      ILE  60  -5.539   5.843  -1.777
  438   HG13  ILE  60          HG11      ILE  60  -4.313   5.076  -0.780
  439   HG21  ILE  60          HG21      ILE  60  -2.499   6.404   0.269
  440   HG22  ILE  60          HG22      ILE  60  -3.650   7.464   1.069
  441   HG23  ILE  60          HG23      ILE  60  -2.412   8.145   0.018
  442   HD11  ILE  60          HD11      ILE  60  -6.551   6.839   0.198
  443   HD12  ILE  60          HD12      ILE  60  -5.325   6.075   1.212
  444   HD13  ILE  60          HD13      ILE  60  -6.475   5.080   0.314
  445    HA   PRO  61           HA       PRO  61  -3.545  12.393  -2.353
  446    HB2  PRO  61           HB2      PRO  61  -3.488  13.199   0.517
  447    HB3  PRO  61           HB1      PRO  61  -4.083  14.098  -0.885
  448    HG2  PRO  61           HG2      PRO  61  -5.795  13.022   0.821
  449    HG3  PRO  61           HG1      PRO  61  -6.107  12.954  -0.923
  450    HD2  PRO  61           HD2      PRO  61  -5.087  10.815   0.906
  451    HD3  PRO  61           HD1      PRO  61  -6.258  10.697  -0.424
  452    H    ASP  62           HN       ASP  62  -1.413  13.164  -2.389
  453    HA   ASP  62           HA       ASP  62   0.592  11.297  -1.865
  454    HB2  ASP  62           HB2      ASP  62   2.192  12.869  -2.634
  455    HB3  ASP  62           HB1      ASP  62   0.717  13.271  -3.498
  456    H    ASP  63           HN       ASP  63  -0.409  14.037   0.096
  457    HA   ASP  63           HA       ASP  63   1.756  13.885   1.924
  458    HB2  ASP  63           HB2      ASP  63   0.374  15.914   1.627
  459    HB3  ASP  63           HB1      ASP  63  -1.006  15.066   2.308
  460    H    VAL  64           HN       VAL  64  -1.318  12.356   1.682
  461    HA   VAL  64           HA       VAL  64  -1.160  11.168   4.321
  462    HB   VAL  64           HB       VAL  64  -3.233  10.709   2.144
  463   HG11  VAL  64          HG11      VAL  64  -3.215   8.938   3.812
  464   HG12  VAL  64          HG12      VAL  64  -4.671   9.927   3.964
  465   HG13  VAL  64          HG13      VAL  64  -3.339  10.137   5.100
  466   HG21  VAL  64          HG21      VAL  64  -3.300  12.620   4.471
  467   HG22  VAL  64          HG22      VAL  64  -4.642  12.295   3.374
  468   HG23  VAL  64          HG23      VAL  64  -3.171  13.054   2.768
  469    H    ALA  65           HN       ALA  65  -0.444  10.396   1.044
  470    HA   ALA  65           HA       ALA  65  -0.160   7.585   1.420
  471    HB1  ALA  65           HB1      ALA  65  -0.544   8.546  -0.810
  472    HB2  ALA  65           HB2      ALA  65   0.956   7.617  -0.769
  473    HB3  ALA  65           HB3      ALA  65   1.008   9.378  -0.719
  474    H    GLY  66           HN       GLY  66   1.943  10.388   1.614
  475    HA2  GLY  66           HA2      GLY  66   4.280   8.876   2.233
  476    HA3  GLY  66           HA1      GLY  66   4.059  10.600   2.501
  477    H    ARG  67           HN       ARG  67   1.481   9.371   3.881
  478    HA   ARG  67           HA       ARG  67   2.550   9.480   6.598
  479    HB2  ARG  67           HB2      ARG  67   0.536  10.792   6.074
  480    HB3  ARG  67           HB1      ARG  67  -0.296   9.339   5.556
  481    HG2  ARG  67           HG2      ARG  67   0.113   8.525   7.977
  482    HG3  ARG  67           HG1      ARG  67   0.413  10.228   8.321
  483    HD2  ARG  67           HD2      ARG  67  -1.787  10.823   7.537
  484    HD3  ARG  67           HD1      ARG  67  -2.087   9.170   7.002
  485    HE   ARG  67           HE       ARG  67  -2.286  10.222   9.671
  486   HH11  ARG  67          HH11      ARG  67  -1.898   7.218   7.789
  487   HH12  ARG  67          HH12      ARG  67  -2.416   6.195   9.050
  488   HH21  ARG  67          HH21      ARG  67  -3.063   8.797  11.362
  489   HH22  ARG  67          HH22      ARG  67  -3.141   7.115  11.106
  490    H    VAL  68           HN       VAL  68   1.802   7.084   4.259
  491    HA   VAL  68           HA       VAL  68   0.873   5.233   6.234
  492    HB   VAL  68           HB       VAL  68   0.558   3.557   4.458
  493   HG11  VAL  68          HG11      VAL  68  -1.212   5.093   4.924
  494   HG12  VAL  68          HG12      VAL  68  -1.180   4.721   3.202
  495   HG13  VAL  68          HG13      VAL  68  -0.548   6.259   3.780
  496   HG21  VAL  68          HG21      VAL  68   0.829   4.138   2.090
  497   HG22  VAL  68          HG22      VAL  68   2.395   4.132   2.913
  498   HG23  VAL  68          HG23      VAL  68   1.582   5.657   2.544
  499    H    ASP  69           HN       ASP  69   2.469   5.315   7.536
  500    HA   ASP  69           HA       ASP  69   5.167   4.710   7.225
  501    HB2  ASP  69           HB2      ASP  69   4.080   5.732   9.213
  502    HB3  ASP  69           HB1      ASP  69   3.415   4.158   9.620
  503    H    THR  70           HN       THR  70   2.454   2.571   7.973
  504    HA   THR  70           HA       THR  70   4.159   0.243   7.446
  505    HB   THR  70           HB       THR  70   2.523  -1.001   8.874
  506    HG1  THR  70           HG1      THR  70   1.481   1.039  10.255
  507   HG21  THR  70          HG21      THR  70   3.858   1.338  10.257
  508   HG22  THR  70          HG22      THR  70   4.622  -0.206   9.878
  509   HG23  THR  70          HG23      THR  70   3.305  -0.136  11.052
  510    HA   PRO  71           HA       PRO  71   1.253  -0.831   4.178
  511    HB2  PRO  71           HB2      PRO  71   0.996  -3.543   5.372
  512    HB3  PRO  71           HB1      PRO  71   1.515  -3.085   3.745
  513    HG2  PRO  71           HG2      PRO  71   3.269  -3.966   5.532
  514    HG3  PRO  71           HG1      PRO  71   3.683  -2.642   4.423
  515    HD2  PRO  71           HD2      PRO  71   2.902  -2.526   7.306
  516    HD3  PRO  71           HD1      PRO  71   4.163  -1.620   6.441
  517    H    ARG  72           HN       ARG  72   0.590  -1.593   7.495
  518    HA   ARG  72           HA       ARG  72  -2.151  -2.128   7.313
  519    HB2  ARG  72           HB2      ARG  72  -0.951  -2.694   9.333
  520    HB3  ARG  72           HB1      ARG  72  -0.510  -1.014   9.598
  521    HG2  ARG  72           HG2      ARG  72  -2.293  -1.749  11.109
  522    HG3  ARG  72           HG1      ARG  72  -2.829  -0.449  10.050
  523    HD2  ARG  72           HD2      ARG  72  -4.570  -2.118  10.223
  524    HD3  ARG  72           HD1      ARG  72  -3.914  -2.125   8.591
  525    HE   ARG  72           HE       ARG  72  -2.737  -4.020  10.410
  526   HH11  ARG  72          HH11      ARG  72  -5.311  -3.501   7.970
  527   HH12  ARG  72          HH12      ARG  72  -5.537  -5.140   7.642
  528   HH21  ARG  72          HH21      ARG  72  -3.094  -6.344   9.927
  529   HH22  ARG  72          HH22      ARG  72  -4.261  -6.762   8.753
  530    H    GLU  73           HN       GLU  73  -0.347   0.906   7.669
  531    HA   GLU  73           HA       GLU  73  -2.559   2.601   8.037
  532    HB2  GLU  73           HB2      GLU  73   0.067   3.193   6.671
  533    HB3  GLU  73           HB1      GLU  73  -1.114   4.407   7.125
  534    HG2  GLU  73           HG2      GLU  73   0.440   2.625   8.976
  535    HG3  GLU  73           HG1      GLU  73   0.690   4.348   8.709
  536    H    LEU  74           HN       LEU  74  -0.901   1.622   5.081
  537    HA   LEU  74           HA       LEU  74  -2.429   3.163   3.265
  538    HB2  LEU  74           HB2      LEU  74  -0.168   1.760   2.974
  539    HB3  LEU  74           HB1      LEU  74  -1.293   0.501   2.507
  540    HG   LEU  74           HG       LEU  74  -1.081   3.149   1.072
  541   HD11  LEU  74          HD11      LEU  74   1.003   1.925   0.876
  542   HD12  LEU  74          HD12      LEU  74   0.129   1.910  -0.654
  543   HD13  LEU  74          HD13      LEU  74   0.127   0.480   0.375
  544   HD21  LEU  74          HD21      LEU  74  -2.397   0.545   0.285
  545   HD22  LEU  74          HD22      LEU  74  -2.305   2.001  -0.706
  546   HD23  LEU  74          HD23      LEU  74  -3.239   2.009   0.791
  547    H    LEU  75           HN       LEU  75  -2.686  -0.170   4.391
  548    HA   LEU  75           HA       LEU  75  -4.935  -0.814   2.841
  549    HB2  LEU  75           HB2      LEU  75  -3.401  -2.496   3.749
  550    HB3  LEU  75           HB1      LEU  75  -3.917  -2.095   5.374
  551    HG   LEU  75           HG       LEU  75  -6.157  -2.960   4.895
  552   HD11  LEU  75          HD11      LEU  75  -6.222  -2.417   2.499
  553   HD12  LEU  75          HD12      LEU  75  -6.673  -4.074   2.825
  554   HD13  LEU  75          HD13      LEU  75  -5.065  -3.716   2.178
  555   HD21  LEU  75          HD21      LEU  75  -5.566  -5.323   4.674
  556   HD22  LEU  75          HD22      LEU  75  -4.473  -4.479   5.773
  557   HD23  LEU  75          HD23      LEU  75  -3.949  -4.868   4.133
  558    H    ASP  76           HN       ASP  76  -4.572   0.549   6.071
  559    HA   ASP  76           HA       ASP  76  -7.265   0.218   6.897
  560    HB2  ASP  76           HB2      ASP  76  -5.540   0.595   8.551
  561    HB3  ASP  76           HB1      ASP  76  -5.124   2.138   7.823
  562    H    LEU  77           HN       LEU  77  -5.530   2.805   5.322
  563    HA   LEU  77           HA       LEU  77  -7.625   4.658   5.238
  564    HB2  LEU  77           HB2      LEU  77  -5.348   4.212   3.327
  565    HB3  LEU  77           HB1      LEU  77  -6.413   5.594   3.274
  566    HG   LEU  77           HG       LEU  77  -4.526   4.891   5.518
  567   HD11  LEU  77          HD11      LEU  77  -3.405   5.693   3.529
  568   HD12  LEU  77          HD12      LEU  77  -3.336   6.894   4.815
  569   HD13  LEU  77          HD13      LEU  77  -4.468   7.097   3.476
  570   HD21  LEU  77          HD21      LEU  77  -6.348   7.278   5.186
  571   HD22  LEU  77          HD22      LEU  77  -5.154   7.066   6.465
  572   HD23  LEU  77          HD23      LEU  77  -6.546   5.984   6.366
  573    H    ILE  78           HN       ILE  78  -6.635   2.197   2.871
  574    HA   ILE  78           HA       ILE  78  -8.845   2.820   1.192
  575    HB   ILE  78           HB       ILE  78  -6.951   0.464   1.116
  576   HG12  ILE  78          HG12      ILE  78  -7.105   3.039  -0.463
  577   HG13  ILE  78          HG11      ILE  78  -5.846   2.550   0.661
  578   HG21  ILE  78          HG21      ILE  78  -7.799   0.030  -1.165
  579   HG22  ILE  78          HG22      ILE  78  -9.003   1.301  -0.951
  580   HG23  ILE  78          HG23      ILE  78  -9.073  -0.155   0.040
  581   HD11  ILE  78          HD11      ILE  78  -5.119   0.817  -0.862
  582   HD12  ILE  78          HD12      ILE  78  -5.191   2.381  -1.736
  583   HD13  ILE  78          HD13      ILE  78  -6.463   1.188  -1.936
  584    H    ASN  79           HN       ASN  79  -8.372   0.614   3.800
  585    HA   ASN  79           HA       ASN  79 -10.696  -0.960   3.487
  586    HB2  ASN  79           HB2      ASN  79  -8.957  -0.302   5.832
  587    HB3  ASN  79           HB1      ASN  79 -10.553  -0.953   6.168
  588   HD21  ASN  79          HD21      ASN  79  -8.724  -1.899   3.347
  589   HD22  ASN  79          HD22      ASN  79  -8.377  -3.511   3.891
  590    H    GLY  80           HN       GLY  80 -10.248   2.267   4.671
  591    HA2  GLY  80           HA2      GLY  80 -13.014   2.450   5.501
  592    HA3  GLY  80           HA1      GLY  80 -11.816   3.740   5.543
  593    H    ALA  81           HN       ALA  81 -10.949   3.530   2.863
  594    HA   ALA  81           HA       ALA  81 -12.786   5.330   1.697
  595    HB1  ALA  81           HB1      ALA  81 -11.268   5.369  -0.205
  596    HB2  ALA  81           HB2      ALA  81 -10.442   3.937   0.408
  597    HB3  ALA  81           HB3      ALA  81 -10.364   5.450   1.308
  598    H    LEU  82           HN       LEU  82 -12.007   1.955   1.043
  599    HA   LEU  82           HA       LEU  82 -13.805   1.754  -1.152
  600    HB2  LEU  82           HB2      LEU  82 -12.297  -0.217   0.487
  601    HB3  LEU  82           HB1      LEU  82 -13.533  -0.772  -0.604
  602    HG   LEU  82           HG       LEU  82 -10.989   0.707  -1.332
  603   HD11  LEU  82          HD11      LEU  82 -10.421  -1.376  -2.466
  604   HD12  LEU  82          HD12      LEU  82 -11.923  -2.102  -1.893
  605   HD13  LEU  82          HD13      LEU  82 -10.675  -1.633  -0.739
  606   HD21  LEU  82          HD21      LEU  82 -12.843   1.389  -2.791
  607   HD22  LEU  82          HD22      LEU  82 -13.206  -0.304  -3.123
  608   HD23  LEU  82          HD23      LEU  82 -11.677   0.391  -3.657
  609    H    ALA  83           HN       ALA  83 -14.270   1.789   2.195
  610    HA   ALA  83           HA       ALA  83 -16.706   0.240   2.071
  611    HB1  ALA  83           HB1      ALA  83 -16.909   0.734   4.462
  612    HB2  ALA  83           HB2      ALA  83 -15.540   1.838   4.353
  613    HB3  ALA  83           HB3      ALA  83 -15.301   0.111   4.084
  614    H    GLU  84           HN       GLU  84 -15.721   3.605   2.538
  615    HA   GLU  84           HA       GLU  84 -18.421   4.521   2.638
  616    HB2  GLU  84           HB2      GLU  84 -17.431   6.803   2.589
  617    HB3  GLU  84           HB1      GLU  84 -16.825   5.781   3.881
  618    HG2  GLU  84           HG2      GLU  84 -14.780   5.393   2.659
  619    HG3  GLU  84           HG1      GLU  84 -15.397   6.315   1.289
  620    H    ALA  85           HN       ALA  85 -15.890   4.603   0.121
  621    HA   ALA  85           HA       ALA  85 -17.827   5.785  -1.672
  622    HB1  ALA  85           HB1      ALA  85 -14.929   5.071  -2.178
  623    HB2  ALA  85           HB2      ALA  85 -15.531   6.668  -1.728
  624    HB3  ALA  85           HB3      ALA  85 -15.985   5.960  -3.276
  625    H    ALA  86           HN       ALA  86 -19.156   3.952  -1.417
  626    HA   ALA  86           HA       ALA  86 -18.882   2.144  -3.599
  627    HB1  ALA  86           HB1      ALA  86 -19.094   0.093  -2.234
  628    HB2  ALA  86           HB2      ALA  86 -18.922   1.057  -0.768
  629    HB3  ALA  86           HB3      ALA  86 -17.576   0.928  -1.900
  630    H28  SXM  87          H28A      SXM  87   7.822  11.659  -1.908
  631   H28A  SXM  87          H28B      SXM  87   8.653  11.865  -0.369
  632    H30  SXM  87          H30A      SXM  87   8.601  14.839  -3.373
  633   H30A  SXM  87          H30B      SXM  87   7.643  13.363  -3.471
  634   H30B  SXM  87          H30C      SXM  87   9.393  13.294  -3.687
  635    H31  SXM  87          H31C      SXM  87   7.622  15.289  -1.078
  636   H31A  SXM  87          H31A      SXM  87   7.671  14.007   0.132
  637   H31B  SXM  87          H31B      SXM  87   6.659  13.827  -1.301
  638    H32  SXM  87          H32A      SXM  87  10.963  13.685  -1.604
  639   HO33  SXM  87          H33A      SXM  87  10.231  14.863   0.648
  640   HN36  SXM  87          H36A      SXM  87  10.597  15.460  -3.263
  641    H37  SXM  87          H37B      SXM  87  11.440  17.972  -2.538
  642   H37A  SXM  87          H37A      SXM  87   9.670  18.023  -2.479
  643    H38  SXM  87          H38A      SXM  87  11.345  17.403  -4.897
  644   H38A  SXM  87          H38B      SXM  87   9.656  17.053  -4.757
  645   HN41  SXM  87          H41A      SXM  87   9.675  19.716  -2.984
  646    H42  SXM  87          H42A      SXM  87   9.853  21.814  -4.974
  647   H42A  SXM  87          H42B      SXM  87   8.236  21.337  -4.517
  648    H43  SXM  87          H43A      SXM  87  10.295  22.507  -2.663
  649   H43A  SXM  87          H43B      SXM  87   8.819  21.697  -2.147
  650    H2   SXM  87           H2A      SXM  87   8.034  26.227  -0.631
  651    H2A  SXM  87           H2B      SXM  87   6.730  25.299  -1.331
  Start of MODEL    9
    1    H1   MET   1           HT1      MET   1 -20.043  -2.142  -3.128
    2    H2   MET   1           HT2      MET   1 -21.364  -3.199  -3.167
    3    H3   MET   1           HT3      MET   1 -20.018  -3.498  -4.150
    4    HA   MET   1           HA       MET   1 -20.189  -3.530  -1.205
    5    HB2  MET   1           HB2      MET   1 -21.189  -5.502  -2.300
    6    HB3  MET   1           HB1      MET   1 -19.697  -5.775  -3.182
    7    HG2  MET   1           HG2      MET   1 -18.531  -6.212  -1.082
    8    HG3  MET   1           HG1      MET   1 -20.021  -5.908  -0.190
    9    HE1  MET   1           HE1      MET   1 -19.524  -9.775   0.201
   10    HE2  MET   1           HE2      MET   1 -19.751  -8.242   1.046
   11    HE3  MET   1           HE3      MET   1 -18.262  -8.546   0.148
   12    H    ALA   2           HN       ALA   2 -18.386  -3.483  -0.116
   13    HA   ALA   2           HA       ALA   2 -16.041  -2.543  -1.460
   14    HB1  ALA   2           HB1      ALA   2 -16.566  -3.113   1.445
   15    HB2  ALA   2           HB2      ALA   2 -16.800  -1.561   0.642
   16    HB3  ALA   2           HB3      ALA   2 -15.180  -2.250   0.788
   17    H    THR   3           HN       THR   3 -14.842  -4.073  -2.447
   18    HA   THR   3           HA       THR   3 -14.253  -6.475  -0.933
   19    HB   THR   3           HB       THR   3 -14.666  -6.895  -3.290
   20    HG1  THR   3           HG1      THR   3 -11.866  -7.005  -3.178
   21   HG21  THR   3          HG21      THR   3 -12.480  -4.889  -3.919
   22   HG22  THR   3          HG22      THR   3 -14.199  -4.695  -4.274
   23   HG23  THR   3          HG23      THR   3 -13.260  -5.937  -5.100
   24    H    LEU   4           HN       LEU   4 -12.849  -6.114   0.604
   25    HA   LEU   4           HA       LEU   4 -11.012  -3.929   0.485
   26    HB2  LEU   4           HB2      LEU   4 -11.192  -6.165   2.497
   27    HB3  LEU   4           HB1      LEU   4 -10.306  -4.668   2.684
   28    HG   LEU   4           HG       LEU   4 -13.281  -4.967   2.506
   29   HD11  LEU   4          HD11      LEU   4 -13.266  -4.210   4.839
   30   HD12  LEU   4          HD12      LEU   4 -11.503  -4.226   4.817
   31   HD13  LEU   4          HD13      LEU   4 -12.401  -5.730   4.624
   32   HD21  LEU   4          HD21      LEU   4 -11.633  -2.480   2.928
   33   HD22  LEU   4          HD22      LEU   4 -13.398  -2.562   3.011
   34   HD23  LEU   4          HD23      LEU   4 -12.574  -2.866   1.488
   35    H    LEU   5           HN       LEU   5  -8.807  -4.035   0.380
   36    HA   LEU   5           HA       LEU   5  -7.783  -6.018  -1.323
   37    HB2  LEU   5           HB2      LEU   5  -6.352  -3.837   0.259
   38    HB3  LEU   5           HB1      LEU   5  -5.570  -4.903  -0.905
   39    HG   LEU   5           HG       LEU   5  -7.742  -2.897  -1.429
   40   HD11  LEU   5          HD11      LEU   5  -5.581  -1.903  -0.927
   41   HD12  LEU   5          HD12      LEU   5  -5.988  -1.712  -2.635
   42   HD13  LEU   5          HD13      LEU   5  -4.819  -2.933  -2.139
   43   HD21  LEU   5          HD21      LEU   5  -7.344  -3.415  -3.773
   44   HD22  LEU   5          HD22      LEU   5  -7.929  -4.824  -2.889
   45   HD23  LEU   5          HD23      LEU   5  -6.220  -4.686  -3.305
   46    H    THR   6           HN       THR   6  -7.023  -7.963  -0.877
   47    HA   THR   6           HA       THR   6  -6.884  -8.795   1.841
   48    HB   THR   6           HB       THR   6  -6.266 -10.997   0.846
   49    HG1  THR   6           HG1      THR   6  -6.287 -11.156  -1.426
   50   HG21  THR   6          HG21      THR   6  -8.666  -9.652  -0.419
   51   HG22  THR   6          HG22      THR   6  -8.629 -10.407   1.174
   52   HG23  THR   6          HG23      THR   6  -8.417 -11.395  -0.273
   53    H    THR   7           HN       THR   7  -4.750 -10.448   2.063
   54    HA   THR   7           HA       THR   7  -2.740  -8.433   2.179
   55    HB   THR   7           HB       THR   7  -2.472 -11.320   3.065
   56    HG1  THR   7           HG1      THR   7  -3.753  -9.046   4.132
   57   HG21  THR   7          HG21      THR   7  -0.372 -10.051   2.906
   58   HG22  THR   7          HG22      THR   7  -0.792 -10.317   4.607
   59   HG23  THR   7          HG23      THR   7  -1.082  -8.749   3.849
   60    H    ASP   8           HN       ASP   8  -3.518 -11.113   0.129
   61    HA   ASP   8           HA       ASP   8  -0.867 -11.209  -0.987
   62    HB2  ASP   8           HB2      ASP   8  -2.201 -13.252  -1.094
   63    HB3  ASP   8           HB1      ASP   8  -3.400 -12.432  -2.096
   64    H    ASP   9           HN       ASP   9  -3.997  -9.908  -2.054
   65    HA   ASP   9           HA       ASP   9  -3.126  -8.943  -4.542
   66    HB2  ASP   9           HB2      ASP   9  -5.531  -9.109  -3.785
   67    HB3  ASP   9           HB1      ASP   9  -5.260  -7.677  -2.799
   68    H    LEU  10           HN       LEU  10  -3.220  -7.430  -1.377
   69    HA   LEU  10           HA       LEU  10  -2.124  -4.920  -2.005
   70    HB2  LEU  10           HB2      LEU  10  -3.172  -5.357   0.122
   71    HB3  LEU  10           HB1      LEU  10  -2.017  -6.618   0.491
   72    HG   LEU  10           HG       LEU  10  -0.246  -4.886   0.661
   73   HD11  LEU  10          HD11      LEU  10  -2.543  -2.976   0.375
   74   HD12  LEU  10          HD12      LEU  10  -1.210  -3.203  -0.767
   75   HD13  LEU  10          HD13      LEU  10  -0.893  -2.555   0.851
   76   HD21  LEU  10          HD21      LEU  10  -2.648  -4.484   2.438
   77   HD22  LEU  10          HD22      LEU  10  -0.996  -3.986   2.811
   78   HD23  LEU  10          HD23      LEU  10  -1.385  -5.700   2.648
   79    H    ARG  11           HN       ARG  11  -0.601  -7.892  -0.848
   80    HA   ARG  11           HA       ARG  11   2.048  -7.078  -0.746
   81    HB2  ARG  11           HB2      ARG  11   1.267  -9.141   0.238
   82    HB3  ARG  11           HB1      ARG  11   0.895  -9.792  -1.347
   83    HG2  ARG  11           HG2      ARG  11   3.234  -9.848  -1.905
   84    HG3  ARG  11           HG1      ARG  11   3.638  -9.078  -0.365
   85    HD2  ARG  11           HD2      ARG  11   3.999 -11.488  -0.263
   86    HD3  ARG  11           HD1      ARG  11   2.725 -10.980   0.840
   87    HE   ARG  11           HE       ARG  11   1.593 -11.783  -1.611
   88   HH11  ARG  11          HH11      ARG  11   3.046 -13.136   1.315
   89   HH12  ARG  11          HH12      ARG  11   2.383 -14.696   1.089
   90   HH21  ARG  11          HH21      ARG  11   0.597 -13.865  -1.836
   91   HH22  ARG  11          HH22      ARG  11   0.936 -15.118  -0.726
   92    H    ARG  12           HN       ARG  12   0.356  -8.683  -3.442
   93    HA   ARG  12           HA       ARG  12   2.565  -8.965  -5.127
   94    HB2  ARG  12           HB2      ARG  12  -0.322  -8.534  -5.928
   95    HB3  ARG  12           HB1      ARG  12   0.944  -9.118  -6.997
   96    HG2  ARG  12           HG2      ARG  12  -0.004 -10.521  -4.504
   97    HG3  ARG  12           HG1      ARG  12  -0.484 -10.927  -6.153
   98    HD2  ARG  12           HD2      ARG  12   1.724 -11.522  -6.729
   99    HD3  ARG  12           HD1      ARG  12   2.411 -10.951  -5.226
  100    HE   ARG  12           HE       ARG  12   0.514 -12.874  -4.582
  101   HH11  ARG  12          HH11      ARG  12   3.519 -12.639  -6.401
  102   HH12  ARG  12          HH12      ARG  12   3.991 -14.258  -6.159
  103   HH21  ARG  12          HH21      ARG  12   1.150 -15.161  -4.216
  104   HH22  ARG  12          HH22      ARG  12   2.647 -15.690  -4.848
  105    H    ALA  13           HN       ALA  13   0.251  -6.308  -4.993
  106    HA   ALA  13           HA       ALA  13   1.505  -4.788  -7.026
  107    HB1  ALA  13           HB1      ALA  13  -0.334  -3.892  -4.799
  108    HB2  ALA  13           HB2      ALA  13  -0.833  -4.434  -6.400
  109    HB3  ALA  13           HB3      ALA  13   0.090  -2.941  -6.222
  110    H    LEU  14           HN       LEU  14   1.771  -4.827  -3.513
  111    HA   LEU  14           HA       LEU  14   3.396  -2.570  -3.156
  112    HB2  LEU  14           HB2      LEU  14   2.141  -3.850  -1.404
  113    HB3  LEU  14           HB1      LEU  14   3.350  -5.111  -1.521
  114    HG   LEU  14           HG       LEU  14   5.051  -3.408  -0.806
  115   HD11  LEU  14          HD11      LEU  14   3.816  -1.413  -1.417
  116   HD12  LEU  14          HD12      LEU  14   4.247  -1.395   0.292
  117   HD13  LEU  14          HD13      LEU  14   2.596  -1.780  -0.201
  118   HD21  LEU  14          HD21      LEU  14   4.143  -5.047   0.740
  119   HD22  LEU  14          HD22      LEU  14   2.780  -3.984   1.087
  120   HD23  LEU  14          HD23      LEU  14   4.414  -3.506   1.550
  121    H    VAL  15           HN       VAL  15   4.166  -5.970  -3.565
  122    HA   VAL  15           HA       VAL  15   6.956  -5.828  -3.354
  123    HB   VAL  15           HB       VAL  15   5.207  -7.860  -4.792
  124   HG11  VAL  15          HG11      VAL  15   7.133  -9.359  -4.669
  125   HG12  VAL  15          HG12      VAL  15   8.110  -8.052  -4.003
  126   HG13  VAL  15          HG13      VAL  15   7.490  -7.940  -5.650
  127   HG21  VAL  15          HG21      VAL  15   6.514  -7.905  -2.083
  128   HG22  VAL  15          HG22      VAL  15   5.597  -9.227  -2.813
  129   HG23  VAL  15          HG23      VAL  15   4.792  -7.710  -2.411
  130    H    GLU  16           HN       GLU  16   4.872  -5.910  -6.281
  131    HA   GLU  16           HA       GLU  16   7.105  -5.697  -7.980
  132    HB2  GLU  16           HB2      GLU  16   5.562  -5.350  -9.826
  133    HB3  GLU  16           HB1      GLU  16   5.018  -6.645  -8.779
  134    HG2  GLU  16           HG2      GLU  16   3.341  -5.232  -7.817
  135    HG3  GLU  16           HG1      GLU  16   3.901  -3.864  -8.784
  136    H    SER  17           HN       SER  17   5.092  -3.244  -6.496
  137    HA   SER  17           HA       SER  17   6.185  -1.134  -8.068
  138    HB2  SER  17           HB2      SER  17   4.715  -1.000  -5.440
  139    HB3  SER  17           HB1      SER  17   4.972   0.332  -6.567
  140    HG   SER  17           HG       SER  17   3.312  -1.882  -6.726
  141    H    ALA  18           HN       ALA  18   7.368  -2.905  -5.422
  142    HA   ALA  18           HA       ALA  18   8.919  -0.889  -4.148
  143    HB1  ALA  18           HB1      ALA  18   8.382  -3.008  -3.052
  144    HB2  ALA  18           HB2      ALA  18  10.120  -2.729  -3.091
  145    HB3  ALA  18           HB3      ALA  18   9.382  -3.868  -4.221
  146    H    GLY  19           HN       GLY  19   9.308  -2.747  -6.961
  147    HA2  GLY  19           HA2      GLY  19  11.733  -1.350  -7.648
  148    HA3  GLY  19           HA1      GLY  19  11.893  -3.104  -7.503
  149    H    GLU  20           HN       GLU  20  11.618  -4.158  -9.331
  150    HA   GLU  20           HA       GLU  20   9.388  -3.355 -11.008
  151    HB2  GLU  20           HB2      GLU  20  11.471  -2.318 -11.949
  152    HB3  GLU  20           HB1      GLU  20  12.129  -3.950 -12.087
  153    HG2  GLU  20           HG2      GLU  20  10.272  -4.544 -13.586
  154    HG3  GLU  20           HG1      GLU  20   9.670  -2.894 -13.474
  155    H    THR  21           HN       THR  21   8.215  -5.073 -11.396
  156    HA   THR  21           HA       THR  21   7.500  -7.221 -11.564
  157    HB   THR  21           HB       THR  21  10.319  -7.732 -12.542
  158    HG1  THR  21           HG1      THR  21   8.159  -6.348 -13.604
  159   HG21  THR  21          HG21      THR  21   7.709  -9.135 -13.202
  160   HG22  THR  21          HG22      THR  21   8.988  -9.787 -12.180
  161   HG23  THR  21          HG23      THR  21   9.284  -9.520 -13.898
  162    H    ASP  22           HN       ASP  22   7.472  -7.094  -9.244
  163    HA   ASP  22           HA       ASP  22   7.808  -7.781  -7.128
  164    HB2  ASP  22           HB2      ASP  22   9.062 -10.240  -8.443
  165    HB3  ASP  22           HB1      ASP  22   8.691 -10.091  -6.728
  166    H    GLY  23           HN       GLY  23   9.081  -6.082  -6.628
  167    HA2  GLY  23           HA2      GLY  23  11.923  -6.158  -7.090
  168    HA3  GLY  23           HA1      GLY  23  11.023  -4.877  -6.306
  169    H    THR  24           HN       THR  24   9.936  -5.814  -4.161
  170    HA   THR  24           HA       THR  24  11.935  -7.330  -2.653
  171    HB   THR  24           HB       THR  24  10.437  -4.821  -1.767
  172    HG1  THR  24           HG1      THR  24  12.234  -4.347  -3.158
  173   HG21  THR  24          HG21      THR  24  12.519  -6.473  -0.310
  174   HG22  THR  24          HG22      THR  24  10.799  -6.424   0.078
  175   HG23  THR  24          HG23      THR  24  11.791  -4.982   0.286
  176    H    ASP  25           HN       ASP  25  10.865  -9.138  -2.061
  177    HA   ASP  25           HA       ASP  25   7.974  -9.163  -2.112
  178    HB2  ASP  25           HB2      ASP  25   8.036 -11.495  -2.076
  179    HB3  ASP  25           HB1      ASP  25   9.514 -11.099  -2.931
  180    H    LEU  26           HN       LEU  26   6.661  -9.772  -0.453
  181    HA   LEU  26           HA       LEU  26   7.735  -9.518   2.277
  182    HB2  LEU  26           HB2      LEU  26   5.219  -8.200   1.203
  183    HB3  LEU  26           HB1      LEU  26   5.618  -8.313   2.894
  184    HG   LEU  26           HG       LEU  26   6.038  -6.135   2.301
  185   HD11  LEU  26          HD11      LEU  26   7.774  -6.985   3.649
  186   HD12  LEU  26          HD12      LEU  26   8.426  -5.788   2.523
  187   HD13  LEU  26          HD13      LEU  26   8.677  -7.515   2.229
  188   HD21  LEU  26          HD21      LEU  26   7.535  -7.076  -0.134
  189   HD22  LEU  26          HD22      LEU  26   7.380  -5.397   0.379
  190   HD23  LEU  26          HD23      LEU  26   5.949  -6.307  -0.110
  191    H    SER  27           HN       SER  27   7.523 -11.908   1.491
  192    HA   SER  27           HA       SER  27   4.843 -12.859   1.340
  193    HB2  SER  27           HB2      SER  27   7.388 -14.461   1.396
  194    HB3  SER  27           HB1      SER  27   5.802 -15.018   0.838
  195    HG   SER  27           HG       SER  27   7.655 -13.348  -0.361
  196    H    GLY  28           HN       GLY  28   6.617 -12.115   3.849
  197    HA2  GLY  28           HA2      GLY  28   5.576 -14.189   5.647
  198    HA3  GLY  28           HA1      GLY  28   6.711 -12.915   6.096
  199    H    ASP  29           HN       ASP  29   5.831 -11.541   7.500
  200    HA   ASP  29           HA       ASP  29   3.075 -10.672   6.964
  201    HB2  ASP  29           HB2      ASP  29   3.246 -12.193   8.998
  202    HB3  ASP  29           HB1      ASP  29   4.227 -10.939   9.752
  203    H    PHE  30           HN       PHE  30   3.010  -8.594   6.578
  204    HA   PHE  30           HA       PHE  30   5.311  -6.945   7.432
  205    HB2  PHE  30           HB2      PHE  30   5.207  -5.834   5.240
  206    HB3  PHE  30           HB1      PHE  30   5.564  -7.553   5.119
  207    HD1  PHE  30           HD2      PHE  30   3.824  -9.120   4.279
  208    HD2  PHE  30           HD1      PHE  30   3.207  -4.914   4.282
  209    HE1  PHE  30           HE2      PHE  30   1.959  -9.396   2.709
  210    HE2  PHE  30           HE1      PHE  30   1.338  -5.189   2.710
  211    HZ   PHE  30           HZ       PHE  30   0.712  -7.428   1.920
  212    H    LEU  31           HN       LEU  31   2.174  -7.201   8.076
  213    HA   LEU  31           HA       LEU  31   1.060  -4.782   7.165
  214    HB2  LEU  31           HB2      LEU  31   0.167  -6.640   9.344
  215    HB3  LEU  31           HB1      LEU  31  -0.700  -5.170   8.968
  216    HG   LEU  31           HG       LEU  31  -1.827  -6.969   7.933
  217   HD11  LEU  31          HD11      LEU  31  -1.774  -6.357   5.568
  218   HD12  LEU  31          HD12      LEU  31  -0.291  -5.449   5.850
  219   HD13  LEU  31          HD13      LEU  31  -1.794  -4.955   6.635
  220   HD21  LEU  31          HD21      LEU  31   0.777  -7.719   6.617
  221   HD22  LEU  31          HD22      LEU  31  -0.788  -8.448   6.260
  222   HD23  LEU  31          HD23      LEU  31  -0.068  -8.641   7.865
  223    H    ASP  32           HN       ASP  32   2.733  -5.482  10.191
  224    HA   ASP  32           HA       ASP  32   2.312  -2.659  10.878
  225    HB2  ASP  32           HB2      ASP  32   2.955  -3.162  13.193
  226    HB3  ASP  32           HB1      ASP  32   1.617  -4.174  12.688
  227    H    LEU  33           HN       LEU  33   4.360  -4.260   9.169
  228    HA   LEU  33           HA       LEU  33   6.853  -3.407  10.285
  229    HB2  LEU  33           HB2      LEU  33   6.023  -4.855   7.843
  230    HB3  LEU  33           HB1      LEU  33   7.494  -3.914   7.705
  231    HG   LEU  33           HG       LEU  33   8.553  -5.185   9.454
  232   HD11  LEU  33          HD11      LEU  33   7.454  -7.041  10.576
  233   HD12  LEU  33          HD12      LEU  33   5.935  -6.624   9.764
  234   HD13  LEU  33          HD13      LEU  33   6.682  -5.485  10.893
  235   HD21  LEU  33          HD21      LEU  33   7.134  -6.997   7.510
  236   HD22  LEU  33          HD22      LEU  33   8.569  -7.420   8.438
  237   HD23  LEU  33          HD23      LEU  33   8.650  -6.144   7.223
  238    H    ARG  34           HN       ARG  34   8.143  -1.856   9.561
  239    HA   ARG  34           HA       ARG  34   6.669   0.467   8.567
  240    HB2  ARG  34           HB2      ARG  34   9.496   0.277   9.608
  241    HB3  ARG  34           HB1      ARG  34   8.656   1.767   9.206
  242    HG2  ARG  34           HG2      ARG  34   7.017   1.311  10.974
  243    HG3  ARG  34           HG1      ARG  34   7.892  -0.169  11.381
  244    HD2  ARG  34           HD2      ARG  34   8.999   2.633  11.488
  245    HD3  ARG  34           HD1      ARG  34   8.476   1.681  12.881
  246    HE   ARG  34           HE       ARG  34  10.289   0.075  12.199
  247   HH11  ARG  34          HH11      ARG  34  10.527   3.516  11.319
  248   HH12  ARG  34          HH12      ARG  34  12.233   3.524  11.380
  249   HH21  ARG  34          HH21      ARG  34  12.617   0.129  12.261
  250   HH22  ARG  34          HH22      ARG  34  13.445   1.566  11.931
  251    H    PHE  35           HN       PHE  35   6.934   1.334   6.627
  252    HA   PHE  35           HA       PHE  35   8.028  -0.194   4.594
  253    HB2  PHE  35           HB2      PHE  35   7.091   2.650   4.635
  254    HB3  PHE  35           HB1      PHE  35   7.810   1.943   3.187
  255    HD1  PHE  35           HD2      PHE  35   6.790  -0.431   2.586
  256    HD2  PHE  35           HD1      PHE  35   4.813   2.582   4.810
  257    HE1  PHE  35           HE2      PHE  35   4.624  -1.399   1.959
  258    HE2  PHE  35           HE1      PHE  35   2.643   1.626   4.193
  259    HZ   PHE  35           HZ       PHE  35   2.542  -0.368   2.762
  260    H    GLU  36           HN       GLU  36   9.444   2.636   6.163
  261    HA   GLU  36           HA       GLU  36  11.695   2.714   4.449
  262    HB2  GLU  36           HB2      GLU  36  12.741   4.175   6.079
  263    HB3  GLU  36           HB1      GLU  36  11.060   4.627   5.856
  264    HG2  GLU  36           HG2      GLU  36  10.468   3.542   7.936
  265    HG3  GLU  36           HG1      GLU  36  12.129   2.989   8.140
  266    H    ASP  37           HN       ASP  37  10.878   0.713   7.083
  267    HA   ASP  37           HA       ASP  37  13.562  -0.136   7.657
  268    HB2  ASP  37           HB2      ASP  37  11.965  -0.174   9.477
  269    HB3  ASP  37           HB1      ASP  37  10.885  -1.219   8.563
  270    H    ILE  38           HN       ILE  38  10.905  -1.186   5.687
  271    HA   ILE  38           HA       ILE  38  12.423  -3.547   4.910
  272    HB   ILE  38           HB       ILE  38  10.405  -4.248   3.615
  273   HG12  ILE  38          HG12      ILE  38   9.123  -1.835   4.934
  274   HG13  ILE  38          HG11      ILE  38   9.446  -2.006   3.214
  275   HG21  ILE  38          HG21      ILE  38  10.785  -5.076   5.851
  276   HG22  ILE  38          HG22      ILE  38   9.056  -4.827   5.594
  277   HG23  ILE  38          HG23      ILE  38   9.988  -3.663   6.538
  278   HD11  ILE  38          HD11      ILE  38   7.547  -3.685   4.834
  279   HD12  ILE  38          HD12      ILE  38   7.853  -3.856   3.105
  280   HD13  ILE  38          HD13      ILE  38   7.104  -2.385   3.730
  281    H    GLY  39           HN       GLY  39  13.102  -0.803   4.146
  282    HA2  GLY  39           HA2      GLY  39  14.408  -0.054   2.394
  283    HA3  GLY  39           HA1      GLY  39  13.979  -1.499   1.508
  284    H    TYR  40           HN       TYR  40  11.407   0.505   2.685
  285    HA   TYR  40           HA       TYR  40  10.879   1.275  -0.080
  286    HB2  TYR  40           HB2      TYR  40   9.123   1.031   2.324
  287    HB3  TYR  40           HB1      TYR  40   8.634   2.007   0.951
  288    HD1  TYR  40           HD1      TYR  40  10.275  -1.339   1.200
  289    HD2  TYR  40           HD2      TYR  40   6.943   0.943  -0.144
  290    HE1  TYR  40           HE1      TYR  40   9.344  -3.339   0.134
  291    HE2  TYR  40           HE2      TYR  40   6.015  -1.036  -1.222
  292    HH   TYR  40           HH       TYR  40   6.734  -3.211  -2.061
  293    H    ASP  41           HN       ASP  41  10.827   3.239  -0.746
  294    HA   ASP  41           HA       ASP  41  10.836   5.453   1.158
  295    HB2  ASP  41           HB2      ASP  41  12.933   5.417  -0.161
  296    HB3  ASP  41           HB1      ASP  41  12.025   5.191  -1.644
  297    H    SER  42           HN       SER  42   9.738   7.405  -0.372
  298    HA   SER  42           HA       SER  42   7.129   6.518  -0.627
  299    HB2  SER  42           HB2      SER  42   6.955   8.828  -1.772
  300    HB3  SER  42           HB1      SER  42   7.277   8.725  -0.038
  301    H    LEU  43           HN       LEU  43   9.708   6.654  -2.975
  302    HA   LEU  43           HA       LEU  43   8.200   6.673  -5.326
  303    HB2  LEU  43           HB2      LEU  43  10.586   6.771  -5.483
  304    HB3  LEU  43           HB1      LEU  43  10.767   5.215  -4.697
  305    HG   LEU  43           HG       LEU  43   9.780   4.111  -6.671
  306   HD11  LEU  43          HD11      LEU  43   9.495   5.342  -8.763
  307   HD12  LEU  43          HD12      LEU  43   9.790   6.859  -7.912
  308   HD13  LEU  43          HD13      LEU  43   8.376   5.879  -7.513
  309   HD21  LEU  43          HD21      LEU  43  12.129   5.892  -7.294
  310   HD22  LEU  43          HD22      LEU  43  11.686   4.425  -8.170
  311   HD23  LEU  43          HD23      LEU  43  12.194   4.330  -6.483
  312    H    ALA  44           HN       ALA  44   9.304   3.770  -3.565
  313    HA   ALA  44           HA       ALA  44   7.737   1.964  -5.065
  314    HB1  ALA  44           HB1      ALA  44   8.823   1.658  -2.268
  315    HB2  ALA  44           HB2      ALA  44   9.689   1.285  -3.759
  316    HB3  ALA  44           HB3      ALA  44   8.261   0.354  -3.315
  317    H    LEU  45           HN       LEU  45   7.167   3.761  -2.152
  318    HA   LEU  45           HA       LEU  45   4.852   2.407  -1.324
  319    HB2  LEU  45           HB2      LEU  45   6.201   3.695   0.197
  320    HB3  LEU  45           HB1      LEU  45   5.870   5.165  -0.688
  321    HG   LEU  45           HG       LEU  45   3.541   5.102   0.022
  322   HD11  LEU  45          HD11      LEU  45   2.782   3.429   1.624
  323   HD12  LEU  45          HD12      LEU  45   4.336   2.602   1.512
  324   HD13  LEU  45          HD13      LEU  45   3.267   2.671   0.107
  325   HD21  LEU  45          HD21      LEU  45   3.889   5.468   2.397
  326   HD22  LEU  45          HD22      LEU  45   5.184   6.208   1.442
  327   HD23  LEU  45          HD23      LEU  45   5.466   4.685   2.296
  328    H    MET  46           HN       MET  46   5.242   5.484  -3.108
  329    HA   MET  46           HA       MET  46   2.478   6.073  -3.338
  330    HB2  MET  46           HB2      MET  46   4.730   6.906  -5.161
  331    HB3  MET  46           HB1      MET  46   3.116   7.586  -5.164
  332    HG2  MET  46           HG2      MET  46   5.151   7.779  -2.973
  333    HG3  MET  46           HG1      MET  46   4.672   9.005  -4.152
  334    HE1  MET  46           HE1      MET  46   0.982   9.708  -2.974
  335    HE2  MET  46           HE2      MET  46   1.515   8.554  -4.200
  336    HE3  MET  46           HE3      MET  46   2.257  10.153  -4.107
  337    H    GLU  47           HN       GLU  47   4.802   4.489  -5.407
  338    HA   GLU  47           HA       GLU  47   3.206   4.117  -7.643
  339    HB2  GLU  47           HB2      GLU  47   5.602   3.934  -7.497
  340    HB3  GLU  47           HB1      GLU  47   5.476   2.477  -6.543
  341    HG2  GLU  47           HG2      GLU  47   6.043   1.985  -8.900
  342    HG3  GLU  47           HG1      GLU  47   4.546   1.227  -8.377
  343    H    THR  48           HN       THR  48   3.445   2.310  -4.676
  344    HA   THR  48           HA       THR  48   1.733   0.165  -5.487
  345    HB   THR  48           HB       THR  48   2.448   1.206  -2.724
  346    HG1  THR  48           HG1      THR  48   4.312   0.476  -3.718
  347   HG21  THR  48          HG21      THR  48   1.280  -1.458  -3.570
  348   HG22  THR  48          HG22      THR  48   0.422  -0.180  -2.707
  349   HG23  THR  48          HG23      THR  48   1.767  -1.016  -1.931
  350    H    ALA  49           HN       ALA  49   1.339   2.950  -3.286
  351    HA   ALA  49           HA       ALA  49  -1.342   2.662  -2.680
  352    HB1  ALA  49           HB1      ALA  49   0.217   4.085  -1.438
  353    HB2  ALA  49           HB2      ALA  49  -1.260   4.951  -1.877
  354    HB3  ALA  49           HB3      ALA  49   0.226   5.231  -2.778
  355    H    ALA  50           HN       ALA  50   0.054   4.880  -5.119
  356    HA   ALA  50           HA       ALA  50  -2.370   6.032  -5.919
  357    HB1  ALA  50           HB1      ALA  50  -1.139   6.896  -7.829
  358    HB2  ALA  50           HB2      ALA  50   0.172   5.758  -7.522
  359    HB3  ALA  50           HB3      ALA  50  -0.177   7.036  -6.358
  360    H    ARG  51           HN       ARG  51  -0.714   3.168  -6.998
  361    HA   ARG  51           HA       ARG  51  -2.307   2.786  -9.315
  362    HB2  ARG  51           HB2      ARG  51  -0.083   1.774  -9.016
  363    HB3  ARG  51           HB1      ARG  51  -0.730   0.767  -7.729
  364    HG2  ARG  51           HG2      ARG  51  -2.227  -0.314  -9.318
  365    HG3  ARG  51           HG1      ARG  51  -1.595   0.717 -10.609
  366    HD2  ARG  51           HD2      ARG  51   0.649  -0.182 -10.167
  367    HD3  ARG  51           HD1      ARG  51  -0.050  -1.263  -8.966
  368    HE   ARG  51           HE       ARG  51  -1.461  -1.744 -11.231
  369   HH11  ARG  51          HH11      ARG  51   2.007  -1.734 -10.445
  370   HH12  ARG  51          HH12      ARG  51   2.381  -3.085 -11.413
  371   HH21  ARG  51          HH21      ARG  51  -0.921  -3.487 -12.712
  372   HH22  ARG  51          HH22      ARG  51   0.693  -4.026 -12.841
  373    H    LEU  52           HN       LEU  52  -2.335   1.481  -6.026
  374    HA   LEU  52           HA       LEU  52  -4.582  -0.183  -6.327
  375    HB2  LEU  52           HB2      LEU  52  -3.536   1.182  -3.845
  376    HB3  LEU  52           HB1      LEU  52  -4.748  -0.083  -3.857
  377    HG   LEU  52           HG       LEU  52  -1.890  -0.380  -4.751
  378   HD11  LEU  52          HD11      LEU  52  -3.297  -1.381  -2.282
  379   HD12  LEU  52          HD12      LEU  52  -2.076  -0.109  -2.352
  380   HD13  LEU  52          HD13      LEU  52  -1.641  -1.767  -2.755
  381   HD21  LEU  52          HD21      LEU  52  -4.085  -2.442  -4.482
  382   HD22  LEU  52          HD22      LEU  52  -2.399  -2.777  -4.874
  383   HD23  LEU  52          HD23      LEU  52  -3.399  -1.846  -5.993
  384    H    GLU  53           HN       GLU  53  -4.263   3.205  -5.387
  385    HA   GLU  53           HA       GLU  53  -6.883   3.721  -4.715
  386    HB2  GLU  53           HB2      GLU  53  -5.110   5.651  -6.212
  387    HB3  GLU  53           HB1      GLU  53  -6.589   5.925  -5.301
  388    HG2  GLU  53           HG2      GLU  53  -5.587   5.580  -3.266
  389    HG3  GLU  53           HG1      GLU  53  -4.103   4.951  -3.999
  390    H    SER  54           HN       SER  54  -5.327   4.380  -7.838
  391    HA   SER  54           HA       SER  54  -7.636   5.124  -9.200
  392    HB2  SER  54           HB2      SER  54  -5.099   3.956 -10.345
  393    HB3  SER  54           HB1      SER  54  -6.256   5.003 -11.179
  394    HG   SER  54           HG       SER  54  -4.197   5.684  -9.636
  395    H    ARG  55           HN       ARG  55  -6.165   1.970  -8.765
  396    HA   ARG  55           HA       ARG  55  -7.633   0.550 -10.698
  397    HB2  ARG  55           HB2      ARG  55  -5.539  -0.236  -9.729
  398    HB3  ARG  55           HB1      ARG  55  -6.288  -0.340  -8.150
  399    HG2  ARG  55           HG2      ARG  55  -7.683  -2.178  -8.933
  400    HG3  ARG  55           HG1      ARG  55  -6.952  -2.048 -10.540
  401    HD2  ARG  55           HD2      ARG  55  -4.793  -2.606  -9.693
  402    HD3  ARG  55           HD1      ARG  55  -5.355  -2.495  -8.029
  403    HE   ARG  55           HE       ARG  55  -6.369  -4.558  -9.869
  404   HH11  ARG  55          HH11      ARG  55  -4.774  -3.663  -6.824
  405   HH12  ARG  55          HH12      ARG  55  -4.928  -5.222  -6.142
  406   HH21  ARG  55          HH21      ARG  55  -6.479  -6.697  -8.934
  407   HH22  ARG  55          HH22      ARG  55  -5.854  -6.952  -7.343
  408    H    TYR  56           HN       TYR  56  -8.454   1.572  -7.437
  409    HA   TYR  56           HA       TYR  56 -10.932   0.022  -7.700
  410    HB2  TYR  56           HB2      TYR  56  -9.393   0.672  -5.200
  411    HB3  TYR  56           HB1      TYR  56 -11.065   0.109  -5.186
  412    HD1  TYR  56           HD2      TYR  56  -7.607  -0.804  -6.050
  413    HD2  TYR  56           HD1      TYR  56 -11.601  -2.175  -5.598
  414    HE1  TYR  56           HE2      TYR  56  -6.813  -3.126  -6.154
  415    HE2  TYR  56           HE1      TYR  56 -10.823  -4.497  -5.697
  416    HH   TYR  56           HH       TYR  56  -8.941  -5.772  -6.540
  417    H    GLY  57           HN       GLY  57  -9.853   3.051  -7.913
  418    HA2  GLY  57           HA2      GLY  57 -11.093   4.962  -8.278
  419    HA3  GLY  57           HA1      GLY  57 -12.526   4.092  -7.768
  420    H    VAL  58           HN       VAL  58  -9.598   4.429  -5.819
  421    HA   VAL  58           HA       VAL  58 -11.225   6.091  -4.043
  422    HB   VAL  58           HB       VAL  58  -9.961   5.358  -2.083
  423   HG11  VAL  58          HG11      VAL  58 -11.888   4.041  -2.696
  424   HG12  VAL  58          HG12      VAL  58 -10.606   3.020  -2.006
  425   HG13  VAL  58          HG13      VAL  58 -10.859   3.057  -3.747
  426   HG21  VAL  58          HG21      VAL  58  -8.292   3.617  -2.163
  427   HG22  VAL  58          HG22      VAL  58  -7.788   4.958  -3.204
  428   HG23  VAL  58          HG23      VAL  58  -8.502   3.488  -3.902
  429    H    SER  59           HN       SER  59  -9.680   7.410  -2.448
  430    HA   SER  59           HA       SER  59  -7.548   8.617  -4.030
  431    HB2  SER  59           HB2      SER  59  -9.873  10.194  -2.903
  432    HB3  SER  59           HB1      SER  59  -8.463  10.868  -3.713
  433    HG   SER  59           HG       SER  59 -10.488   9.207  -4.821
  434    H    ILE  60           HN       ILE  60  -5.900   8.466  -2.744
  435    HA   ILE  60           HA       ILE  60  -6.028   9.403   0.046
  436    HB   ILE  60           HB       ILE  60  -4.203   7.299  -1.224
  437   HG12  ILE  60          HG12      ILE  60  -6.290   6.996   0.954
  438   HG13  ILE  60          HG11      ILE  60  -6.484   6.499  -0.719
  439   HG21  ILE  60          HG21      ILE  60  -4.156   8.288   1.641
  440   HG22  ILE  60          HG22      ILE  60  -2.946   8.633   0.409
  441   HG23  ILE  60          HG23      ILE  60  -3.148   6.995   0.989
  442   HD11  ILE  60          HD11      ILE  60  -4.485   5.374   1.231
  443   HD12  ILE  60          HD12      ILE  60  -4.716   4.850  -0.441
  444   HD13  ILE  60          HD13      ILE  60  -6.005   4.625   0.743
  445    HA   PRO  61           HA       PRO  61  -3.824  12.719  -2.174
  446    HB2  PRO  61           HB2      PRO  61  -3.336  13.503   0.668
  447    HB3  PRO  61           HB1      PRO  61  -3.906  14.490  -0.684
  448    HG2  PRO  61           HG2      PRO  61  -5.614  13.672   1.167
  449    HG3  PRO  61           HG1      PRO  61  -6.078  13.650  -0.546
  450    HD2  PRO  61           HD2      PRO  61  -5.270  11.389   1.230
  451    HD3  PRO  61           HD1      PRO  61  -6.516  11.436  -0.037
  452    H    ASP  62           HN       ASP  62  -1.667  13.280  -2.515
  453    HA   ASP  62           HA       ASP  62   0.284  11.274  -2.180
  454    HB2  ASP  62           HB2      ASP  62   0.623  14.203  -2.882
  455    HB3  ASP  62           HB1      ASP  62   1.911  13.014  -2.972
  456    H    ASP  63           HN       ASP  63  -0.079  14.353  -0.484
  457    HA   ASP  63           HA       ASP  63   2.092  14.132   1.247
  458    HB2  ASP  63           HB2      ASP  63   0.820  16.206   0.977
  459    HB3  ASP  63           HB1      ASP  63  -0.585  15.464   1.728
  460    H    VAL  64           HN       VAL  64  -0.975  12.568   1.379
  461    HA   VAL  64           HA       VAL  64  -0.640  11.653   4.122
  462    HB   VAL  64           HB       VAL  64  -2.768  10.906   2.081
  463   HG11  VAL  64          HG11      VAL  64  -2.556   9.257   3.864
  464   HG12  VAL  64          HG12      VAL  64  -4.072  10.147   4.010
  465   HG13  VAL  64          HG13      VAL  64  -2.718  10.529   5.075
  466   HG21  VAL  64          HG21      VAL  64  -2.849  12.961   4.286
  467   HG22  VAL  64          HG22      VAL  64  -4.219  12.480   3.287
  468   HG23  VAL  64          HG23      VAL  64  -2.834  13.291   2.554
  469    H    ALA  65           HN       ALA  65  -0.744  10.305   0.836
  470    HA   ALA  65           HA       ALA  65  -0.288   7.621   1.465
  471    HB1  ALA  65           HB1      ALA  65   0.506   9.086  -1.035
  472    HB2  ALA  65           HB2      ALA  65  -1.086   8.378  -0.725
  473    HB3  ALA  65           HB3      ALA  65   0.344   7.344  -0.861
  474    H    GLY  66           HN       GLY  66   1.981  10.254   0.862
  475    HA2  GLY  66           HA2      GLY  66   4.261   8.506   1.062
  476    HA3  GLY  66           HA1      GLY  66   4.294  10.265   0.982
  477    H    ARG  67           HN       ARG  67   2.167   9.227   3.323
  478    HA   ARG  67           HA       ARG  67   4.175   9.491   5.445
  479    HB2  ARG  67           HB2      ARG  67   2.751  11.512   5.132
  480    HB3  ARG  67           HB1      ARG  67   1.330  10.538   5.444
  481    HG2  ARG  67           HG2      ARG  67   2.102  10.142   7.724
  482    HG3  ARG  67           HG1      ARG  67   3.551  11.099   7.403
  483    HD2  ARG  67           HD2      ARG  67   2.172  13.057   6.961
  484    HD3  ARG  67           HD1      ARG  67   0.713  12.104   7.226
  485    HE   ARG  67           HE       ARG  67   2.504  12.037   9.439
  486   HH11  ARG  67          HH11      ARG  67   0.006  14.082   7.905
  487   HH12  ARG  67          HH12      ARG  67  -0.484  14.791   9.374
  488   HH21  ARG  67          HH21      ARG  67   1.814  13.061  11.431
  489   HH22  ARG  67          HH22      ARG  67   0.520  14.168  11.418
  490    H    VAL  68           HN       VAL  68   2.152   7.319   3.986
  491    HA   VAL  68           HA       VAL  68   1.157   6.087   6.392
  492    HB   VAL  68           HB       VAL  68   0.317   4.209   4.932
  493   HG11  VAL  68          HG11      VAL  68  -1.426   5.506   3.824
  494   HG12  VAL  68          HG12      VAL  68  -0.483   6.973   4.085
  495   HG13  VAL  68          HG13      VAL  68  -1.113   6.067   5.466
  496   HG21  VAL  68          HG21      VAL  68   1.904   4.294   3.027
  497   HG22  VAL  68          HG22      VAL  68   1.322   5.921   2.650
  498   HG23  VAL  68          HG23      VAL  68   0.240   4.562   2.473
  499    H    ASP  69           HN       ASP  69   2.805   5.712   7.568
  500    HA   ASP  69           HA       ASP  69   5.317   4.704   6.854
  501    HB2  ASP  69           HB2      ASP  69   4.977   6.060   8.810
  502    HB3  ASP  69           HB1      ASP  69   3.923   4.849   9.513
  503    H    THR  70           HN       THR  70   2.471   3.003   8.068
  504    HA   THR  70           HA       THR  70   3.923   0.512   7.516
  505    HB   THR  70           HB       THR  70   2.533  -0.593   9.291
  506    HG1  THR  70           HG1      THR  70   1.673   2.097   9.682
  507   HG21  THR  70          HG21      THR  70   3.670   0.420  11.232
  508   HG22  THR  70          HG22      THR  70   4.103   1.811  10.228
  509   HG23  THR  70          HG23      THR  70   4.773   0.223   9.863
  510    HA   PRO  71           HA       PRO  71   0.930  -0.529   4.415
  511    HB2  PRO  71           HB2      PRO  71   0.931  -3.263   5.595
  512    HB3  PRO  71           HB1      PRO  71   1.228  -2.758   3.924
  513    HG2  PRO  71           HG2      PRO  71   3.257  -3.484   5.440
  514    HG3  PRO  71           HG1      PRO  71   3.401  -2.066   4.383
  515    HD2  PRO  71           HD2      PRO  71   2.923  -2.182   7.336
  516    HD3  PRO  71           HD1      PRO  71   3.999  -1.112   6.413
  517    H    ARG  72           HN       ARG  72   0.284  -1.657   7.690
  518    HA   ARG  72           HA       ARG  72  -2.414  -2.277   7.381
  519    HB2  ARG  72           HB2      ARG  72  -1.191  -2.995   9.344
  520    HB3  ARG  72           HB1      ARG  72  -0.895  -1.335   9.824
  521    HG2  ARG  72           HG2      ARG  72  -3.174  -1.022  10.440
  522    HG3  ARG  72           HG1      ARG  72  -3.649  -2.550   9.692
  523    HD2  ARG  72           HD2      ARG  72  -1.744  -2.321  12.031
  524    HD3  ARG  72           HD1      ARG  72  -3.470  -2.651  12.187
  525    HE   ARG  72           HE       ARG  72  -2.858  -4.576  10.569
  526   HH11  ARG  72          HH11      ARG  72  -0.956  -3.540  13.439
  527   HH12  ARG  72          HH12      ARG  72  -0.288  -5.084  13.691
  528   HH21  ARG  72          HH21      ARG  72  -1.924  -6.687  11.013
  529   HH22  ARG  72          HH22      ARG  72  -0.794  -6.879  12.270
  530    H    GLU  73           HN       GLU  73  -0.799   0.788   7.703
  531    HA   GLU  73           HA       GLU  73  -3.161   2.315   8.287
  532    HB2  GLU  73           HB2      GLU  73  -0.423   3.172   7.340
  533    HB3  GLU  73           HB1      GLU  73  -1.688   4.270   7.854
  534    HG2  GLU  73           HG2      GLU  73  -1.633   3.355  10.078
  535    HG3  GLU  73           HG1      GLU  73  -0.421   2.172   9.585
  536    H    LEU  74           HN       LEU  74  -1.090   1.840   5.436
  537    HA   LEU  74           HA       LEU  74  -2.466   3.435   3.568
  538    HB2  LEU  74           HB2      LEU  74  -0.214   2.033   3.370
  539    HB3  LEU  74           HB1      LEU  74  -1.301   0.772   2.821
  540    HG   LEU  74           HG       LEU  74  -0.936   3.425   1.416
  541   HD11  LEU  74          HD11      LEU  74   0.303   2.140  -0.248
  542   HD12  LEU  74          HD12      LEU  74   0.185   0.709   0.776
  543   HD13  LEU  74          HD13      LEU  74   1.089   2.119   1.329
  544   HD21  LEU  74          HD21      LEU  74  -2.339   0.891   0.529
  545   HD22  LEU  74          HD22      LEU  74  -2.096   2.333  -0.454
  546   HD23  LEU  74          HD23      LEU  74  -3.132   2.404   0.969
  547    H    LEU  75           HN       LEU  75  -2.792   0.020   4.359
  548    HA   LEU  75           HA       LEU  75  -4.913  -0.581   2.642
  549    HB2  LEU  75           HB2      LEU  75  -3.491  -2.289   3.580
  550    HB3  LEU  75           HB1      LEU  75  -4.008  -1.880   5.203
  551    HG   LEU  75           HG       LEU  75  -6.280  -2.668   4.661
  552   HD11  LEU  75          HD11      LEU  75  -6.242  -2.261   2.250
  553   HD12  LEU  75          HD12      LEU  75  -6.711  -3.906   2.634
  554   HD13  LEU  75          HD13      LEU  75  -5.081  -3.574   2.044
  555   HD21  LEU  75          HD21      LEU  75  -4.674  -4.155   5.717
  556   HD22  LEU  75          HD22      LEU  75  -4.084  -4.658   4.131
  557   HD23  LEU  75          HD23      LEU  75  -5.733  -5.046   4.620
  558    H    ASP  76           HN       ASP  76  -4.839   0.730   5.908
  559    HA   ASP  76           HA       ASP  76  -7.593   0.213   6.438
  560    HB2  ASP  76           HB2      ASP  76  -5.941   0.564   8.239
  561    HB3  ASP  76           HB1      ASP  76  -5.818   2.257   7.755
  562    H    LEU  77           HN       LEU  77  -5.775   2.959   5.263
  563    HA   LEU  77           HA       LEU  77  -7.881   4.797   5.107
  564    HB2  LEU  77           HB2      LEU  77  -5.504   4.495   3.272
  565    HB3  LEU  77           HB1      LEU  77  -6.565   5.882   3.310
  566    HG   LEU  77           HG       LEU  77  -4.690   4.995   5.510
  567   HD11  LEU  77          HD11      LEU  77  -3.549   7.088   5.020
  568   HD12  LEU  77          HD12      LEU  77  -4.681   7.397   3.705
  569   HD13  LEU  77          HD13      LEU  77  -3.580   6.030   3.613
  570   HD21  LEU  77          HD21      LEU  77  -5.384   7.030   6.670
  571   HD22  LEU  77          HD22      LEU  77  -6.754   5.940   6.443
  572   HD23  LEU  77          HD23      LEU  77  -6.571   7.357   5.407
  573    H    ILE  78           HN       ILE  78  -6.701   2.412   2.809
  574    HA   ILE  78           HA       ILE  78  -8.693   2.886   0.883
  575    HB   ILE  78           HB       ILE  78  -6.813   0.561   1.312
  576   HG12  ILE  78          HG12      ILE  78  -7.078   2.723  -0.773
  577   HG13  ILE  78          HG11      ILE  78  -5.809   2.549   0.429
  578   HG21  ILE  78          HG21      ILE  78  -8.847  -0.430   0.410
  579   HG22  ILE  78          HG22      ILE  78  -7.559  -0.430  -0.796
  580   HG23  ILE  78          HG23      ILE  78  -8.860   0.758  -0.894
  581   HD11  ILE  78          HD11      ILE  78  -5.123   1.933  -1.858
  582   HD12  ILE  78          HD12      ILE  78  -6.338   0.643  -1.813
  583   HD13  ILE  78          HD13      ILE  78  -4.964   0.584  -0.704
  584    H    ASN  79           HN       ASN  79  -8.592   0.691   3.650
  585    HA   ASN  79           HA       ASN  79 -10.937  -0.729   3.177
  586    HB2  ASN  79           HB2      ASN  79  -9.460   0.033   5.654
  587    HB3  ASN  79           HB1      ASN  79 -11.085  -0.593   5.825
  588   HD21  ASN  79          HD21      ASN  79  -8.873  -1.670   3.324
  589   HD22  ASN  79          HD22      ASN  79  -8.662  -3.263   3.972
  590    H    GLY  80           HN       GLY  80 -10.483   2.315   4.907
  591    HA2  GLY  80           HA2      GLY  80 -13.222   2.715   5.498
  592    HA3  GLY  80           HA1      GLY  80 -11.968   3.946   5.523
  593    H    ALA  81           HN       ALA  81 -11.243   3.520   2.750
  594    HA   ALA  81           HA       ALA  81 -13.114   5.336   1.579
  595    HB1  ALA  81           HB1      ALA  81 -10.735   3.944   0.349
  596    HB2  ALA  81           HB2      ALA  81 -10.707   5.507   1.160
  597    HB3  ALA  81           HB3      ALA  81 -11.616   5.308  -0.341
  598    H    LEU  82           HN       LEU  82 -12.075   2.020   0.828
  599    HA   LEU  82           HA       LEU  82 -13.854   1.600  -1.295
  600    HB2  LEU  82           HB2      LEU  82 -12.389  -0.300   0.497
  601    HB3  LEU  82           HB1      LEU  82 -13.499  -0.880  -0.718
  602    HG   LEU  82           HG       LEU  82 -10.938   0.678  -1.220
  603   HD11  LEU  82          HD11      LEU  82 -10.614  -1.640  -0.592
  604   HD12  LEU  82          HD12      LEU  82 -10.228  -1.362  -2.292
  605   HD13  LEU  82          HD13      LEU  82 -11.745  -2.145  -1.848
  606   HD21  LEU  82          HD21      LEU  82 -12.739   1.294  -2.796
  607   HD22  LEU  82          HD22      LEU  82 -12.957  -0.418  -3.179
  608   HD23  LEU  82          HD23      LEU  82 -11.432   0.392  -3.554
  609    H    ALA  83           HN       ALA  83 -14.300   1.370   2.126
  610    HA   ALA  83           HA       ALA  83 -16.624  -0.185   2.114
  611    HB1  ALA  83           HB1      ALA  83 -15.804   1.918   4.112
  612    HB2  ALA  83           HB2      ALA  83 -15.312   0.225   4.138
  613    HB3  ALA  83           HB3      ALA  83 -17.006   0.656   4.373
  614    H    GLU  84           HN       GLU  84 -16.137   2.911   0.897
  615    HA   GLU  84           HA       GLU  84 -19.033   3.344   0.843
  616    HB2  GLU  84           HB2      GLU  84 -16.893   5.451   1.050
  617    HB3  GLU  84           HB1      GLU  84 -18.599   5.777   0.780
  618    HG2  GLU  84           HG2      GLU  84 -19.120   4.725   2.939
  619    HG3  GLU  84           HG1      GLU  84 -17.397   4.482   3.211
  620    H    ALA  85           HN       ALA  85 -15.959   3.801  -0.857
  621    HA   ALA  85           HA       ALA  85 -17.176   4.820  -3.255
  622    HB1  ALA  85           HB1      ALA  85 -14.989   5.600  -2.463
  623    HB2  ALA  85           HB2      ALA  85 -14.905   4.942  -4.097
  624    HB3  ALA  85           HB3      ALA  85 -14.325   3.988  -2.737
  625    H    ALA  86           HN       ALA  86 -17.781   1.974  -2.389
  626    HA   ALA  86           HA       ALA  86 -17.383   0.843  -5.035
  627    HB1  ALA  86           HB1      ALA  86 -15.621  -0.164  -3.642
  628    HB2  ALA  86           HB2      ALA  86 -16.833  -1.363  -4.096
  629    HB3  ALA  86           HB3      ALA  86 -16.838  -0.675  -2.470
  630    H28  SXM  87          H28A      SXM  87   7.795  13.247  -0.786
  631   H28A  SXM  87          H28B      SXM  87   7.125  12.815  -2.368
  632    H30  SXM  87          H30A      SXM  87   5.012  10.918  -1.474
  633   H30A  SXM  87          H30B      SXM  87   4.783  12.234  -2.621
  634   H30B  SXM  87          H30C      SXM  87   3.709  12.081  -1.228
  635    H31  SXM  87          H31C      SXM  87   4.599  12.582   1.076
  636   H31A  SXM  87          H31A      SXM  87   6.293  13.026   1.276
  637   H31B  SXM  87          H31B      SXM  87   5.864  11.382   0.806
  638    H32  SXM  87          H32A      SXM  87   5.915  14.962  -0.316
  639   HO33  SXM  87          H33A      SXM  87   3.995  14.475   0.654
  640   HN36  SXM  87          H36A      SXM  87   3.298  15.163  -2.013
  641    H37  SXM  87          H37B      SXM  87   3.634  14.981  -4.726
  642   H37A  SXM  87          H37A      SXM  87   4.482  16.468  -4.297
  643    H38  SXM  87          H38A      SXM  87   1.575  15.875  -3.765
  644   H38A  SXM  87          H38B      SXM  87   2.437  17.313  -3.248
  645   HN41  SXM  87          H41A      SXM  87   0.518  18.107  -4.483
  646    H42  SXM  87          H42A      SXM  87   1.364  19.288  -6.915
  647   H42A  SXM  87          H42B      SXM  87   0.083  18.102  -7.170
  648    H43  SXM  87          H43A      SXM  87  -0.852  20.342  -6.857
  649   H43A  SXM  87          H43B      SXM  87  -0.050  20.448  -5.277
  650    H2   SXM  87           H2A      SXM  87  -3.526  16.901  -5.446
  651    H2A  SXM  87           H2B      SXM  87  -3.748  16.533  -7.160
  Start of MODEL   10
    1    H1   MET   1           HT1      MET   1 -22.384  -6.176   4.240
    2    H2   MET   1           HT2      MET   1 -22.337  -5.243   2.812
    3    H3   MET   1           HT3      MET   1 -21.527  -4.716   4.180
    4    HA   MET   1           HA       MET   1 -19.977  -6.448   4.052
    5    HB2  MET   1           HB2      MET   1 -21.415  -8.210   3.186
    6    HB3  MET   1           HB1      MET   1 -21.611  -7.349   1.669
    7    HG2  MET   1           HG2      MET   1 -20.066  -9.226   1.474
    8    HG3  MET   1           HG1      MET   1 -19.281  -7.687   1.133
    9    HE1  MET   1           HE1      MET   1 -16.920  -8.868   1.355
   10    HE2  MET   1           HE2      MET   1 -17.735 -10.395   1.696
   11    HE3  MET   1           HE3      MET   1 -16.441  -9.832   2.754
   12    H    ALA   2           HN       ALA   2 -18.500  -4.982   3.719
   13    HA   ALA   2           HA       ALA   2 -18.541  -3.313   1.341
   14    HB1  ALA   2           HB1      ALA   2 -16.704  -2.107   2.419
   15    HB2  ALA   2           HB2      ALA   2 -16.650  -3.320   3.695
   16    HB3  ALA   2           HB3      ALA   2 -18.071  -2.291   3.519
   17    H    THR   3           HN       THR   3 -16.980  -3.320  -0.248
   18    HA   THR   3           HA       THR   3 -15.535  -5.762  -0.673
   19    HB   THR   3           HB       THR   3 -14.961  -4.386  -2.782
   20    HG1  THR   3           HG1      THR   3 -15.421  -2.399  -1.850
   21   HG21  THR   3          HG21      THR   3 -16.711  -6.128  -2.742
   22   HG22  THR   3          HG22      THR   3 -17.198  -4.763  -3.748
   23   HG23  THR   3          HG23      THR   3 -17.868  -4.948  -2.127
   24    H    LEU   4           HN       LEU   4 -13.606  -5.871   0.468
   25    HA   LEU   4           HA       LEU   4 -11.985  -3.414   0.700
   26    HB2  LEU   4           HB2      LEU   4 -11.768  -5.952   2.312
   27    HB3  LEU   4           HB1      LEU   4 -10.869  -4.476   2.573
   28    HG   LEU   4           HG       LEU   4 -13.812  -4.857   2.934
   29   HD11  LEU   4          HD11      LEU   4 -12.524  -5.957   4.652
   30   HD12  LEU   4          HD12      LEU   4 -13.330  -4.534   5.317
   31   HD13  LEU   4          HD13      LEU   4 -11.608  -4.478   4.944
   32   HD21  LEU   4          HD21      LEU   4 -12.113  -2.417   3.447
   33   HD22  LEU   4          HD22      LEU   4 -13.808  -2.595   3.905
   34   HD23  LEU   4          HD23      LEU   4 -13.353  -2.591   2.202
   35    H    LEU   5           HN       LEU   5  -9.584  -3.959   0.869
   36    HA   LEU   5           HA       LEU   5  -8.834  -5.622  -1.386
   37    HB2  LEU   5           HB2      LEU   5  -7.319  -3.543   0.242
   38    HB3  LEU   5           HB1      LEU   5  -6.516  -4.660  -0.848
   39    HG   LEU   5           HG       LEU   5  -8.639  -2.693  -1.638
   40   HD11  LEU   5          HD11      LEU   5  -5.634  -2.585  -1.877
   41   HD12  LEU   5          HD12      LEU   5  -6.624  -1.627  -0.775
   42   HD13  LEU   5          HD13      LEU   5  -6.776  -1.395  -2.519
   43   HD21  LEU   5          HD21      LEU   5  -6.717  -4.385  -3.229
   44   HD22  LEU   5          HD22      LEU   5  -7.844  -3.198  -3.890
   45   HD23  LEU   5          HD23      LEU   5  -8.456  -4.646  -3.093
   46    H    THR   6           HN       THR   6  -7.978  -7.607  -1.119
   47    HA   THR   6           HA       THR   6  -7.722  -8.565   1.536
   48    HB   THR   6           HB       THR   6  -7.056 -10.696   0.344
   49    HG1  THR   6           HG1      THR   6  -6.633 -10.588  -1.656
   50   HG21  THR   6          HG21      THR   6  -9.318 -11.124  -0.536
   51   HG22  THR   6          HG22      THR   6  -9.647  -9.392  -0.514
   52   HG23  THR   6          HG23      THR   6  -9.383 -10.260   0.999
   53    H    THR   7           HN       THR   7  -5.713  -9.732   2.225
   54    HA   THR   7           HA       THR   7  -3.606  -7.845   1.964
   55    HB   THR   7           HB       THR   7  -3.557 -10.470   3.473
   56    HG1  THR   7           HG1      THR   7  -4.908  -8.076   3.816
   57   HG21  THR   7          HG21      THR   7  -1.372  -9.294   3.264
   58   HG22  THR   7          HG22      THR   7  -1.963  -9.274   4.923
   59   HG23  THR   7          HG23      THR   7  -2.114  -7.833   3.916
   60    H    ASP   8           HN       ASP   8  -4.379 -10.723   0.291
   61    HA   ASP   8           HA       ASP   8  -1.681 -11.362  -0.489
   62    HB2  ASP   8           HB2      ASP   8  -2.638 -13.015  -1.969
   63    HB3  ASP   8           HB1      ASP   8  -3.538 -13.072  -0.459
   64    H    ASP   9           HN       ASP   9  -4.250  -9.345  -1.614
   65    HA   ASP   9           HA       ASP   9  -3.190  -8.865  -4.248
   66    HB2  ASP   9           HB2      ASP   9  -5.629  -8.540  -3.510
   67    HB3  ASP   9           HB1      ASP   9  -5.086  -7.091  -2.678
   68    H    LEU  10           HN       LEU  10  -3.360  -7.158  -1.200
   69    HA   LEU  10           HA       LEU  10  -1.823  -4.913  -1.736
   70    HB2  LEU  10           HB2      LEU  10  -3.164  -5.210   0.295
   71    HB3  LEU  10           HB1      LEU  10  -2.075  -6.466   0.844
   72    HG   LEU  10           HG       LEU  10  -0.262  -4.764   0.994
   73   HD11  LEU  10          HD11      LEU  10  -2.479  -2.807   0.430
   74   HD12  LEU  10          HD12      LEU  10  -1.100  -3.154  -0.613
   75   HD13  LEU  10          HD13      LEU  10  -0.849  -2.398   0.962
   76   HD21  LEU  10          HD21      LEU  10  -1.115  -3.699   3.028
   77   HD22  LEU  10          HD22      LEU  10  -1.537  -5.410   2.964
   78   HD23  LEU  10          HD23      LEU  10  -2.753  -4.185   2.594
   79    H    ARG  11           HN       ARG  11  -0.805  -8.102  -0.499
   80    HA   ARG  11           HA       ARG  11   1.916  -7.613  -0.173
   81    HB2  ARG  11           HB2      ARG  11   0.775  -9.684   0.591
   82    HB3  ARG  11           HB1      ARG  11   0.623 -10.208  -1.078
   83    HG2  ARG  11           HG2      ARG  11   3.079 -10.253  -1.267
   84    HG3  ARG  11           HG1      ARG  11   3.203  -9.779   0.425
   85    HD2  ARG  11           HD2      ARG  11   1.916 -12.305  -0.617
   86    HD3  ARG  11           HD1      ARG  11   3.512 -12.192   0.118
   87    HE   ARG  11           HE       ARG  11   1.161 -11.377   1.672
   88   HH11  ARG  11          HH11      ARG  11   3.797 -13.718   1.183
   89   HH12  ARG  11          HH12      ARG  11   3.566 -14.471   2.700
   90   HH21  ARG  11          HH21      ARG  11   0.905 -12.413   3.732
   91   HH22  ARG  11          HH22      ARG  11   1.936 -13.716   4.175
   92    H    ARG  12           HN       ARG  12   0.304  -9.059  -2.993
   93    HA   ARG  12           HA       ARG  12   2.490  -9.292  -4.670
   94    HB2  ARG  12           HB2      ARG  12  -0.423  -8.941  -5.202
   95    HB3  ARG  12           HB1      ARG  12   0.713  -8.923  -6.540
   96    HG2  ARG  12           HG2      ARG  12   0.379 -11.168  -4.559
   97    HG3  ARG  12           HG1      ARG  12  -0.272 -11.128  -6.202
   98    HD2  ARG  12           HD2      ARG  12   2.665 -11.161  -5.406
   99    HD3  ARG  12           HD1      ARG  12   1.752 -12.394  -6.287
  100    HE   ARG  12           HE       ARG  12   1.534 -10.208  -7.847
  101   HH11  ARG  12          HH11      ARG  12   4.237 -12.050  -6.477
  102   HH12  ARG  12          HH12      ARG  12   5.378 -11.316  -7.490
  103   HH21  ARG  12          HH21      ARG  12   3.154  -9.281  -9.277
  104   HH22  ARG  12          HH22      ARG  12   4.799  -9.780  -9.080
  105    H    ALA  13           HN       ALA  13   0.288  -6.528  -4.445
  106    HA   ALA  13           HA       ALA  13   1.556  -5.081  -6.508
  107    HB1  ALA  13           HB1      ALA  13  -0.177  -4.014  -4.271
  108    HB2  ALA  13           HB2      ALA  13  -0.769  -4.642  -5.807
  109    HB3  ALA  13           HB3      ALA  13   0.212  -3.180  -5.775
  110    H    LEU  14           HN       LEU  14   1.956  -5.072  -3.006
  111    HA   LEU  14           HA       LEU  14   3.699  -2.856  -2.873
  112    HB2  LEU  14           HB2      LEU  14   2.472  -3.857  -0.953
  113    HB3  LEU  14           HB1      LEU  14   3.551  -5.236  -1.026
  114    HG   LEU  14           HG       LEU  14   5.452  -3.674  -0.601
  115   HD11  LEU  14          HD11      LEU  14   4.393  -1.640  -1.370
  116   HD12  LEU  14          HD12      LEU  14   4.955  -1.473   0.288
  117   HD13  LEU  14          HD13      LEU  14   3.238  -1.721  -0.040
  118   HD21  LEU  14          HD21      LEU  14   4.978  -3.447   1.795
  119   HD22  LEU  14          HD22      LEU  14   4.519  -5.029   1.170
  120   HD23  LEU  14          HD23      LEU  14   3.276  -3.813   1.488
  121    H    VAL  15           HN       VAL  15   4.235  -6.327  -3.088
  122    HA   VAL  15           HA       VAL  15   7.026  -6.392  -2.936
  123    HB   VAL  15           HB       VAL  15   5.104  -8.258  -4.364
  124   HG11  VAL  15          HG11      VAL  15   6.920  -9.907  -4.383
  125   HG12  VAL  15          HG12      VAL  15   8.029  -8.696  -3.742
  126   HG13  VAL  15          HG13      VAL  15   7.338  -8.492  -5.352
  127   HG21  VAL  15          HG21      VAL  15   4.813  -8.139  -1.957
  128   HG22  VAL  15          HG22      VAL  15   6.532  -8.461  -1.717
  129   HG23  VAL  15          HG23      VAL  15   5.491  -9.696  -2.424
  130    H    GLU  16           HN       GLU  16   4.928  -6.288  -5.823
  131    HA   GLU  16           HA       GLU  16   7.207  -6.305  -7.488
  132    HB2  GLU  16           HB2      GLU  16   5.753  -6.255  -9.340
  133    HB3  GLU  16           HB1      GLU  16   5.002  -7.235  -8.090
  134    HG2  GLU  16           HG2      GLU  16   3.499  -5.487  -7.533
  135    HG3  GLU  16           HG1      GLU  16   4.272  -4.412  -8.704
  136    H    SER  17           HN       SER  17   5.475  -3.730  -5.985
  137    HA   SER  17           HA       SER  17   6.541  -1.755  -7.797
  138    HB2  SER  17           HB2      SER  17   5.114  -1.384  -5.157
  139    HB3  SER  17           HB1      SER  17   5.408  -0.139  -6.372
  140    HG   SER  17           HG       SER  17   3.641  -2.259  -6.332
  141    H    ALA  18           HN       ALA  18   7.729  -3.527  -5.253
  142    HA   ALA  18           HA       ALA  18   9.377  -1.556  -3.974
  143    HB1  ALA  18           HB1      ALA  18  10.312  -3.423  -2.747
  144    HB2  ALA  18           HB2      ALA  18   9.572  -4.560  -3.869
  145    HB3  ALA  18           HB3      ALA  18   8.554  -3.579  -2.818
  146    H    GLY  19           HN       GLY  19   9.592  -2.779  -6.990
  147    HA2  GLY  19           HA2      GLY  19  12.183  -1.934  -7.425
  148    HA3  GLY  19           HA1      GLY  19  12.220  -3.683  -7.201
  149    H    GLU  20           HN       GLU  20  12.736  -4.144  -9.231
  150    HA   GLU  20           HA       GLU  20  10.991  -3.231 -11.395
  151    HB2  GLU  20           HB2      GLU  20  13.394  -2.922 -11.667
  152    HB3  GLU  20           HB1      GLU  20  13.663  -4.640 -11.422
  153    HG2  GLU  20           HG2      GLU  20  12.238  -5.039 -13.455
  154    HG3  GLU  20           HG1      GLU  20  12.300  -3.299 -13.737
  155    H    THR  21           HN       THR  21   9.232  -4.585 -11.065
  156    HA   THR  21           HA       THR  21   7.973  -6.429 -11.162
  157    HB   THR  21           HB       THR  21  10.331  -7.502 -12.710
  158    HG1  THR  21           HG1      THR  21   8.271  -5.721 -13.146
  159   HG21  THR  21          HG21      THR  21   7.410  -8.353 -12.746
  160   HG22  THR  21          HG22      THR  21   8.741  -9.297 -12.082
  161   HG23  THR  21          HG23      THR  21   8.666  -8.978 -13.814
  162    H    ASP  22           HN       ASP  22   8.090  -6.579  -9.049
  163    HA   ASP  22           HA       ASP  22   8.175  -7.587  -7.040
  164    HB2  ASP  22           HB2      ASP  22   9.369  -9.965  -8.542
  165    HB3  ASP  22           HB1      ASP  22   8.972  -9.955  -6.830
  166    H    GLY  23           HN       GLY  23   9.458  -6.062  -6.238
  167    HA2  GLY  23           HA2      GLY  23  12.299  -6.056  -6.590
  168    HA3  GLY  23           HA1      GLY  23  11.368  -5.019  -5.513
  169    H    THR  24           HN       THR  24  10.313  -6.394  -3.657
  170    HA   THR  24           HA       THR  24  12.049  -8.492  -2.756
  171    HB   THR  24           HB       THR  24  13.056  -6.433  -1.770
  172    HG1  THR  24           HG1      THR  24  13.404  -7.438   0.002
  173   HG21  THR  24          HG21      THR  24  11.075  -4.974  -1.695
  174   HG22  THR  24          HG22      THR  24  11.828  -5.086  -0.105
  175   HG23  THR  24          HG23      THR  24  10.359  -6.001  -0.453
  176    H    ASP  25           HN       ASP  25  10.826 -10.063  -1.963
  177    HA   ASP  25           HA       ASP  25   7.962  -9.600  -1.967
  178    HB2  ASP  25           HB2      ASP  25   9.055 -11.576  -3.085
  179    HB3  ASP  25           HB1      ASP  25   9.423 -12.190  -1.479
  180    H    LEU  26           HN       LEU  26   6.727  -9.431  -0.279
  181    HA   LEU  26           HA       LEU  26   7.937  -9.506   2.348
  182    HB2  LEU  26           HB2      LEU  26   5.266  -8.395   1.442
  183    HB3  LEU  26           HB1      LEU  26   5.796  -8.421   3.103
  184    HG   LEU  26           HG       LEU  26   6.071  -6.224   2.341
  185   HD11  LEU  26          HD11      LEU  26   8.456  -5.804   2.510
  186   HD12  LEU  26          HD12      LEU  26   8.757  -7.532   2.312
  187   HD13  LEU  26          HD13      LEU  26   7.861  -6.945   3.718
  188   HD21  LEU  26          HD21      LEU  26   5.978  -6.565  -0.065
  189   HD22  LEU  26          HD22      LEU  26   7.587  -7.282  -0.047
  190   HD23  LEU  26          HD23      LEU  26   7.376  -5.577   0.356
  191    H    SER  27           HN       SER  27   7.998 -11.754   1.975
  192    HA   SER  27           HA       SER  27   5.647 -13.327   2.134
  193    HB2  SER  27           HB2      SER  27   7.390 -15.166   2.591
  194    HB3  SER  27           HB1      SER  27   7.429 -14.332   1.033
  195    HG   SER  27           HG       SER  27   8.934 -13.075   2.974
  196    H    GLY  28           HN       GLY  28   4.537 -12.503   3.955
  197    HA2  GLY  28           HA2      GLY  28   4.278 -13.961   6.125
  198    HA3  GLY  28           HA1      GLY  28   5.678 -12.988   6.582
  199    H    ASP  29           HN       ASP  29   4.128 -12.215   8.276
  200    HA   ASP  29           HA       ASP  29   2.157 -10.369   7.272
  201    HB2  ASP  29           HB2      ASP  29   1.636  -9.766   9.570
  202    HB3  ASP  29           HB1      ASP  29   1.785 -11.510   9.489
  203    H    PHE  30           HN       PHE  30   2.546  -8.492   6.578
  204    HA   PHE  30           HA       PHE  30   5.110  -7.241   7.275
  205    HB2  PHE  30           HB2      PHE  30   5.073  -6.270   4.987
  206    HB3  PHE  30           HB1      PHE  30   5.157  -8.029   5.001
  207    HD1  PHE  30           HD2      PHE  30   3.230  -9.370   4.273
  208    HD2  PHE  30           HD1      PHE  30   3.147  -5.121   4.101
  209    HE1  PHE  30           HE2      PHE  30   1.280  -9.471   2.790
  210    HE2  PHE  30           HE1      PHE  30   1.194  -5.219   2.614
  211    HZ   PHE  30           HZ       PHE  30   0.257  -7.393   1.957
  212    H    LEU  31           HN       LEU  31   2.188  -6.920   8.246
  213    HA   LEU  31           HA       LEU  31   1.412  -4.353   7.270
  214    HB2  LEU  31           HB2      LEU  31   0.332  -5.989   9.565
  215    HB3  LEU  31           HB1      LEU  31  -0.342  -4.457   9.066
  216    HG   LEU  31           HG       LEU  31  -1.744  -6.142   8.213
  217   HD11  LEU  31          HD11      LEU  31  -1.646  -5.841   5.797
  218   HD12  LEU  31          HD12      LEU  31  -0.033  -5.148   5.962
  219   HD13  LEU  31          HD13      LEU  31  -1.422  -4.335   6.690
  220   HD21  LEU  31          HD21      LEU  31  -0.991  -7.982   6.750
  221   HD22  LEU  31          HD22      LEU  31  -0.265  -8.077   8.355
  222   HD23  LEU  31          HD23      LEU  31   0.681  -7.476   6.997
  223    H    ASP  32           HN       ASP  32   3.133  -5.521  10.031
  224    HA   ASP  32           HA       ASP  32   3.268  -2.845  11.236
  225    HB2  ASP  32           HB2      ASP  32   4.346  -5.501  12.202
  226    HB3  ASP  32           HB1      ASP  32   4.580  -3.976  13.045
  227    H    LEU  33           HN       LEU  33   4.941  -4.593   8.960
  228    HA   LEU  33           HA       LEU  33   7.605  -3.920   9.698
  229    HB2  LEU  33           HB2      LEU  33   6.790  -5.965   8.383
  230    HB3  LEU  33           HB1      LEU  33   6.498  -4.861   7.059
  231    HG   LEU  33           HG       LEU  33   8.793  -4.353   6.877
  232   HD11  LEU  33          HD11      LEU  33   9.192  -6.333   9.144
  233   HD12  LEU  33          HD12      LEU  33   9.482  -4.594   9.229
  234   HD13  LEU  33          HD13      LEU  33  10.490  -5.606   8.196
  235   HD21  LEU  33          HD21      LEU  33   9.576  -6.557   6.110
  236   HD22  LEU  33          HD22      LEU  33   7.908  -6.231   5.634
  237   HD23  LEU  33          HD23      LEU  33   8.243  -7.314   6.986
  238    H    ARG  34           HN       ARG  34   8.366  -1.963   9.432
  239    HA   ARG  34           HA       ARG  34   6.725   0.010   8.136
  240    HB2  ARG  34           HB2      ARG  34   9.335   0.352   9.588
  241    HB3  ARG  34           HB1      ARG  34   8.273   1.652   9.059
  242    HG2  ARG  34           HG2      ARG  34   6.500   0.759  10.511
  243    HG3  ARG  34           HG1      ARG  34   7.622  -0.475  11.086
  244    HD2  ARG  34           HD2      ARG  34   7.562   1.316  12.669
  245    HD3  ARG  34           HD1      ARG  34   9.124   1.334  11.851
  246    HE   ARG  34           HE       ARG  34   6.975   3.073  10.881
  247   HH11  ARG  34          HH11      ARG  34  10.167   2.737  12.390
  248   HH12  ARG  34          HH12      ARG  34  10.512   4.412  12.378
  249   HH21  ARG  34          HH21      ARG  34   7.430   5.352  10.865
  250   HH22  ARG  34          HH22      ARG  34   8.884   5.963  11.476
  251    H    PHE  35           HN       PHE  35   7.161   1.266   6.483
  252    HA   PHE  35           HA       PHE  35   8.557   0.168   4.367
  253    HB2  PHE  35           HB2      PHE  35   7.351   2.877   4.756
  254    HB3  PHE  35           HB1      PHE  35   8.149   2.446   3.249
  255    HD1  PHE  35           HD2      PHE  35   7.412  -0.173   2.664
  256    HD2  PHE  35           HD1      PHE  35   5.074   2.804   4.542
  257    HE1  PHE  35           HE2      PHE  35   5.381  -1.318   1.923
  258    HE2  PHE  35           HE1      PHE  35   3.026   1.667   3.810
  259    HZ   PHE  35           HZ       PHE  35   3.177  -0.398   2.493
  260    H    GLU  36           HN       GLU  36   9.576   2.890   6.411
  261    HA   GLU  36           HA       GLU  36  11.929   3.340   4.982
  262    HB2  GLU  36           HB2      GLU  36  12.802   4.476   6.991
  263    HB3  GLU  36           HB1      GLU  36  11.195   5.007   6.535
  264    HG2  GLU  36           HG2      GLU  36  10.227   3.712   8.332
  265    HG3  GLU  36           HG1      GLU  36  11.816   3.067   8.752
  266    H    ASP  37           HN       ASP  37  11.171   0.785   7.138
  267    HA   ASP  37           HA       ASP  37  13.920   0.126   7.661
  268    HB2  ASP  37           HB2      ASP  37  12.277  -0.471   9.352
  269    HB3  ASP  37           HB1      ASP  37  11.394  -1.452   8.185
  270    H    ILE  38           HN       ILE  38  11.354  -1.017   5.501
  271    HA   ILE  38           HA       ILE  38  13.100  -3.061   4.439
  272    HB   ILE  38           HB       ILE  38  11.251  -3.670   2.905
  273   HG12  ILE  38          HG12      ILE  38   9.701  -1.466   4.300
  274   HG13  ILE  38          HG11      ILE  38  10.251  -1.445   2.628
  275   HG21  ILE  38          HG21      ILE  38   9.699  -4.480   4.656
  276   HG22  ILE  38          HG22      ILE  38  10.473  -3.402   5.805
  277   HG23  ILE  38          HG23      ILE  38  11.393  -4.719   5.082
  278   HD11  ILE  38          HD11      ILE  38   7.874  -2.012   2.785
  279   HD12  ILE  38          HD12      ILE  38   8.280  -3.401   3.792
  280   HD13  ILE  38          HD13      ILE  38   8.818  -3.340   2.116
  281    H    GLY  39           HN       GLY  39  13.574  -0.140   4.091
  282    HA2  GLY  39           HA2      GLY  39  14.670   1.165   2.534
  283    HA3  GLY  39           HA1      GLY  39  14.842  -0.295   1.562
  284    H    TYR  40           HN       TYR  40  11.903   1.305   2.654
  285    HA   TYR  40           HA       TYR  40  11.100   1.498  -0.146
  286    HB2  TYR  40           HB2      TYR  40   9.824   0.415   2.082
  287    HB3  TYR  40           HB1      TYR  40   9.061   1.977   1.821
  288    HD1  TYR  40           HD1      TYR  40  10.023  -1.094   0.106
  289    HD2  TYR  40           HD2      TYR  40   7.353   2.210   0.216
  290    HE1  TYR  40           HE1      TYR  40   8.712  -2.110  -1.685
  291    HE2  TYR  40           HE2      TYR  40   6.039   1.214  -1.594
  292    HH   TYR  40           HH       TYR  40   6.418  -1.994  -2.643
  293    H    ASP  41           HN       ASP  41  11.210   3.424  -0.925
  294    HA   ASP  41           HA       ASP  41  10.927   5.745   0.825
  295    HB2  ASP  41           HB2      ASP  41  11.878   5.429  -1.996
  296    HB3  ASP  41           HB1      ASP  41  11.241   6.978  -1.471
  297    H    SER  42           HN       SER  42   9.588   7.517  -0.037
  298    HA   SER  42           HA       SER  42   6.955   6.689  -0.270
  299    HB2  SER  42           HB2      SER  42   6.678   9.165  -0.877
  300    HB3  SER  42           HB1      SER  42   7.317   8.767   0.723
  301    H    LEU  43           HN       LEU  43   9.376   7.219  -2.679
  302    HA   LEU  43           HA       LEU  43   7.772   7.727  -4.929
  303    HB2  LEU  43           HB2      LEU  43  10.350   7.764  -4.704
  304    HB3  LEU  43           HB1      LEU  43  10.289   6.041  -4.945
  305    HG   LEU  43           HG       LEU  43   9.415   8.119  -6.975
  306   HD11  LEU  43          HD11      LEU  43  11.430   7.470  -8.191
  307   HD12  LEU  43          HD12      LEU  43  11.895   6.424  -6.851
  308   HD13  LEU  43          HD13      LEU  43  11.796   8.169  -6.615
  309   HD21  LEU  43          HD21      LEU  43   9.364   6.263  -8.590
  310   HD22  LEU  43          HD22      LEU  43   8.216   5.980  -7.280
  311   HD23  LEU  43          HD23      LEU  43   9.756   5.124  -7.301
  312    H    ALA  44           HN       ALA  44   9.121   4.592  -3.821
  313    HA   ALA  44           HA       ALA  44   7.462   3.036  -5.506
  314    HB1  ALA  44           HB1      ALA  44   9.588   2.200  -4.594
  315    HB2  ALA  44           HB2      ALA  44   8.251   1.114  -4.232
  316    HB3  ALA  44           HB3      ALA  44   8.881   2.181  -2.978
  317    H    LEU  45           HN       LEU  45   7.009   4.388  -2.351
  318    HA   LEU  45           HA       LEU  45   4.797   2.788  -1.639
  319    HB2  LEU  45           HB2      LEU  45   6.080   4.031   0.027
  320    HB3  LEU  45           HB1      LEU  45   5.579   5.544  -0.691
  321    HG   LEU  45           HG       LEU  45   3.311   5.229   0.067
  322   HD11  LEU  45          HD11      LEU  45   3.158   2.800  -0.244
  323   HD12  LEU  45          HD12      LEU  45   2.650   3.273   1.378
  324   HD13  LEU  45          HD13      LEU  45   4.243   2.558   1.125
  325   HD21  LEU  45          HD21      LEU  45   3.667   5.211   2.471
  326   HD22  LEU  45          HD22      LEU  45   4.899   6.177   1.655
  327   HD23  LEU  45          HD23      LEU  45   5.287   4.555   2.241
  328    H    MET  46           HN       MET  46   5.037   5.973  -3.198
  329    HA   MET  46           HA       MET  46   2.301   6.462  -3.643
  330    HB2  MET  46           HB2      MET  46   4.677   7.125  -5.380
  331    HB3  MET  46           HB1      MET  46   3.058   7.727  -5.657
  332    HG2  MET  46           HG2      MET  46   4.780   8.264  -3.275
  333    HG3  MET  46           HG1      MET  46   4.509   9.292  -4.689
  334    HE1  MET  46           HE1      MET  46   1.357   8.816  -5.177
  335    HE2  MET  46           HE2      MET  46   2.092  10.419  -5.228
  336    HE3  MET  46           HE3      MET  46   0.648  10.144  -4.256
  337    H    GLU  47           HN       GLU  47   4.727   4.889  -5.571
  338    HA   GLU  47           HA       GLU  47   3.427   4.096  -7.827
  339    HB2  GLU  47           HB2      GLU  47   5.742   3.889  -7.356
  340    HB3  GLU  47           HB1      GLU  47   5.453   2.724  -6.100
  341    HG2  GLU  47           HG2      GLU  47   6.292   1.527  -8.005
  342    HG3  GLU  47           HG1      GLU  47   4.617   1.092  -7.728
  343    H    THR  48           HN       THR  48   3.629   2.252  -4.796
  344    HA   THR  48           HA       THR  48   1.861   0.183  -5.480
  345    HB   THR  48           HB       THR  48   2.515   1.311  -2.737
  346    HG1  THR  48           HG1      THR  48   4.482   0.691  -3.597
  347   HG21  THR  48          HG21      THR  48   2.019  -0.969  -1.951
  348   HG22  THR  48          HG22      THR  48   1.592  -1.445  -3.595
  349   HG23  THR  48          HG23      THR  48   0.609  -0.255  -2.738
  350    H    ALA  49           HN       ALA  49   1.341   3.061  -3.411
  351    HA   ALA  49           HA       ALA  49  -1.324   2.681  -2.776
  352    HB1  ALA  49           HB1      ALA  49   0.164   4.248  -1.629
  353    HB2  ALA  49           HB2      ALA  49  -1.355   5.009  -2.114
  354    HB3  ALA  49           HB3      ALA  49   0.117   5.309  -3.037
  355    H    ALA  50           HN       ALA  50  -0.021   4.777  -5.348
  356    HA   ALA  50           HA       ALA  50  -2.450   5.851  -6.201
  357    HB1  ALA  50           HB1      ALA  50  -0.261   6.806  -6.746
  358    HB2  ALA  50           HB2      ALA  50  -1.251   6.563  -8.184
  359    HB3  ALA  50           HB3      ALA  50   0.061   5.441  -7.815
  360    H    ARG  51           HN       ARG  51  -0.740   2.997  -7.217
  361    HA   ARG  51           HA       ARG  51  -2.295   2.332  -9.467
  362    HB2  ARG  51           HB2      ARG  51  -0.127   1.322  -9.010
  363    HB3  ARG  51           HB1      ARG  51  -0.760   0.583  -7.553
  364    HG2  ARG  51           HG2      ARG  51  -2.270  -0.784  -8.916
  365    HG3  ARG  51           HG1      ARG  51  -1.579  -0.055 -10.376
  366    HD2  ARG  51           HD2      ARG  51   0.601  -0.887  -9.793
  367    HD3  ARG  51           HD1      ARG  51  -0.020  -1.528  -8.276
  368    HE   ARG  51           HE       ARG  51  -1.340  -2.565 -10.599
  369   HH11  ARG  51          HH11      ARG  51   1.362  -2.925  -8.350
  370   HH12  ARG  51          HH12      ARG  51   1.616  -4.583  -8.785
  371   HH21  ARG  51          HH21      ARG  51  -0.839  -4.847 -11.198
  372   HH22  ARG  51          HH22      ARG  51   0.441  -5.623 -10.340
  373    H    LEU  52           HN       LEU  52  -2.469   1.361  -6.078
  374    HA   LEU  52           HA       LEU  52  -4.754  -0.272  -6.400
  375    HB2  LEU  52           HB2      LEU  52  -3.576   0.986  -3.932
  376    HB3  LEU  52           HB1      LEU  52  -4.890  -0.170  -3.912
  377    HG   LEU  52           HG       LEU  52  -2.091  -0.713  -4.902
  378   HD11  LEU  52          HD11      LEU  52  -1.913  -2.140  -2.927
  379   HD12  LEU  52          HD12      LEU  52  -3.514  -1.614  -2.403
  380   HD13  LEU  52          HD13      LEU  52  -2.186  -0.455  -2.488
  381   HD21  LEU  52          HD21      LEU  52  -4.455  -2.569  -4.583
  382   HD22  LEU  52          HD22      LEU  52  -2.821  -3.051  -5.038
  383   HD23  LEU  52          HD23      LEU  52  -3.767  -2.022  -6.109
  384    H    GLU  53           HN       GLU  53  -4.297   3.111  -5.484
  385    HA   GLU  53           HA       GLU  53  -6.871   3.722  -4.699
  386    HB2  GLU  53           HB2      GLU  53  -5.094   5.540  -6.321
  387    HB3  GLU  53           HB1      GLU  53  -6.578   5.909  -5.461
  388    HG2  GLU  53           HG2      GLU  53  -5.593   5.685  -3.397
  389    HG3  GLU  53           HG1      GLU  53  -4.106   5.013  -4.077
  390    H    SER  54           HN       SER  54  -5.403   4.286  -7.878
  391    HA   SER  54           HA       SER  54  -7.770   5.158  -9.076
  392    HB2  SER  54           HB2      SER  54  -5.240   4.163 -10.365
  393    HB3  SER  54           HB1      SER  54  -6.466   5.200 -11.104
  394    HG   SER  54           HG       SER  54  -5.978   6.811  -9.623
  395    H    ARG  55           HN       ARG  55  -6.395   2.008  -8.676
  396    HA   ARG  55           HA       ARG  55  -7.764   0.648 -10.728
  397    HB2  ARG  55           HB2      ARG  55  -5.834  -0.265  -9.443
  398    HB3  ARG  55           HB1      ARG  55  -6.862  -0.396  -8.031
  399    HG2  ARG  55           HG2      ARG  55  -8.248  -2.038  -9.194
  400    HG3  ARG  55           HG1      ARG  55  -7.214  -1.899 -10.618
  401    HD2  ARG  55           HD2      ARG  55  -5.291  -2.661  -9.270
  402    HD3  ARG  55           HD1      ARG  55  -6.354  -2.834  -7.874
  403    HE   ARG  55           HE       ARG  55  -7.048  -4.295 -10.286
  404   HH11  ARG  55          HH11      ARG  55  -5.592  -4.460  -7.016
  405   HH12  ARG  55          HH12      ARG  55  -5.753  -6.117  -6.850
  406   HH21  ARG  55          HH21      ARG  55  -7.231  -6.640 -10.067
  407   HH22  ARG  55          HH22      ARG  55  -6.640  -7.413  -8.658
  408    H    TYR  56           HN       TYR  56  -8.717   1.709  -7.518
  409    HA   TYR  56           HA       TYR  56 -11.334   0.495  -7.992
  410    HB2  TYR  56           HB2      TYR  56  -9.907   0.897  -5.377
  411    HB3  TYR  56           HB1      TYR  56 -11.600   0.418  -5.513
  412    HD1  TYR  56           HD1      TYR  56 -12.187  -1.752  -6.548
  413    HD2  TYR  56           HD2      TYR  56  -8.151  -0.678  -5.749
  414    HE1  TYR  56           HE1      TYR  56 -11.517  -4.097  -6.819
  415    HE2  TYR  56           HE2      TYR  56  -7.468  -3.019  -6.020
  416    HH   TYR  56           HH       TYR  56  -9.441  -5.318  -7.442
  417    H    GLY  57           HN       GLY  57  -9.961   3.337  -8.211
  418    HA2  GLY  57           HA2      GLY  57 -10.931   5.395  -8.547
  419    HA3  GLY  57           HA1      GLY  57 -12.477   4.682  -8.134
  420    H    VAL  58           HN       VAL  58  -9.809   4.519  -5.892
  421    HA   VAL  58           HA       VAL  58 -11.345   6.320  -4.186
  422    HB   VAL  58           HB       VAL  58 -10.160   5.494  -2.239
  423   HG11  VAL  58          HG11      VAL  58 -12.018   4.128  -2.988
  424   HG12  VAL  58          HG12      VAL  58 -10.728   3.137  -2.271
  425   HG13  VAL  58          HG13      VAL  58 -10.904   3.216  -4.020
  426   HG21  VAL  58          HG21      VAL  58  -8.558   3.797  -4.101
  427   HG22  VAL  58          HG22      VAL  58  -8.424   3.810  -2.335
  428   HG23  VAL  58          HG23      VAL  58  -7.937   5.229  -3.278
  429    H    SER  59           HN       SER  59  -9.789   7.631  -2.597
  430    HA   SER  59           HA       SER  59  -7.571   8.694  -4.174
  431    HB2  SER  59           HB2      SER  59  -9.788  10.411  -3.049
  432    HB3  SER  59           HB1      SER  59  -8.345  10.997  -3.878
  433    HG   SER  59           HG       SER  59  -9.426   9.192  -5.446
  434    H    ILE  60           HN       ILE  60  -5.886   8.573  -2.924
  435    HA   ILE  60           HA       ILE  60  -6.068   9.381  -0.105
  436    HB   ILE  60           HB       ILE  60  -4.164   7.411  -1.443
  437   HG12  ILE  60          HG12      ILE  60  -6.264   6.995   0.701
  438   HG13  ILE  60          HG11      ILE  60  -6.432   6.552  -0.989
  439   HG21  ILE  60          HG21      ILE  60  -3.161   7.061   0.790
  440   HG22  ILE  60          HG22      ILE  60  -4.191   8.327   1.448
  441   HG23  ILE  60          HG23      ILE  60  -2.965   8.725   0.248
  442   HD11  ILE  60          HD11      ILE  60  -4.625   4.935  -0.740
  443   HD12  ILE  60          HD12      ILE  60  -5.944   4.646   0.400
  444   HD13  ILE  60          HD13      ILE  60  -4.453   5.401   0.957
  445    HA   PRO  61           HA       PRO  61  -3.882  12.858  -1.895
  446    HB2  PRO  61           HB2      PRO  61  -3.488  13.532   0.973
  447    HB3  PRO  61           HB1      PRO  61  -4.190  14.506  -0.321
  448    HG2  PRO  61           HG2      PRO  61  -5.755  13.429   1.532
  449    HG3  PRO  61           HG1      PRO  61  -6.263  13.463  -0.167
  450    HD2  PRO  61           HD2      PRO  61  -5.116  11.202   1.425
  451    HD3  PRO  61           HD1      PRO  61  -6.473  11.179   0.281
  452    H    ASP  62           HN       ASP  62  -1.776  13.544  -2.107
  453    HA   ASP  62           HA       ASP  62   0.233  11.643  -2.026
  454    HB2  ASP  62           HB2      ASP  62   0.524  14.645  -2.179
  455    HB3  ASP  62           HB1      ASP  62   1.830  13.510  -2.462
  456    H    ASP  63           HN       ASP  63  -0.225  14.350   0.214
  457    HA   ASP  63           HA       ASP  63   2.119  13.891   1.722
  458    HB2  ASP  63           HB2      ASP  63  -0.462  15.253   2.507
  459    HB3  ASP  63           HB1      ASP  63   0.932  15.162   3.567
  460    H    VAL  64           HN       VAL  64  -1.146  12.750   2.094
  461    HA   VAL  64           HA       VAL  64  -0.765  11.321   4.524
  462    HB   VAL  64           HB       VAL  64  -2.771  10.737   2.315
  463   HG11  VAL  64          HG11      VAL  64  -2.595   8.930   3.927
  464   HG12  VAL  64          HG12      VAL  64  -4.141   9.762   4.101
  465   HG13  VAL  64          HG13      VAL  64  -2.840  10.069   5.253
  466   HG21  VAL  64          HG21      VAL  64  -3.056  12.560   4.700
  467   HG22  VAL  64          HG22      VAL  64  -4.342  12.140   3.570
  468   HG23  VAL  64          HG23      VAL  64  -2.946  13.062   3.015
  469    H    ALA  65           HN       ALA  65  -0.774  10.337   1.116
  470    HA   ALA  65           HA       ALA  65  -0.217   7.622   1.411
  471    HB1  ALA  65           HB1      ALA  65   0.532   7.668  -0.895
  472    HB2  ALA  65           HB2      ALA  65   0.675   9.420  -0.835
  473    HB3  ALA  65           HB3      ALA  65  -0.917   8.660  -0.709
  474    H    GLY  66           HN       GLY  66   1.997  10.362   1.264
  475    HA2  GLY  66           HA2      GLY  66   4.334   8.713   1.317
  476    HA3  GLY  66           HA1      GLY  66   4.283  10.449   1.591
  477    H    ARG  67           HN       ARG  67   2.123   9.544   3.749
  478    HA   ARG  67           HA       ARG  67   4.179   9.268   5.814
  479    HB2  ARG  67           HB2      ARG  67   1.429  10.475   6.013
  480    HB3  ARG  67           HB1      ARG  67   2.480  10.199   7.395
  481    HG2  ARG  67           HG2      ARG  67   3.062  11.967   5.034
  482    HG3  ARG  67           HG1      ARG  67   2.653  12.486   6.675
  483    HD2  ARG  67           HD2      ARG  67   4.656  11.519   7.542
  484    HD3  ARG  67           HD1      ARG  67   5.033  10.798   5.977
  485    HE   ARG  67           HE       ARG  67   5.008  13.315   5.291
  486   HH11  ARG  67          HH11      ARG  67   6.366  11.918   8.273
  487   HH12  ARG  67          HH12      ARG  67   7.679  12.992   8.339
  488   HH21  ARG  67          HH21      ARG  67   6.810  14.805   5.401
  489   HH22  ARG  67          HH22      ARG  67   7.874  14.755   6.730
  490    H    VAL  68           HN       VAL  68   2.128   7.290   4.283
  491    HA   VAL  68           HA       VAL  68   1.377   5.861   6.670
  492    HB   VAL  68           HB       VAL  68   0.405   4.120   5.088
  493   HG11  VAL  68          HG11      VAL  68  -0.557   6.957   4.824
  494   HG12  VAL  68          HG12      VAL  68  -0.948   5.829   6.124
  495   HG13  VAL  68          HG13      VAL  68  -1.508   5.514   4.481
  496   HG21  VAL  68          HG21      VAL  68   0.026   4.804   2.740
  497   HG22  VAL  68          HG22      VAL  68   1.751   4.615   3.074
  498   HG23  VAL  68          HG23      VAL  68   1.035   6.219   2.994
  499    H    ASP  69           HN       ASP  69   3.457   5.576   7.484
  500    HA   ASP  69           HA       ASP  69   5.546   4.311   6.118
  501    HB2  ASP  69           HB2      ASP  69   6.632   4.148   8.241
  502    HB3  ASP  69           HB1      ASP  69   5.909   5.748   8.076
  503    H    THR  70           HN       THR  70   2.750   2.960   7.319
  504    HA   THR  70           HA       THR  70   3.996   0.337   7.341
  505    HB   THR  70           HB       THR  70   2.209  -0.210   9.119
  506    HG1  THR  70           HG1      THR  70   0.962   1.458   9.611
  507   HG21  THR  70          HG21      THR  70   4.463   1.701   9.727
  508   HG22  THR  70          HG22      THR  70   4.601  -0.058   9.636
  509   HG23  THR  70          HG23      THR  70   3.656   0.693  10.931
  510    HA   PRO  71           HA       PRO  71   1.120  -0.586   4.097
  511    HB2  PRO  71           HB2      PRO  71   1.216  -3.344   5.203
  512    HB3  PRO  71           HB1      PRO  71   1.553  -2.775   3.560
  513    HG2  PRO  71           HG2      PRO  71   3.545  -3.479   5.141
  514    HG3  PRO  71           HG1      PRO  71   3.687  -2.033   4.121
  515    HD2  PRO  71           HD2      PRO  71   3.087  -2.225   7.054
  516    HD3  PRO  71           HD1      PRO  71   4.176  -1.111   6.197
  517    H    ARG  72           HN       ARG  72   0.448  -1.601   7.386
  518    HA   ARG  72           HA       ARG  72  -2.214  -2.451   7.042
  519    HB2  ARG  72           HB2      ARG  72  -1.001  -2.902   9.110
  520    HB3  ARG  72           HB1      ARG  72  -0.891  -1.181   9.445
  521    HG2  ARG  72           HG2      ARG  72  -3.312  -1.060   9.725
  522    HG3  ARG  72           HG1      ARG  72  -3.447  -2.777   9.342
  523    HD2  ARG  72           HD2      ARG  72  -1.892  -1.633  11.654
  524    HD3  ARG  72           HD1      ARG  72  -3.519  -2.302  11.765
  525    HE   ARG  72           HE       ARG  72  -2.558  -4.420  10.973
  526   HH11  ARG  72          HH11      ARG  72  -0.332  -2.061  12.451
  527   HH12  ARG  72          HH12      ARG  72   0.682  -3.278  13.105
  528   HH21  ARG  72          HH21      ARG  72  -1.092  -6.041  11.893
  529   HH22  ARG  72          HH22      ARG  72   0.301  -5.507  12.733
  530    H    GLU  73           HN       GLU  73  -0.810   0.687   7.704
  531    HA   GLU  73           HA       GLU  73  -3.209   2.114   7.924
  532    HB2  GLU  73           HB2      GLU  73  -0.337   2.809   7.528
  533    HB3  GLU  73           HB1      GLU  73  -1.541   4.063   7.292
  534    HG2  GLU  73           HG2      GLU  73  -0.452   3.916   9.575
  535    HG3  GLU  73           HG1      GLU  73  -2.206   4.006   9.533
  536    H    LEU  74           HN       LEU  74  -1.081   1.491   5.164
  537    HA   LEU  74           HA       LEU  74  -2.451   3.102   3.283
  538    HB2  LEU  74           HB2      LEU  74  -0.151   1.830   3.037
  539    HB3  LEU  74           HB1      LEU  74  -1.174   0.473   2.592
  540    HG   LEU  74           HG       LEU  74  -0.095   1.691   0.680
  541   HD11  LEU  74          HD11      LEU  74  -1.963   0.206   0.292
  542   HD12  LEU  74          HD12      LEU  74  -2.053   1.610  -0.773
  543   HD13  LEU  74          HD13      LEU  74  -3.096   1.510   0.647
  544   HD21  LEU  74          HD21      LEU  74  -1.174   3.756  -0.093
  545   HD22  LEU  74          HD22      LEU  74  -0.355   3.958   1.455
  546   HD23  LEU  74          HD23      LEU  74  -2.112   3.807   1.401
  547    H    LEU  75           HN       LEU  75  -2.767  -0.330   4.113
  548    HA   LEU  75           HA       LEU  75  -4.953  -0.885   2.444
  549    HB2  LEU  75           HB2      LEU  75  -3.671  -2.704   3.308
  550    HB3  LEU  75           HB1      LEU  75  -3.965  -2.216   4.962
  551    HG   LEU  75           HG       LEU  75  -6.327  -2.883   4.746
  552   HD11  LEU  75          HD11      LEU  75  -7.137  -4.119   2.823
  553   HD12  LEU  75          HD12      LEU  75  -5.607  -3.864   1.985
  554   HD13  LEU  75          HD13      LEU  75  -6.655  -2.493   2.364
  555   HD21  LEU  75          HD21      LEU  75  -5.972  -5.302   4.639
  556   HD22  LEU  75          HD22      LEU  75  -4.707  -4.499   5.574
  557   HD23  LEU  75          HD23      LEU  75  -4.382  -5.033   3.926
  558    H    ASP  76           HN       ASP  76  -4.757   0.479   5.654
  559    HA   ASP  76           HA       ASP  76  -7.534   0.130   6.221
  560    HB2  ASP  76           HB2      ASP  76  -5.898   0.269   8.040
  561    HB3  ASP  76           HB1      ASP  76  -5.529   1.929   7.585
  562    H    LEU  77           HN       LEU  77  -5.579   2.762   4.998
  563    HA   LEU  77           HA       LEU  77  -7.547   4.743   4.935
  564    HB2  LEU  77           HB2      LEU  77  -5.317   4.225   2.977
  565    HB3  LEU  77           HB1      LEU  77  -6.304   5.665   2.986
  566    HG   LEU  77           HG       LEU  77  -4.351   4.809   5.128
  567   HD11  LEU  77          HD11      LEU  77  -3.141   6.784   4.413
  568   HD12  LEU  77          HD12      LEU  77  -4.344   7.075   3.159
  569   HD13  LEU  77          HD13      LEU  77  -3.333   5.632   3.092
  570   HD21  LEU  77          HD21      LEU  77  -6.085   7.274   4.956
  571   HD22  LEU  77          HD22      LEU  77  -4.857   6.950   6.179
  572   HD23  LEU  77          HD23      LEU  77  -6.305   5.945   6.093
  573    H    ILE  78           HN       ILE  78  -6.654   2.342   2.492
  574    HA   ILE  78           HA       ILE  78  -8.799   3.095   0.762
  575    HB   ILE  78           HB       ILE  78  -7.346   0.440   0.657
  576   HG12  ILE  78          HG12      ILE  78  -6.507   3.087  -0.532
  577   HG13  ILE  78          HG11      ILE  78  -5.641   2.155   0.685
  578   HG21  ILE  78          HG21      ILE  78  -9.301   0.604  -0.760
  579   HG22  ILE  78          HG22      ILE  78  -7.846   0.606  -1.757
  580   HG23  ILE  78          HG23      ILE  78  -8.714   2.114  -1.457
  581   HD11  ILE  78          HD11      ILE  78  -6.090   1.494  -2.187
  582   HD12  ILE  78          HD12      ILE  78  -5.512   0.320  -1.005
  583   HD13  ILE  78          HD13      ILE  78  -4.530   1.763  -1.367
  584    H    ASN  79           HN       ASN  79  -8.436   0.965   3.410
  585    HA   ASN  79           HA       ASN  79 -10.560  -0.846   3.012
  586    HB2  ASN  79           HB2      ASN  79  -8.656  -0.403   4.958
  587    HB3  ASN  79           HB1      ASN  79 -10.141   0.034   5.786
  588   HD21  ASN  79          HD21      ASN  79  -8.362  -2.463   4.235
  589   HD22  ASN  79          HD22      ASN  79  -9.242  -3.810   4.862
  590    H    GLY  80           HN       GLY  80 -10.385   2.286   4.627
  591    HA2  GLY  80           HA2      GLY  80 -13.175   2.392   5.223
  592    HA3  GLY  80           HA1      GLY  80 -12.040   3.738   5.301
  593    H    ALA  81           HN       ALA  81 -11.173   3.459   2.572
  594    HA   ALA  81           HA       ALA  81 -13.104   5.183   1.392
  595    HB1  ALA  81           HB1      ALA  81 -10.668   3.906   0.146
  596    HB2  ALA  81           HB2      ALA  81 -10.695   5.444   1.001
  597    HB3  ALA  81           HB3      ALA  81 -11.581   5.262  -0.515
  598    H    LEU  82           HN       LEU  82 -12.090   1.860   0.786
  599    HA   LEU  82           HA       LEU  82 -13.742   1.383  -1.452
  600    HB2  LEU  82           HB2      LEU  82 -12.336  -0.424   0.467
  601    HB3  LEU  82           HB1      LEU  82 -13.329  -1.044  -0.824
  602    HG   LEU  82           HG       LEU  82 -10.767   0.552  -1.124
  603   HD11  LEU  82          HD11      LEU  82 -11.488  -2.280  -1.804
  604   HD12  LEU  82          HD12      LEU  82 -10.480  -1.758  -0.454
  605   HD13  LEU  82          HD13      LEU  82  -9.943  -1.487  -2.111
  606   HD21  LEU  82          HD21      LEU  82 -12.408   1.154  -2.844
  607   HD22  LEU  82          HD22      LEU  82 -12.627  -0.555  -3.216
  608   HD23  LEU  82          HD23      LEU  82 -11.067   0.218  -3.504
  609    H    ALA  83           HN       ALA  83 -14.349   1.433   1.886
  610    HA   ALA  83           HA       ALA  83 -16.598  -0.272   1.957
  611    HB1  ALA  83           HB1      ALA  83 -17.121   0.822   4.082
  612    HB2  ALA  83           HB2      ALA  83 -15.941   2.082   3.730
  613    HB3  ALA  83           HB3      ALA  83 -15.407   0.422   3.986
  614    H    GLU  84           HN       GLU  84 -16.074   2.984   0.944
  615    HA   GLU  84           HA       GLU  84 -18.941   3.326   0.537
  616    HB2  GLU  84           HB2      GLU  84 -16.701   5.336   0.520
  617    HB3  GLU  84           HB1      GLU  84 -18.281   5.705  -0.138
  618    HG2  GLU  84           HG2      GLU  84 -18.220   6.603   2.035
  619    HG3  GLU  84           HG1      GLU  84 -19.236   5.175   2.114
  620    H    ALA  85           HN       ALA  85 -15.862   3.607  -1.264
  621    HA   ALA  85           HA       ALA  85 -17.455   3.340  -3.722
  622    HB1  ALA  85           HB1      ALA  85 -14.957   4.965  -3.345
  623    HB2  ALA  85           HB2      ALA  85 -16.598   5.607  -3.466
  624    HB3  ALA  85           HB3      ALA  85 -15.868   4.777  -4.843
  625    H    ALA  86           HN       ALA  86 -16.762   1.949  -5.194
  626    HA   ALA  86           HA       ALA  86 -14.117   0.988  -5.428
  627    HB1  ALA  86           HB1      ALA  86 -14.776  -0.425  -3.509
  628    HB2  ALA  86           HB2      ALA  86 -14.589  -1.398  -4.968
  629    HB3  ALA  86           HB3      ALA  86 -16.200  -0.962  -4.399
  630    H28  SXM  87          H28A      SXM  87   7.558  13.449  -1.247
  631   H28A  SXM  87          H28B      SXM  87   6.757  12.583  -2.559
  632    H30  SXM  87          H30A      SXM  87   3.488  12.278  -0.872
  633   H30A  SXM  87          H30B      SXM  87   4.781  11.079  -0.817
  634   H30B  SXM  87          H30C      SXM  87   4.397  11.895  -2.334
  635    H31  SXM  87          H31C      SXM  87   6.274  14.038   0.827
  636   H31A  SXM  87          H31A      SXM  87   5.840  12.338   1.044
  637   H31B  SXM  87          H31B      SXM  87   4.579  13.573   0.972
  638    H32  SXM  87          H32A      SXM  87   5.808  15.202  -1.390
  639   HO33  SXM  87          H33A      SXM  87   3.109  14.939  -1.509
  640   HN36  SXM  87          H36A      SXM  87   3.617  16.041  -2.826
  641    H37  SXM  87          H37B      SXM  87   3.222  14.656  -5.271
  642   H37A  SXM  87          H37A      SXM  87   4.415  15.946  -5.445
  643    H38  SXM  87          H38A      SXM  87   2.167  16.712  -6.051
  644   H38A  SXM  87          H38B      SXM  87   1.578  16.265  -4.454
  645   HN41  SXM  87          H41A      SXM  87   0.883  18.493  -4.604
  646    H42  SXM  87          H42A      SXM  87   2.579  20.269  -3.087
  647   H42A  SXM  87          H42B      SXM  87   2.208  20.819  -4.716
  648    H43  SXM  87          H43A      SXM  87   0.195  20.206  -2.563
  649   H43A  SXM  87          H43B      SXM  87  -0.185  20.566  -4.250
  650    H2   SXM  87           H2A      SXM  87  -0.597  24.717  -2.823
  651    H2A  SXM  87           H2B      SXM  87  -2.138  24.381  -2.030
  Start of MODEL   11
    1    H1   MET   1           HT1      MET   1 -19.756  -4.207   5.939
    2    H2   MET   1           HT2      MET   1 -20.631  -4.264   4.479
    3    H3   MET   1           HT3      MET   1 -19.460  -3.082   4.708
    4    HA   MET   1           HA       MET   1 -17.728  -4.505   4.612
    5    HB2  MET   1           HB2      MET   1 -18.007  -6.930   4.172
    6    HB3  MET   1           HB1      MET   1 -18.648  -6.469   5.736
    7    HG2  MET   1           HG2      MET   1 -20.923  -6.528   4.798
    8    HG3  MET   1           HG1      MET   1 -20.245  -7.010   3.241
    9    HE1  MET   1           HE1      MET   1 -20.837  -8.051   6.999
   10    HE2  MET   1           HE2      MET   1 -19.085  -8.150   6.847
   11    HE3  MET   1           HE3      MET   1 -20.036  -9.620   7.059
   12    H    ALA   2           HN       ALA   2 -16.751  -4.546   2.712
   13    HA   ALA   2           HA       ALA   2 -18.353  -4.606   0.262
   14    HB1  ALA   2           HB1      ALA   2 -18.247  -2.248   0.922
   15    HB2  ALA   2           HB2      ALA   2 -17.263  -2.536  -0.518
   16    HB3  ALA   2           HB3      ALA   2 -16.491  -2.362   1.056
   17    H    THR   3           HN       THR   3 -16.582  -4.255  -1.625
   18    HA   THR   3           HA       THR   3 -14.643  -6.338  -1.280
   19    HB   THR   3           HB       THR   3 -14.998  -4.344  -3.458
   20    HG1  THR   3           HG1      THR   3 -16.409  -6.570  -2.716
   21   HG21  THR   3          HG21      THR   3 -13.615  -7.034  -3.464
   22   HG22  THR   3          HG22      THR   3 -12.827  -5.461  -3.572
   23   HG23  THR   3          HG23      THR   3 -13.852  -6.029  -4.893
   24    H    LEU   4           HN       LEU   4 -12.961  -5.871  -0.021
   25    HA   LEU   4           HA       LEU   4 -11.689  -3.231  -0.253
   26    HB2  LEU   4           HB2      LEU   4 -11.359  -5.272   1.948
   27    HB3  LEU   4           HB1      LEU   4 -10.704  -3.651   1.918
   28    HG   LEU   4           HG       LEU   4 -13.580  -4.439   2.190
   29   HD11  LEU   4          HD11      LEU   4 -12.307  -4.781   4.207
   30   HD12  LEU   4          HD12      LEU   4 -13.413  -3.419   4.391
   31   HD13  LEU   4          HD13      LEU   4 -11.690  -3.127   4.126
   32   HD21  LEU   4          HD21      LEU   4 -12.386  -1.672   2.123
   33   HD22  LEU   4          HD22      LEU   4 -14.066  -2.058   2.498
   34   HD23  LEU   4          HD23      LEU   4 -13.419  -2.388   0.890
   35    H    LEU   5           HN       LEU   5  -9.262  -3.521   0.333
   36    HA   LEU   5           HA       LEU   5  -8.169  -5.446  -1.507
   37    HB2  LEU   5           HB2      LEU   5  -6.823  -3.371   0.267
   38    HB3  LEU   5           HB1      LEU   5  -5.985  -4.453  -0.830
   39    HG   LEU   5           HG       LEU   5  -7.929  -2.288  -1.548
   40   HD11  LEU   5          HD11      LEU   5  -5.753  -1.506  -0.794
   41   HD12  LEU   5          HD12      LEU   5  -5.949  -1.264  -2.530
   42   HD13  LEU   5          HD13      LEU   5  -4.961  -2.596  -1.931
   43   HD21  LEU   5          HD21      LEU   5  -7.329  -2.819  -3.843
   44   HD22  LEU   5          HD22      LEU   5  -8.106  -4.187  -3.044
   45   HD23  LEU   5          HD23      LEU   5  -6.358  -4.177  -3.275
   46    H    THR   6           HN       THR   6  -7.182  -7.311  -0.915
   47    HA   THR   6           HA       THR   6  -7.386  -8.055   1.855
   48    HB   THR   6           HB       THR   6  -6.389 -10.214   1.085
   49    HG1  THR   6           HG1      THR   6  -6.580  -9.129  -1.544
   50   HG21  THR   6          HG21      THR   6  -8.714  -9.243  -0.598
   51   HG22  THR   6          HG22      THR   6  -8.829  -9.938   1.020
   52   HG23  THR   6          HG23      THR   6  -8.279 -10.930  -0.330
   53    H    THR   7           HN       THR   7  -5.176  -9.382   2.517
   54    HA   THR   7           HA       THR   7  -3.214  -7.333   2.633
   55    HB   THR   7           HB       THR   7  -2.939 -10.231   3.506
   56    HG1  THR   7           HG1      THR   7  -3.549  -8.985   5.618
   57   HG21  THR   7          HG21      THR   7  -1.691  -7.663   4.498
   58   HG22  THR   7          HG22      THR   7  -0.889  -8.869   3.495
   59   HG23  THR   7          HG23      THR   7  -1.382  -9.278   5.141
   60    H    ASP   8           HN       ASP   8  -4.009  -9.907   0.551
   61    HA   ASP   8           HA       ASP   8  -1.356 -10.257  -0.515
   62    HB2  ASP   8           HB2      ASP   8  -2.951 -12.157  -0.424
   63    HB3  ASP   8           HB1      ASP   8  -3.984 -11.316  -1.572
   64    H    ASP   9           HN       ASP   9  -4.395  -8.729  -1.503
   65    HA   ASP   9           HA       ASP   9  -3.684  -7.675  -4.010
   66    HB2  ASP   9           HB2      ASP   9  -5.364  -6.392  -1.837
   67    HB3  ASP   9           HB1      ASP   9  -5.105  -5.646  -3.398
   68    H    LEU  10           HN       LEU  10  -3.379  -6.256  -0.837
   69    HA   LEU  10           HA       LEU  10  -2.030  -3.914  -1.452
   70    HB2  LEU  10           HB2      LEU  10  -3.046  -4.384   0.716
   71    HB3  LEU  10           HB1      LEU  10  -1.885  -5.658   1.006
   72    HG   LEU  10           HG       LEU  10  -0.083  -3.928   1.028
   73   HD11  LEU  10          HD11      LEU  10  -0.709  -1.593   1.307
   74   HD12  LEU  10          HD12      LEU  10  -2.394  -2.012   0.993
   75   HD13  LEU  10          HD13      LEU  10  -1.181  -2.214  -0.276
   76   HD21  LEU  10          HD21      LEU  10  -1.019  -4.785   3.096
   77   HD22  LEU  10          HD22      LEU  10  -2.315  -3.591   3.022
   78   HD23  LEU  10          HD23      LEU  10  -0.645  -3.069   3.255
   79    H    ARG  11           HN       ARG  11  -0.793  -7.103  -0.570
   80    HA   ARG  11           HA       ARG  11   1.902  -6.411  -0.491
   81    HB2  ARG  11           HB2      ARG  11   0.955  -8.417   0.539
   82    HB3  ARG  11           HB1      ARG  11   0.729  -9.108  -1.063
   83    HG2  ARG  11           HG2      ARG  11   3.106  -9.079  -1.450
   84    HG3  ARG  11           HG1      ARG  11   3.366  -8.303   0.116
   85    HD2  ARG  11           HD2      ARG  11   3.800 -10.686   0.225
   86    HD3  ARG  11           HD1      ARG  11   2.432 -10.233   1.241
   87    HE   ARG  11           HE       ARG  11   0.983 -11.093  -0.493
   88   HH11  ARG  11          HH11      ARG  11   4.391 -12.071  -0.611
   89   HH12  ARG  11          HH12      ARG  11   4.100 -13.551  -1.373
   90   HH21  ARG  11          HH21      ARG  11   0.554 -13.059  -1.673
   91   HH22  ARG  11          HH22      ARG  11   1.855 -14.100  -2.058
   92    H    ARG  12           HN       ARG  12   0.181  -8.124  -3.170
   93    HA   ARG  12           HA       ARG  12   2.596  -8.177  -4.634
   94    HB2  ARG  12           HB2      ARG  12  -0.213  -8.809  -5.463
   95    HB3  ARG  12           HB1      ARG  12   1.098  -8.805  -6.634
   96    HG2  ARG  12           HG2      ARG  12   1.118 -10.431  -4.102
   97    HG3  ARG  12           HG1      ARG  12   0.565 -11.041  -5.662
   98    HD2  ARG  12           HD2      ARG  12   2.708 -10.790  -6.629
   99    HD3  ARG  12           HD1      ARG  12   3.367  -9.896  -5.276
  100    HE   ARG  12           HE       ARG  12   2.400 -12.511  -4.629
  101   HH11  ARG  12          HH11      ARG  12   5.143 -10.769  -6.005
  102   HH12  ARG  12          HH12      ARG  12   6.343 -11.789  -5.384
  103   HH21  ARG  12          HH21      ARG  12   4.054 -13.967  -3.733
  104   HH22  ARG  12          HH22      ARG  12   5.712 -13.555  -3.926
  105    H    ALA  13           HN       ALA  13   0.078  -5.817  -4.580
  106    HA   ALA  13           HA       ALA  13   1.024  -4.422  -6.875
  107    HB1  ALA  13           HB1      ALA  13  -0.560  -3.385  -4.523
  108    HB2  ALA  13           HB2      ALA  13  -1.233  -4.080  -5.997
  109    HB3  ALA  13           HB3      ALA  13  -0.343  -2.560  -6.067
  110    H    LEU  14           HN       LEU  14   1.749  -4.420  -3.485
  111    HA   LEU  14           HA       LEU  14   3.409  -2.143  -3.290
  112    HB2  LEU  14           HB2      LEU  14   2.336  -3.437  -1.442
  113    HB3  LEU  14           HB1      LEU  14   3.451  -4.742  -1.755
  114    HG   LEU  14           HG       LEU  14   5.289  -3.098  -1.192
  115   HD11  LEU  14          HD11      LEU  14   2.939  -1.562  -0.117
  116   HD12  LEU  14          HD12      LEU  14   3.998  -1.066  -1.438
  117   HD13  LEU  14          HD13      LEU  14   4.638  -1.207   0.199
  118   HD21  LEU  14          HD21      LEU  14   4.598  -4.900   0.263
  119   HD22  LEU  14          HD22      LEU  14   3.294  -3.906   0.922
  120   HD23  LEU  14          HD23      LEU  14   4.981  -3.464   1.209
  121    H    VAL  15           HN       VAL  15   4.075  -5.582  -3.549
  122    HA   VAL  15           HA       VAL  15   6.819  -5.694  -3.792
  123    HB   VAL  15           HB       VAL  15   4.768  -7.454  -5.207
  124   HG11  VAL  15          HG11      VAL  15   6.997  -7.776  -6.103
  125   HG12  VAL  15          HG12      VAL  15   6.477  -9.177  -5.165
  126   HG13  VAL  15          HG13      VAL  15   7.622  -8.025  -4.475
  127   HG21  VAL  15          HG21      VAL  15   6.085  -7.796  -2.526
  128   HG22  VAL  15          HG22      VAL  15   5.010  -8.956  -3.311
  129   HG23  VAL  15          HG23      VAL  15   4.395  -7.382  -2.810
  130    H    GLU  16           HN       GLU  16   4.452  -5.549  -6.451
  131    HA   GLU  16           HA       GLU  16   6.379  -5.322  -8.493
  132    HB2  GLU  16           HB2      GLU  16   3.450  -4.701  -8.441
  133    HB3  GLU  16           HB1      GLU  16   4.430  -4.534  -9.891
  134    HG2  GLU  16           HG2      GLU  16   4.002  -7.058  -8.316
  135    HG3  GLU  16           HG1      GLU  16   3.257  -6.649  -9.863
  136    H    SER  17           HN       SER  17   5.156  -2.910  -6.361
  137    HA   SER  17           HA       SER  17   5.940  -0.815  -8.222
  138    HB2  SER  17           HB2      SER  17   4.469  -0.604  -5.608
  139    HB3  SER  17           HB1      SER  17   4.794   0.721  -6.724
  140    HG   SER  17           HG       SER  17   3.095  -1.453  -6.939
  141    H    ALA  18           HN       ALA  18   7.401  -2.578  -5.812
  142    HA   ALA  18           HA       ALA  18   8.854  -0.569  -4.448
  143    HB1  ALA  18           HB1      ALA  18  10.475  -2.342  -3.926
  144    HB2  ALA  18           HB2      ALA  18   9.685  -3.399  -5.099
  145    HB3  ALA  18           HB3      ALA  18   8.819  -2.882  -3.662
  146    H    GLY  19           HN       GLY  19   9.363  -2.309  -7.393
  147    HA2  GLY  19           HA2      GLY  19  10.281  -0.347  -8.974
  148    HA3  GLY  19           HA1      GLY  19  11.728  -0.754  -8.057
  149    H    GLU  20           HN       GLU  20  11.230  -3.448  -7.791
  150    HA   GLU  20           HA       GLU  20  12.065  -4.325 -10.433
  151    HB2  GLU  20           HB2      GLU  20  12.062  -5.743  -7.772
  152    HB3  GLU  20           HB1      GLU  20  12.775  -6.342  -9.263
  153    HG2  GLU  20           HG2      GLU  20  13.637  -3.899  -7.735
  154    HG3  GLU  20           HG1      GLU  20  14.468  -5.454  -7.773
  155    H    THR  21           HN       THR  21  11.203  -6.293 -11.306
  156    HA   THR  21           HA       THR  21   8.427  -6.854 -10.868
  157    HB   THR  21           HB       THR  21  10.590  -8.526 -12.221
  158    HG1  THR  21           HG1      THR  21   9.273  -6.192 -12.956
  159   HG21  THR  21          HG21      THR  21   8.716  -9.430 -13.531
  160   HG22  THR  21          HG22      THR  21   7.592  -8.418 -12.626
  161   HG23  THR  21          HG23      THR  21   8.470  -9.709 -11.806
  162    H    ASP  22           HN       ASP  22   7.856  -7.806  -8.977
  163    HA   ASP  22           HA       ASP  22   8.002  -8.668  -6.952
  164    HB2  ASP  22           HB2      ASP  22   9.852 -10.598  -8.325
  165    HB3  ASP  22           HB1      ASP  22   9.823 -10.514  -6.561
  166    H    GLY  23           HN       GLY  23   8.698  -6.560  -6.467
  167    HA2  GLY  23           HA2      GLY  23  11.471  -6.358  -5.626
  168    HA3  GLY  23           HA1      GLY  23  10.323  -5.028  -5.876
  169    H    THR  24           HN       THR  24  11.418  -7.446  -3.739
  170    HA   THR  24           HA       THR  24  11.158  -7.792  -1.516
  171    HB   THR  24           HB       THR  24   9.500  -5.226  -1.430
  172    HG1  THR  24           HG1      THR  24  12.117  -5.639  -1.967
  173   HG21  THR  24          HG21      THR  24  11.166  -6.627   0.681
  174   HG22  THR  24          HG22      THR  24   9.404  -6.608   0.614
  175   HG23  THR  24          HG23      THR  24  10.293  -5.110   0.905
  176    H    ASP  25           HN       ASP  25  10.027  -9.600  -2.010
  177    HA   ASP  25           HA       ASP  25   7.367  -9.980  -2.727
  178    HB2  ASP  25           HB2      ASP  25   9.070 -11.728  -2.832
  179    HB3  ASP  25           HB1      ASP  25   9.141 -11.792  -1.082
  180    H    LEU  26           HN       LEU  26   8.668  -9.565   0.489
  181    HA   LEU  26           HA       LEU  26   7.800  -9.584   2.572
  182    HB2  LEU  26           HB2      LEU  26   5.330  -8.555   1.160
  183    HB3  LEU  26           HB1      LEU  26   5.366  -8.806   2.881
  184    HG   LEU  26           HG       LEU  26   5.665  -6.563   2.656
  185   HD11  LEU  26          HD11      LEU  26   7.923  -6.018   3.324
  186   HD12  LEU  26          HD12      LEU  26   8.430  -7.650   2.881
  187   HD13  LEU  26          HD13      LEU  26   7.248  -7.409   4.173
  188   HD21  LEU  26          HD21      LEU  26   5.970  -6.422   0.271
  189   HD22  LEU  26          HD22      LEU  26   7.622  -7.020   0.425
  190   HD23  LEU  26          HD23      LEU  26   7.185  -5.451   1.102
  191    H    SER  27           HN       SER  27   8.077 -11.783   2.743
  192    HA   SER  27           HA       SER  27   5.701 -13.397   2.305
  193    HB2  SER  27           HB2      SER  27   8.462 -14.242   3.178
  194    HB3  SER  27           HB1      SER  27   7.177 -15.290   2.573
  195    HG   SER  27           HG       SER  27   7.493 -13.529   0.666
  196    H    GLY  28           HN       GLY  28   4.316 -13.430   3.963
  197    HA2  GLY  28           HA2      GLY  28   4.091 -14.482   6.209
  198    HA3  GLY  28           HA1      GLY  28   5.441 -13.454   6.687
  199    H    ASP  29           HN       ASP  29   4.159 -12.498   8.285
  200    HA   ASP  29           HA       ASP  29   1.941 -10.838   7.363
  201    HB2  ASP  29           HB2      ASP  29   2.928 -11.454  10.165
  202    HB3  ASP  29           HB1      ASP  29   1.598 -10.357   9.813
  203    H    PHE  30           HN       PHE  30   2.632  -9.085   6.444
  204    HA   PHE  30           HA       PHE  30   5.114  -7.909   7.425
  205    HB2  PHE  30           HB2      PHE  30   5.271  -6.747   5.282
  206    HB3  PHE  30           HB1      PHE  30   5.123  -8.484   5.074
  207    HD1  PHE  30           HD1      PHE  30   3.525  -5.236   4.593
  208    HD2  PHE  30           HD2      PHE  30   3.124  -9.440   4.065
  209    HE1  PHE  30           HE1      PHE  30   1.648  -4.857   3.060
  210    HE2  PHE  30           HE2      PHE  30   1.240  -9.059   2.542
  211    HZ   PHE  30           HZ       PHE  30   0.500  -6.769   2.035
  212    H    LEU  31           HN       LEU  31   2.017  -7.357   8.203
  213    HA   LEU  31           HA       LEU  31   1.909  -4.524   7.766
  214    HB2  LEU  31           HB2      LEU  31   0.293  -6.236   9.677
  215    HB3  LEU  31           HB1      LEU  31   0.010  -4.538   9.398
  216    HG   LEU  31           HG       LEU  31  -1.654  -5.738   8.246
  217   HD11  LEU  31          HD11      LEU  31   0.369  -4.848   6.232
  218   HD12  LEU  31          HD12      LEU  31  -0.829  -3.838   7.043
  219   HD13  LEU  31          HD13      LEU  31  -1.350  -5.103   5.926
  220   HD21  LEU  31          HD21      LEU  31  -1.191  -7.439   6.537
  221   HD22  LEU  31          HD22      LEU  31  -0.649  -7.910   8.148
  222   HD23  LEU  31          HD23      LEU  31   0.525  -7.354   6.953
  223    H    ASP  32           HN       ASP  32   3.324  -6.585   9.979
  224    HA   ASP  32           HA       ASP  32   3.724  -4.796  12.180
  225    HB2  ASP  32           HB2      ASP  32   3.816  -7.200  12.505
  226    HB3  ASP  32           HB1      ASP  32   5.143  -7.336  11.362
  227    H    LEU  33           HN       LEU  33   5.343  -5.462   9.194
  228    HA   LEU  33           HA       LEU  33   7.809  -4.243  10.063
  229    HB2  LEU  33           HB2      LEU  33   7.020  -5.562   7.466
  230    HB3  LEU  33           HB1      LEU  33   8.548  -4.744   7.688
  231    HG   LEU  33           HG       LEU  33   8.938  -7.068   7.868
  232   HD11  LEU  33          HD11      LEU  33  10.226  -5.754   9.383
  233   HD12  LEU  33          HD12      LEU  33   9.850  -7.318  10.111
  234   HD13  LEU  33          HD13      LEU  33   8.972  -5.876  10.616
  235   HD21  LEU  33          HD21      LEU  33   6.793  -7.209   9.992
  236   HD22  LEU  33          HD22      LEU  33   7.833  -8.542   9.492
  237   HD23  LEU  33          HD23      LEU  33   6.673  -7.850   8.354
  238    H    ARG  34           HN       ARG  34   8.177  -2.223   9.886
  239    HA   ARG  34           HA       ARG  34   6.425  -0.398   8.556
  240    HB2  ARG  34           HB2      ARG  34   9.194   0.006   9.682
  241    HB3  ARG  34           HB1      ARG  34   8.098   1.287   9.189
  242    HG2  ARG  34           HG2      ARG  34   6.547   0.688  10.937
  243    HG3  ARG  34           HG1      ARG  34   7.556  -0.691  11.392
  244    HD2  ARG  34           HD2      ARG  34   7.904   1.227  12.880
  245    HD3  ARG  34           HD1      ARG  34   9.370   0.811  11.989
  246    HE   ARG  34           HE       ARG  34   7.690   2.821  10.790
  247   HH11  ARG  34          HH11      ARG  34  10.531   2.192  12.807
  248   HH12  ARG  34          HH12      ARG  34  11.168   3.767  12.656
  249   HH21  ARG  34          HH21      ARG  34   8.518   4.899  10.551
  250   HH22  ARG  34          HH22      ARG  34   9.945   5.413  11.351
  251    H    PHE  35           HN       PHE  35   6.868   0.841   6.683
  252    HA   PHE  35           HA       PHE  35   8.265  -0.482   4.649
  253    HB2  PHE  35           HB2      PHE  35   7.158   2.312   4.823
  254    HB3  PHE  35           HB1      PHE  35   7.964   1.707   3.379
  255    HD1  PHE  35           HD2      PHE  35   7.043  -0.806   2.790
  256    HD2  PHE  35           HD1      PHE  35   4.899   2.294   4.713
  257    HE1  PHE  35           HE2      PHE  35   4.930  -1.826   2.069
  258    HE2  PHE  35           HE1      PHE  35   2.790   1.286   4.006
  259    HZ   PHE  35           HZ       PHE  35   2.827  -0.769   2.578
  260    H    GLU  36           HN       GLU  36   9.181   1.991   6.839
  261    HA   GLU  36           HA       GLU  36  11.584   2.947   5.832
  262    HB2  GLU  36           HB2      GLU  36  10.959   2.236   8.699
  263    HB3  GLU  36           HB1      GLU  36  12.176   3.374   8.152
  264    HG2  GLU  36           HG2      GLU  36   9.220   3.697   7.708
  265    HG3  GLU  36           HG1      GLU  36  10.111   4.400   9.051
  266    H    ASP  37           HN       ASP  37  10.820  -0.079   7.417
  267    HA   ASP  37           HA       ASP  37  13.578  -0.851   7.870
  268    HB2  ASP  37           HB2      ASP  37  11.743  -1.384   9.475
  269    HB3  ASP  37           HB1      ASP  37  11.046  -2.450   8.262
  270    H    ILE  38           HN       ILE  38  10.888  -1.735   5.772
  271    HA   ILE  38           HA       ILE  38  12.449  -3.872   4.599
  272    HB   ILE  38           HB       ILE  38  10.427  -4.416   3.270
  273   HG12  ILE  38          HG12      ILE  38   9.160  -2.180   4.889
  274   HG13  ILE  38          HG11      ILE  38   9.456  -2.146   3.157
  275   HG21  ILE  38          HG21      ILE  38   9.125  -5.239   5.186
  276   HG22  ILE  38          HG22      ILE  38  10.054  -4.177   6.248
  277   HG23  ILE  38          HG23      ILE  38  10.859  -5.493   5.397
  278   HD11  ILE  38          HD11      ILE  38   7.591  -4.014   4.603
  279   HD12  ILE  38          HD12      ILE  38   7.871  -3.986   2.861
  280   HD13  ILE  38          HD13      ILE  38   7.125  -2.599   3.659
  281    H    GLY  39           HN       GLY  39  13.014  -0.978   4.117
  282    HA2  GLY  39           HA2      GLY  39  14.111   0.119   2.413
  283    HA3  GLY  39           HA1      GLY  39  13.974  -1.352   1.468
  284    H    TYR  40           HN       TYR  40  11.458   0.787   2.795
  285    HA   TYR  40           HA       TYR  40  10.652   1.358   0.051
  286    HB2  TYR  40           HB2      TYR  40   9.078   0.532   2.405
  287    HB3  TYR  40           HB1      TYR  40   8.385   1.739   1.341
  288    HD1  TYR  40           HD1      TYR  40   9.962  -1.601   1.328
  289    HD2  TYR  40           HD2      TYR  40   7.190   1.031  -0.514
  290    HE1  TYR  40           HE1      TYR  40   9.238  -3.415  -0.111
  291    HE2  TYR  40           HE2      TYR  40   6.441  -0.765  -1.993
  292    HH   TYR  40           HH       TYR  40   7.326  -4.053  -1.565
  293    H    ASP  41           HN       ASP  41  11.070   3.358  -0.345
  294    HA   ASP  41           HA       ASP  41  10.719   5.361   1.745
  295    HB2  ASP  41           HB2      ASP  41  11.883   6.860   0.273
  296    HB3  ASP  41           HB1      ASP  41  12.779   5.344   0.233
  297    H    SER  42           HN       SER  42   9.626   7.421   0.643
  298    HA   SER  42           HA       SER  42   7.049   6.489   0.087
  299    HB2  SER  42           HB2      SER  42   6.870   9.207  -0.334
  300    HB3  SER  42           HB1      SER  42   6.602   8.355   1.190
  301    H    LEU  43           HN       LEU  43   9.539   7.147  -2.189
  302    HA   LEU  43           HA       LEU  43   7.803   7.974  -4.303
  303    HB2  LEU  43           HB2      LEU  43  10.315   8.287  -4.259
  304    HB3  LEU  43           HB1      LEU  43  10.494   6.570  -4.496
  305    HG   LEU  43           HG       LEU  43  10.935   7.944  -6.523
  306   HD11  LEU  43          HD11      LEU  43   8.616   6.056  -6.840
  307   HD12  LEU  43          HD12      LEU  43  10.325   5.627  -6.836
  308   HD13  LEU  43          HD13      LEU  43   9.670   6.627  -8.134
  309   HD21  LEU  43          HD21      LEU  43   7.995   8.557  -6.387
  310   HD22  LEU  43          HD22      LEU  43   9.060   8.940  -7.743
  311   HD23  LEU  43          HD23      LEU  43   9.320   9.701  -6.173
  312    H    ALA  44           HN       ALA  44   9.272   4.855  -3.449
  313    HA   ALA  44           HA       ALA  44   7.782   3.370  -5.370
  314    HB1  ALA  44           HB1      ALA  44   8.617   1.376  -4.235
  315    HB2  ALA  44           HB2      ALA  44   9.131   2.349  -2.857
  316    HB3  ALA  44           HB3      ALA  44   9.911   2.554  -4.428
  317    H    LEU  45           HN       LEU  45   7.183   4.437  -2.161
  318    HA   LEU  45           HA       LEU  45   5.027   2.724  -1.575
  319    HB2  LEU  45           HB2      LEU  45   6.291   3.939   0.134
  320    HB3  LEU  45           HB1      LEU  45   5.695   5.460  -0.492
  321    HG   LEU  45           HG       LEU  45   3.441   4.903   0.230
  322   HD11  LEU  45          HD11      LEU  45   4.686   2.367   1.292
  323   HD12  LEU  45          HD12      LEU  45   3.562   2.480  -0.062
  324   HD13  LEU  45          HD13      LEU  45   3.028   2.900   1.566
  325   HD21  LEU  45          HD21      LEU  45   4.935   6.054   1.769
  326   HD22  LEU  45          HD22      LEU  45   5.524   4.506   2.376
  327   HD23  LEU  45          HD23      LEU  45   3.845   4.977   2.643
  328    H    MET  46           HN       MET  46   5.201   6.064  -2.887
  329    HA   MET  46           HA       MET  46   2.466   6.585  -3.282
  330    HB2  MET  46           HB2      MET  46   4.830   7.406  -4.975
  331    HB3  MET  46           HB1      MET  46   3.203   8.005  -5.220
  332    HG2  MET  46           HG2      MET  46   4.894   8.396  -2.780
  333    HG3  MET  46           HG1      MET  46   4.609   9.549  -4.089
  334    HE1  MET  46           HE1      MET  46   2.192  10.621  -4.593
  335    HE2  MET  46           HE2      MET  46   0.741  10.226  -3.670
  336    HE3  MET  46           HE3      MET  46   1.500   9.000  -4.687
  337    H    GLU  47           HN       GLU  47   4.858   5.146  -5.351
  338    HA   GLU  47           HA       GLU  47   3.407   4.646  -7.632
  339    HB2  GLU  47           HB2      GLU  47   5.828   4.521  -7.285
  340    HB3  GLU  47           HB1      GLU  47   5.632   3.035  -6.388
  341    HG2  GLU  47           HG2      GLU  47   6.394   2.612  -8.681
  342    HG3  GLU  47           HG1      GLU  47   4.827   1.877  -8.356
  343    H    THR  48           HN       THR  48   3.668   2.761  -4.678
  344    HA   THR  48           HA       THR  48   2.135   0.513  -5.494
  345    HB   THR  48           HB       THR  48   2.665   1.655  -2.739
  346    HG1  THR  48           HG1      THR  48   4.592   1.028  -3.814
  347   HG21  THR  48          HG21      THR  48   1.712  -1.096  -3.562
  348   HG22  THR  48          HG22      THR  48   0.745   0.134  -2.747
  349   HG23  THR  48          HG23      THR  48   2.116  -0.598  -1.919
  350    H    ALA  49           HN       ALA  49   1.364   3.266  -3.351
  351    HA   ALA  49           HA       ALA  49  -1.292   2.685  -2.849
  352    HB1  ALA  49           HB1      ALA  49  -1.520   5.001  -2.142
  353    HB2  ALA  49           HB2      ALA  49  -0.030   5.418  -2.985
  354    HB3  ALA  49           HB3      ALA  49   0.019   4.336  -1.595
  355    H    ALA  50           HN       ALA  50   0.016   4.862  -5.340
  356    HA   ALA  50           HA       ALA  50  -2.400   5.724  -6.417
  357    HB1  ALA  50           HB1      ALA  50   0.225   5.369  -7.861
  358    HB2  ALA  50           HB2      ALA  50  -0.235   6.772  -6.896
  359    HB3  ALA  50           HB3      ALA  50  -1.117   6.391  -8.374
  360    H    ARG  51           HN       ARG  51  -0.510   2.899  -7.117
  361    HA   ARG  51           HA       ARG  51  -1.844   2.038  -9.456
  362    HB2  ARG  51           HB2      ARG  51   0.401   1.312  -8.789
  363    HB3  ARG  51           HB1      ARG  51  -0.265   0.515  -7.382
  364    HG2  ARG  51           HG2      ARG  51  -1.356  -1.115  -8.779
  365    HG3  ARG  51           HG1      ARG  51  -0.816  -0.265 -10.235
  366    HD2  ARG  51           HD2      ARG  51   1.501  -0.626  -9.618
  367    HD3  ARG  51           HD1      ARG  51   1.004  -1.411  -8.126
  368    HE   ARG  51           HE       ARG  51  -0.137  -3.028  -9.727
  369   HH11  ARG  51          HH11      ARG  51   2.987  -1.420 -10.381
  370   HH12  ARG  51          HH12      ARG  51   3.639  -2.711 -11.261
  371   HH21  ARG  51          HH21      ARG  51   0.762  -4.811 -11.014
  372   HH22  ARG  51          HH22      ARG  51   2.339  -4.674 -11.648
  373    H    LEU  52           HN       LEU  52  -2.285   1.372  -6.039
  374    HA   LEU  52           HA       LEU  52  -4.398  -0.504  -6.405
  375    HB2  LEU  52           HB2      LEU  52  -3.436   1.028  -4.005
  376    HB3  LEU  52           HB1      LEU  52  -4.779  -0.092  -3.935
  377    HG   LEU  52           HG       LEU  52  -2.002  -0.873  -4.809
  378   HD11  LEU  52          HD11      LEU  52  -1.982  -0.158  -2.475
  379   HD12  LEU  52          HD12      LEU  52  -1.803  -1.911  -2.601
  380   HD13  LEU  52          HD13      LEU  52  -3.351  -1.214  -2.132
  381   HD21  LEU  52          HD21      LEU  52  -3.805  -2.295  -5.680
  382   HD22  LEU  52          HD22      LEU  52  -4.434  -2.500  -4.048
  383   HD23  LEU  52          HD23      LEU  52  -2.851  -3.150  -4.467
  384    H    GLU  53           HN       GLU  53  -4.280   2.959  -5.624
  385    HA   GLU  53           HA       GLU  53  -6.964   3.423  -5.121
  386    HB2  GLU  53           HB2      GLU  53  -5.245   5.313  -6.689
  387    HB3  GLU  53           HB1      GLU  53  -6.699   5.620  -5.773
  388    HG2  GLU  53           HG2      GLU  53  -5.609   5.345  -3.717
  389    HG3  GLU  53           HG1      GLU  53  -4.128   4.783  -4.516
  390    H    SER  54           HN       SER  54  -5.255   3.737  -8.210
  391    HA   SER  54           HA       SER  54  -7.459   4.553  -9.686
  392    HB2  SER  54           HB2      SER  54  -4.894   3.270 -10.612
  393    HB3  SER  54           HB1      SER  54  -6.015   4.206 -11.611
  394    HG   SER  54           HG       SER  54  -4.144   5.358 -10.706
  395    H    ARG  55           HN       ARG  55  -6.493   1.360  -8.765
  396    HA   ARG  55           HA       ARG  55  -8.021   0.219 -10.946
  397    HB2  ARG  55           HB2      ARG  55  -5.867  -0.815 -10.216
  398    HB3  ARG  55           HB1      ARG  55  -6.646  -1.265  -8.704
  399    HG2  ARG  55           HG2      ARG  55  -8.261  -2.608  -9.926
  400    HG3  ARG  55           HG1      ARG  55  -7.506  -2.138 -11.446
  401    HD2  ARG  55           HD2      ARG  55  -5.394  -3.193 -10.637
  402    HD3  ARG  55           HD1      ARG  55  -6.289  -3.775  -9.230
  403    HE   ARG  55           HE       ARG  55  -7.597  -4.448 -11.638
  404   HH11  ARG  55          HH11      ARG  55  -4.906  -5.495  -9.566
  405   HH12  ARG  55          HH12      ARG  55  -4.918  -7.093 -10.141
  406   HH21  ARG  55          HH21      ARG  55  -7.529  -6.643 -12.488
  407   HH22  ARG  55          HH22      ARG  55  -6.455  -7.767 -11.841
  408    H    TYR  56           HN       TYR  56  -8.235   0.464  -7.421
  409    HA   TYR  56           HA       TYR  56 -10.760  -0.948  -7.590
  410    HB2  TYR  56           HB2      TYR  56  -8.979  -0.363  -5.251
  411    HB3  TYR  56           HB1      TYR  56 -10.632  -0.936  -5.034
  412    HD1  TYR  56           HD2      TYR  56  -7.296  -1.782  -6.259
  413    HD2  TYR  56           HD1      TYR  56 -11.249  -3.211  -5.636
  414    HE1  TYR  56           HE2      TYR  56  -6.492  -4.076  -6.579
  415    HE2  TYR  56           HE1      TYR  56 -10.464  -5.537  -5.940
  416    HH   TYR  56           HH       TYR  56  -8.415  -6.648  -7.192
  417    H    GLY  57           HN       GLY  57  -9.795   2.228  -7.530
  418    HA2  GLY  57           HA2      GLY  57 -11.270   3.978  -7.870
  419    HA3  GLY  57           HA1      GLY  57 -12.576   2.975  -7.268
  420    H    VAL  58           HN       VAL  58  -9.502   4.115  -5.885
  421    HA   VAL  58           HA       VAL  58 -11.091   5.456  -3.844
  422    HB   VAL  58           HB       VAL  58  -9.552   4.867  -2.018
  423   HG11  VAL  58          HG11      VAL  58 -10.587   2.484  -3.462
  424   HG12  VAL  58          HG12      VAL  58 -11.497   3.501  -2.332
  425   HG13  VAL  58          HG13      VAL  58 -10.128   2.525  -1.761
  426   HG21  VAL  58          HG21      VAL  58  -7.536   4.475  -3.384
  427   HG22  VAL  58          HG22      VAL  58  -8.265   2.937  -3.913
  428   HG23  VAL  58          HG23      VAL  58  -7.861   3.188  -2.223
  429    H    SER  59           HN       SER  59  -9.524   6.882  -2.444
  430    HA   SER  59           HA       SER  59  -7.445   7.976  -4.088
  431    HB2  SER  59           HB2      SER  59  -9.829   9.574  -3.135
  432    HB3  SER  59           HB1      SER  59  -8.344  10.292  -3.769
  433    HG   SER  59           HG       SER  59  -8.819   8.677  -5.572
  434    H    ILE  60           HN       ILE  60  -5.788   8.067  -2.929
  435    HA   ILE  60           HA       ILE  60  -5.915   8.700  -0.051
  436    HB   ILE  60           HB       ILE  60  -3.690   7.239  -1.542
  437   HG12  ILE  60          HG12      ILE  60  -5.665   5.803  -1.619
  438   HG13  ILE  60          HG11      ILE  60  -4.482   5.132  -0.505
  439   HG21  ILE  60          HG21      ILE  60  -4.188   7.508   1.426
  440   HG22  ILE  60          HG22      ILE  60  -2.939   8.329   0.496
  441   HG23  ILE  60          HG23      ILE  60  -2.874   6.587   0.694
  442   HD11  ILE  60          HD11      ILE  60  -6.964   6.663   0.243
  443   HD12  ILE  60          HD12      ILE  60  -5.783   5.994   1.376
  444   HD13  ILE  60          HD13      ILE  60  -6.732   4.916   0.349
  445    HA   PRO  61           HA       PRO  61  -4.278  12.563  -1.825
  446    HB2  PRO  61           HB2      PRO  61  -3.518  12.897   1.046
  447    HB3  PRO  61           HB1      PRO  61  -4.325  14.039  -0.035
  448    HG2  PRO  61           HG2      PRO  61  -5.716  12.731   1.806
  449    HG3  PRO  61           HG1      PRO  61  -6.387  12.996   0.184
  450    HD2  PRO  61           HD2      PRO  61  -5.267  10.507   1.390
  451    HD3  PRO  61           HD1      PRO  61  -6.599  10.701   0.237
  452    H    ASP  62           HN       ASP  62  -2.294  13.139  -2.495
  453    HA   ASP  62           HA       ASP  62  -0.235  11.297  -2.679
  454    HB2  ASP  62           HB2      ASP  62   0.115  14.291  -2.876
  455    HB3  ASP  62           HB1      ASP  62   1.231  13.085  -3.493
  456    H    ASP  63           HN       ASP  63  -0.349  14.078  -0.501
  457    HA   ASP  63           HA       ASP  63   2.246  13.526   0.578
  458    HB2  ASP  63           HB2      ASP  63   1.245  15.806   0.491
  459    HB3  ASP  63           HB1      ASP  63   0.093  15.312   1.723
  460    H    VAL  64           HN       VAL  64  -0.846  12.349   1.229
  461    HA   VAL  64           HA       VAL  64  -0.235  11.421   3.922
  462    HB   VAL  64           HB       VAL  64  -2.668  10.925   2.158
  463   HG11  VAL  64          HG11      VAL  64  -2.381   9.136   3.801
  464   HG12  VAL  64          HG12      VAL  64  -3.776  10.139   4.193
  465   HG13  VAL  64          HG13      VAL  64  -2.271  10.331   5.094
  466   HG21  VAL  64          HG21      VAL  64  -2.281  12.806   4.481
  467   HG22  VAL  64          HG22      VAL  64  -3.803  12.522   3.630
  468   HG23  VAL  64          HG23      VAL  64  -2.442  13.257   2.785
  469    H    ALA  65           HN       ALA  65  -0.741  10.149   0.671
  470    HA   ALA  65           HA       ALA  65  -0.450   7.420   1.160
  471    HB1  ALA  65           HB1      ALA  65   0.023   7.222  -1.224
  472    HB2  ALA  65           HB2      ALA  65   0.310   8.959  -1.322
  473    HB3  ALA  65           HB3      ALA  65  -1.304   8.353  -0.943
  474    H    GLY  66           HN       GLY  66   1.936   9.930   0.614
  475    HA2  GLY  66           HA2      GLY  66   4.126   8.084   0.559
  476    HA3  GLY  66           HA1      GLY  66   4.239   9.836   0.658
  477    H    ARG  67           HN       ARG  67   2.183   8.998   3.092
  478    HA   ARG  67           HA       ARG  67   4.416   8.811   4.985
  479    HB2  ARG  67           HB2      ARG  67   1.859  10.373   5.268
  480    HB3  ARG  67           HB1      ARG  67   2.950  10.051   6.601
  481    HG2  ARG  67           HG2      ARG  67   3.709  11.543   4.096
  482    HG3  ARG  67           HG1      ARG  67   3.202  12.303   5.599
  483    HD2  ARG  67           HD2      ARG  67   5.585  12.369   5.494
  484    HD3  ARG  67           HD1      ARG  67   5.129  11.197   6.728
  485    HE   ARG  67           HE       ARG  67   5.531   9.985   4.192
  486   HH11  ARG  67          HH11      ARG  67   7.386  11.312   6.894
  487   HH12  ARG  67          HH12      ARG  67   8.715  10.253   6.701
  488   HH21  ARG  67          HH21      ARG  67   7.267   8.580   3.892
  489   HH22  ARG  67          HH22      ARG  67   8.641   8.604   4.896
  490    H    VAL  68           HN       VAL  68   2.292   6.845   3.770
  491    HA   VAL  68           HA       VAL  68   1.261   5.806   6.243
  492    HB   VAL  68           HB       VAL  68   0.408   3.851   4.827
  493   HG11  VAL  68          HG11      VAL  68  -0.377   6.631   3.977
  494   HG12  VAL  68          HG12      VAL  68  -0.991   5.749   5.374
  495   HG13  VAL  68          HG13      VAL  68  -1.344   5.174   3.744
  496   HG21  VAL  68          HG21      VAL  68   0.349   4.174   2.375
  497   HG22  VAL  68          HG22      VAL  68   2.007   3.959   2.939
  498   HG23  VAL  68          HG23      VAL  68   1.404   5.565   2.538
  499    H    ASP  69           HN       ASP  69   3.163   5.679   7.306
  500    HA   ASP  69           HA       ASP  69   5.573   4.498   6.693
  501    HB2  ASP  69           HB2      ASP  69   5.093   5.907   8.664
  502    HB3  ASP  69           HB1      ASP  69   4.250   4.552   9.390
  503    H    THR  70           HN       THR  70   2.798   2.939   8.205
  504    HA   THR  70           HA       THR  70   4.160   0.383   7.770
  505    HB   THR  70           HB       THR  70   2.536  -0.583   9.396
  506    HG1  THR  70           HG1      THR  70   1.730   2.143   9.674
  507   HG21  THR  70          HG21      THR  70   4.031   1.831  10.411
  508   HG22  THR  70          HG22      THR  70   4.698   0.208  10.216
  509   HG23  THR  70          HG23      THR  70   3.438   0.509  11.416
  510    HA   PRO  71           HA       PRO  71   1.393  -0.592   4.457
  511    HB2  PRO  71           HB2      PRO  71   1.181  -3.334   5.563
  512    HB3  PRO  71           HB1      PRO  71   1.764  -2.813   3.980
  513    HG2  PRO  71           HG2      PRO  71   3.459  -3.695   5.841
  514    HG3  PRO  71           HG1      PRO  71   3.896  -2.355   4.767
  515    HD2  PRO  71           HD2      PRO  71   3.016  -2.288   7.622
  516    HD3  PRO  71           HD1      PRO  71   4.261  -1.324   6.804
  517    H    ARG  72           HN       ARG  72   0.643  -1.367   7.680
  518    HA   ARG  72           HA       ARG  72  -2.036  -2.170   7.574
  519    HB2  ARG  72           HB2      ARG  72  -0.560  -2.363   9.537
  520    HB3  ARG  72           HB1      ARG  72  -0.551  -0.619   9.701
  521    HG2  ARG  72           HG2      ARG  72  -2.967  -0.678  10.161
  522    HG3  ARG  72           HG1      ARG  72  -2.919  -2.441  10.045
  523    HD2  ARG  72           HD2      ARG  72  -1.327  -0.770  11.990
  524    HD3  ARG  72           HD1      ARG  72  -2.806  -1.650  12.376
  525    HE   ARG  72           HE       ARG  72  -1.556  -3.691  11.742
  526   HH11  ARG  72          HH11      ARG  72   0.295  -0.824  12.834
  527   HH12  ARG  72          HH12      ARG  72   1.532  -1.767  13.563
  528   HH21  ARG  72          HH21      ARG  72   0.165  -4.923  12.836
  529   HH22  ARG  72          HH22      ARG  72   1.461  -4.091  13.559
  530    H    GLU  73           HN       GLU  73  -0.503   1.010   7.762
  531    HA   GLU  73           HA       GLU  73  -2.871   2.520   8.070
  532    HB2  GLU  73           HB2      GLU  73  -0.124   3.301   7.091
  533    HB3  GLU  73           HB1      GLU  73  -1.405   4.446   7.474
  534    HG2  GLU  73           HG2      GLU  73  -1.414   3.778   9.758
  535    HG3  GLU  73           HG1      GLU  73  -0.299   2.458   9.420
  536    H    LEU  74           HN       LEU  74  -0.959   1.595   5.258
  537    HA   LEU  74           HA       LEU  74  -2.318   3.159   3.320
  538    HB2  LEU  74           HB2      LEU  74  -0.081   1.667   3.196
  539    HB3  LEU  74           HB1      LEU  74  -1.226   0.464   2.639
  540    HG   LEU  74           HG       LEU  74  -0.756   3.105   1.256
  541   HD11  LEU  74          HD11      LEU  74   0.270   0.357   0.588
  542   HD12  LEU  74          HD12      LEU  74   1.226   1.732   1.145
  543   HD13  LEU  74          HD13      LEU  74   0.433   1.788  -0.428
  544   HD21  LEU  74          HD21      LEU  74  -2.983   2.170   0.815
  545   HD22  LEU  74          HD22      LEU  74  -2.248   0.633   0.355
  546   HD23  LEU  74          HD23      LEU  74  -1.961   2.077  -0.619
  547    H    LEU  75           HN       LEU  75  -2.717  -0.180   4.421
  548    HA   LEU  75           HA       LEU  75  -4.879  -0.789   2.744
  549    HB2  LEU  75           HB2      LEU  75  -3.522  -2.536   3.721
  550    HB3  LEU  75           HB1      LEU  75  -3.991  -2.051   5.335
  551    HG   LEU  75           HG       LEU  75  -6.284  -2.809   4.930
  552   HD11  LEU  75          HD11      LEU  75  -6.406  -2.368   2.519
  553   HD12  LEU  75          HD12      LEU  75  -6.907  -3.996   2.914
  554   HD13  LEU  75          HD13      LEU  75  -5.306  -3.717   2.216
  555   HD21  LEU  75          HD21      LEU  75  -5.822  -5.211   4.787
  556   HD22  LEU  75          HD22      LEU  75  -4.678  -4.386   5.842
  557   HD23  LEU  75          HD23      LEU  75  -4.193  -4.860   4.214
  558    H    ASP  76           HN       ASP  76  -4.724   0.551   6.011
  559    HA   ASP  76           HA       ASP  76  -7.468   0.225   6.629
  560    HB2  ASP  76           HB2      ASP  76  -5.781   0.688   8.373
  561    HB3  ASP  76           HB1      ASP  76  -5.550   2.304   7.711
  562    H    LEU  77           HN       LEU  77  -5.630   2.891   5.300
  563    HA   LEU  77           HA       LEU  77  -7.707   4.734   5.056
  564    HB2  LEU  77           HB2      LEU  77  -5.208   4.358   3.435
  565    HB3  LEU  77           HB1      LEU  77  -6.293   5.704   3.220
  566    HG   LEU  77           HG       LEU  77  -4.691   5.082   5.706
  567   HD11  LEU  77          HD11      LEU  77  -4.452   7.283   3.669
  568   HD12  LEU  77          HD12      LEU  77  -3.352   5.919   3.864
  569   HD13  LEU  77          HD13      LEU  77  -3.495   7.125   5.140
  570   HD21  LEU  77          HD21      LEU  77  -5.515   7.231   6.539
  571   HD22  LEU  77          HD22      LEU  77  -6.845   6.103   6.273
  572   HD23  LEU  77          HD23      LEU  77  -6.540   7.396   5.114
  573    H    ILE  78           HN       ILE  78  -6.641   2.171   2.873
  574    HA   ILE  78           HA       ILE  78  -8.536   2.967   0.900
  575    HB   ILE  78           HB       ILE  78  -6.784   0.489   1.033
  576   HG12  ILE  78          HG12      ILE  78  -6.713   3.020  -0.615
  577   HG13  ILE  78          HG11      ILE  78  -5.516   2.460   0.546
  578   HG21  ILE  78          HG21      ILE  78  -7.490  -0.014  -1.256
  579   HG22  ILE  78          HG22      ILE  78  -8.653   1.308  -1.191
  580   HG23  ILE  78          HG23      ILE  78  -8.850  -0.090  -0.135
  581   HD11  ILE  78          HD11      ILE  78  -4.755   2.152  -1.772
  582   HD12  ILE  78          HD12      ILE  78  -6.180   1.154  -2.074
  583   HD13  ILE  78          HD13      ILE  78  -4.958   0.594  -0.935
  584    H    ASN  79           HN       ASN  79  -8.475   0.607   3.485
  585    HA   ASN  79           HA       ASN  79 -10.805  -0.813   2.904
  586    HB2  ASN  79           HB2      ASN  79  -9.748   0.074   5.601
  587    HB3  ASN  79           HB1      ASN  79 -11.121  -0.995   5.409
  588   HD21  ASN  79          HD21      ASN  79  -9.907  -2.461   3.161
  589   HD22  ASN  79          HD22      ASN  79  -8.643  -3.405   3.853
  590    H    GLY  80           HN       GLY  80 -10.444   2.201   4.703
  591    HA2  GLY  80           HA2      GLY  80 -13.192   2.630   5.147
  592    HA3  GLY  80           HA1      GLY  80 -11.948   3.871   5.188
  593    H    ALA  81           HN       ALA  81 -11.091   3.587   2.501
  594    HA   ALA  81           HA       ALA  81 -13.031   5.283   1.299
  595    HB1  ALA  81           HB1      ALA  81 -10.628   5.627   0.976
  596    HB2  ALA  81           HB2      ALA  81 -11.464   5.428  -0.565
  597    HB3  ALA  81           HB3      ALA  81 -10.527   4.096   0.111
  598    H    LEU  82           HN       LEU  82 -11.938   1.963   0.719
  599    HA   LEU  82           HA       LEU  82 -13.621   1.542  -1.509
  600    HB2  LEU  82           HB2      LEU  82 -12.119  -0.296   0.300
  601    HB3  LEU  82           HB1      LEU  82 -13.264  -0.943  -0.853
  602    HG   LEU  82           HG       LEU  82 -10.769   0.662  -1.540
  603   HD11  LEU  82          HD11      LEU  82 -11.452  -2.237  -1.919
  604   HD12  LEU  82          HD12      LEU  82 -10.304  -1.586  -0.752
  605   HD13  LEU  82          HD13      LEU  82  -9.991  -1.419  -2.482
  606   HD21  LEU  82          HD21      LEU  82 -12.623   1.072  -3.094
  607   HD22  LEU  82          HD22      LEU  82 -12.824  -0.669  -3.300
  608   HD23  LEU  82          HD23      LEU  82 -11.340   0.118  -3.839
  609    H    ALA  83           HN       ALA  83 -14.157   1.335   1.902
  610    HA   ALA  83           HA       ALA  83 -16.567  -0.139   1.762
  611    HB1  ALA  83           HB1      ALA  83 -15.315   0.138   3.860
  612    HB2  ALA  83           HB2      ALA  83 -16.987   0.671   4.027
  613    HB3  ALA  83           HB3      ALA  83 -15.696   1.862   3.852
  614    H    GLU  84           HN       GLU  84 -15.804   3.303   1.611
  615    HA   GLU  84           HA       GLU  84 -18.564   4.087   1.444
  616    HB2  GLU  84           HB2      GLU  84 -16.052   5.682   0.915
  617    HB3  GLU  84           HB1      GLU  84 -17.676   6.346   1.024
  618    HG2  GLU  84           HG2      GLU  84 -17.811   5.545   3.349
  619    HG3  GLU  84           HG1      GLU  84 -16.144   4.990   3.220
  620    H    ALA  85           HN       ALA  85 -16.211   2.986  -0.706
  621    HA   ALA  85           HA       ALA  85 -17.166   4.195  -3.101
  622    HB1  ALA  85           HB1      ALA  85 -15.546   1.667  -2.771
  623    HB2  ALA  85           HB2      ALA  85 -14.886   3.295  -2.921
  624    HB3  ALA  85           HB3      ALA  85 -15.763   2.571  -4.269
  625    H    ALA  86           HN       ALA  86 -18.365   1.742  -1.134
  626    HA   ALA  86           HA       ALA  86 -19.935   0.514  -3.244
  627    HB1  ALA  86           HB1      ALA  86 -18.998  -0.945  -1.496
  628    HB2  ALA  86           HB2      ALA  86 -20.762  -0.954  -1.444
  629    HB3  ALA  86           HB3      ALA  86 -19.850  -0.014  -0.262
  630    H28  SXM  87          H28A      SXM  87   7.519  13.308   0.332
  631   H28A  SXM  87          H28B      SXM  87   8.495  12.822  -1.044
  632    H30  SXM  87          H30A      SXM  87   6.025  11.130  -2.147
  633   H30A  SXM  87          H30B      SXM  87   7.197  12.002  -3.138
  634   H30B  SXM  87          H30C      SXM  87   5.479  12.382  -3.267
  635    H31  SXM  87          H31C      SXM  87   4.318  13.566  -1.402
  636   H31A  SXM  87          H31A      SXM  87   5.213  13.995   0.056
  637   H31B  SXM  87          H31B      SXM  87   4.846  12.306  -0.287
  638    H32  SXM  87          H32A      SXM  87   6.993  15.240  -1.305
  639   HO33  SXM  87          H33A      SXM  87   5.243  14.418  -3.364
  640   HN36  SXM  87          H36A      SXM  87   7.103  15.691  -4.267
  641    H37  SXM  87          H37B      SXM  87   8.715  14.798  -6.017
  642   H37A  SXM  87          H37A      SXM  87   9.933  14.882  -4.756
  643    H38  SXM  87          H38A      SXM  87   8.327  17.203  -5.797
  644   H38A  SXM  87          H38B      SXM  87   9.702  17.306  -4.684
  645   HN41  SXM  87          H41A      SXM  87   9.670  18.869  -6.702
  646    H42  SXM  87          H42A      SXM  87  11.804  19.269  -8.011
  647   H42A  SXM  87          H42B      SXM  87  11.342  17.803  -8.869
  648    H43  SXM  87          H43A      SXM  87  10.592  19.678 -10.188
  649   H43A  SXM  87          H43B      SXM  87   9.768  20.354  -8.776
  650    H2   SXM  87           H2A      SXM  87   5.825  19.878 -11.400
  651    H2A  SXM  87           H2B      SXM  87   5.824  19.080  -9.842
  Start of MODEL   12
    1    H1   MET   1           HT1      MET   1 -18.575  -5.834  -4.311
    2    H2   MET   1           HT2      MET   1 -18.762  -5.347  -5.929
    3    H3   MET   1           HT3      MET   1 -20.112  -5.804  -5.049
    4    HA   MET   1           HA       MET   1 -19.919  -3.419  -5.335
    5    HB2  MET   1           HB2      MET   1 -19.356  -4.274  -2.479
    6    HB3  MET   1           HB1      MET   1 -20.061  -2.741  -2.965
    7    HG2  MET   1           HG2      MET   1 -22.006  -3.919  -3.841
    8    HG3  MET   1           HG1      MET   1 -21.292  -5.455  -3.357
    9    HE1  MET   1           HE1      MET   1 -24.199  -4.674  -2.522
   10    HE2  MET   1           HE2      MET   1 -24.207  -5.104  -0.812
   11    HE3  MET   1           HE3      MET   1 -23.407  -6.154  -1.981
   12    H    ALA   2           HN       ALA   2 -17.424  -4.381  -2.977
   13    HA   ALA   2           HA       ALA   2 -15.336  -3.113  -4.430
   14    HB1  ALA   2           HB1      ALA   2 -14.757  -1.510  -2.643
   15    HB2  ALA   2           HB2      ALA   2 -16.238  -1.935  -1.784
   16    HB3  ALA   2           HB3      ALA   2 -16.328  -1.134  -3.352
   17    H    THR   3           HN       THR   3 -13.845  -4.641  -4.187
   18    HA   THR   3           HA       THR   3 -13.939  -6.518  -2.056
   19    HB   THR   3           HB       THR   3 -11.819  -7.281  -3.253
   20    HG1  THR   3           HG1      THR   3 -11.391  -5.231  -4.130
   21   HG21  THR   3          HG21      THR   3 -14.346  -6.972  -4.888
   22   HG22  THR   3          HG22      THR   3 -14.032  -8.257  -3.720
   23   HG23  THR   3          HG23      THR   3 -13.064  -8.145  -5.191
   24    H    LEU   4           HN       LEU   4 -13.307  -5.706  -0.082
   25    HA   LEU   4           HA       LEU   4 -11.201  -3.838   0.172
   26    HB2  LEU   4           HB2      LEU   4 -12.578  -5.568   2.218
   27    HB3  LEU   4           HB1      LEU   4 -11.231  -4.523   2.647
   28    HG   LEU   4           HG       LEU   4 -13.827  -3.596   1.441
   29   HD11  LEU   4          HD11      LEU   4 -14.153  -4.307   3.749
   30   HD12  LEU   4          HD12      LEU   4 -14.202  -2.539   3.621
   31   HD13  LEU   4          HD13      LEU   4 -12.763  -3.334   4.249
   32   HD21  LEU   4          HD21      LEU   4 -11.961  -2.206   0.788
   33   HD22  LEU   4          HD22      LEU   4 -11.468  -2.047   2.473
   34   HD23  LEU   4          HD23      LEU   4 -12.994  -1.353   1.932
   35    H    LEU   5           HN       LEU   5  -9.242  -4.052   0.086
   36    HA   LEU   5           HA       LEU   5  -8.078  -6.275  -1.029
   37    HB2  LEU   5           HB2      LEU   5  -6.709  -3.939   0.305
   38    HB3  LEU   5           HB1      LEU   5  -5.986  -5.059  -0.842
   39    HG   LEU   5           HG       LEU   5  -8.221  -3.117  -1.386
   40   HD11  LEU   5          HD11      LEU   5  -5.352  -3.150  -2.268
   41   HD12  LEU   5          HD12      LEU   5  -6.086  -2.037  -1.114
   42   HD13  LEU   5          HD13      LEU   5  -6.587  -2.013  -2.808
   43   HD21  LEU   5          HD21      LEU   5  -8.476  -5.146  -2.704
   44   HD22  LEU   5          HD22      LEU   5  -6.805  -5.009  -3.257
   45   HD23  LEU   5          HD23      LEU   5  -7.991  -3.788  -3.716
   46    H    THR   6           HN       THR   6  -7.042  -7.958  -0.356
   47    HA   THR   6           HA       THR   6  -6.775  -8.441   2.497
   48    HB   THR   6           HB       THR   6  -6.152 -10.750   1.790
   49    HG1  THR   6           HG1      THR   6  -6.568  -9.661  -0.829
   50   HG21  THR   6          HG21      THR   6  -8.512 -10.218   2.206
   51   HG22  THR   6          HG22      THR   6  -8.358 -11.407   0.910
   52   HG23  THR   6          HG23      THR   6  -8.699  -9.718   0.526
   53    H    THR   7           HN       THR   7  -4.517 -10.030   2.645
   54    HA   THR   7           HA       THR   7  -2.519  -8.054   2.306
   55    HB   THR   7           HB       THR   7  -0.967  -9.845   3.130
   56    HG1  THR   7           HG1      THR   7  -2.035 -11.712   4.022
   57   HG21  THR   7          HG21      THR   7  -3.413  -9.250   4.800
   58   HG22  THR   7          HG22      THR   7  -2.027  -8.189   4.585
   59   HG23  THR   7          HG23      THR   7  -1.829  -9.733   5.423
   60    H    ASP   8           HN       ASP   8  -3.635 -10.708   0.500
   61    HA   ASP   8           HA       ASP   8  -1.366 -11.129  -1.161
   62    HB2  ASP   8           HB2      ASP   8  -3.351 -12.666  -1.046
   63    HB3  ASP   8           HB1      ASP   8  -4.268 -11.464  -1.954
   64    H    ASP   9           HN       ASP   9  -4.246  -9.208  -1.478
   65    HA   ASP   9           HA       ASP   9  -3.744  -8.004  -3.977
   66    HB2  ASP   9           HB2      ASP   9  -5.289  -6.817  -1.654
   67    HB3  ASP   9           HB1      ASP   9  -5.366  -6.292  -3.327
   68    H    LEU  10           HN       LEU  10  -3.179  -6.925  -0.696
   69    HA   LEU  10           HA       LEU  10  -1.997  -4.444  -1.265
   70    HB2  LEU  10           HB2      LEU  10  -2.973  -5.130   0.899
   71    HB3  LEU  10           HB1      LEU  10  -1.654  -6.252   1.127
   72    HG   LEU  10           HG       LEU  10  -0.084  -4.331   1.246
   73   HD11  LEU  10          HD11      LEU  10  -0.988  -2.087   1.482
   74   HD12  LEU  10          HD12      LEU  10  -2.608  -2.716   1.159
   75   HD13  LEU  10          HD13      LEU  10  -1.375  -2.764  -0.108
   76   HD21  LEU  10          HD21      LEU  10  -1.034  -5.293   3.277
   77   HD22  LEU  10          HD22      LEU  10  -2.419  -4.209   3.151
   78   HD23  LEU  10          HD23      LEU  10  -0.807  -3.553   3.445
   79    H    ARG  11           HN       ARG  11  -0.599  -7.657  -0.633
   80    HA   ARG  11           HA       ARG  11   2.090  -6.937  -0.575
   81    HB2  ARG  11           HB2      ARG  11   1.139  -9.174   0.082
   82    HB3  ARG  11           HB1      ARG  11   1.027  -9.556  -1.630
   83    HG2  ARG  11           HG2      ARG  11   3.518  -9.017  -1.736
   84    HG3  ARG  11           HG1      ARG  11   3.477  -9.105   0.024
   85    HD2  ARG  11           HD2      ARG  11   2.754 -11.283  -1.923
   86    HD3  ARG  11           HD1      ARG  11   4.174 -11.222  -0.886
   87    HE   ARG  11           HE       ARG  11   1.543 -11.238   0.357
   88   HH11  ARG  11          HH11      ARG  11   4.623 -12.909  -0.290
   89   HH12  ARG  11          HH12      ARG  11   4.211 -14.272   0.653
   90   HH21  ARG  11          HH21      ARG  11   1.030 -13.077   1.650
   91   HH22  ARG  11          HH22      ARG  11   2.130 -14.374   1.814
   92    H    ARG  12           HN       ARG  12   0.155  -8.205  -3.293
   93    HA   ARG  12           HA       ARG  12   2.312  -8.201  -5.064
   94    HB2  ARG  12           HB2      ARG  12  -0.638  -8.173  -5.653
   95    HB3  ARG  12           HB1      ARG  12   0.582  -8.269  -6.919
   96    HG2  ARG  12           HG2      ARG  12   0.284 -10.250  -4.663
   97    HG3  ARG  12           HG1      ARG  12  -0.338 -10.474  -6.301
   98    HD2  ARG  12           HD2      ARG  12   1.902 -10.426  -7.204
   99    HD3  ARG  12           HD1      ARG  12   2.591 -10.038  -5.637
  100    HE   ARG  12           HE       ARG  12   1.294 -12.571  -6.307
  101   HH11  ARG  12          HH11      ARG  12   3.785 -10.702  -4.703
  102   HH12  ARG  12          HH12      ARG  12   4.519 -11.997  -3.878
  103   HH21  ARG  12          HH21      ARG  12   2.261 -14.425  -5.208
  104   HH22  ARG  12          HH22      ARG  12   3.574 -14.219  -4.154
  105    H    ALA  13           HN       ALA  13   0.058  -5.587  -4.468
  106    HA   ALA  13           HA       ALA  13   1.059  -3.961  -6.570
  107    HB1  ALA  13           HB1      ALA  13  -0.265  -3.136  -3.985
  108    HB2  ALA  13           HB2      ALA  13  -1.094  -3.534  -5.489
  109    HB3  ALA  13           HB3      ALA  13  -0.047  -2.116  -5.406
  110    H    LEU  14           HN       LEU  14   2.016  -4.523  -3.282
  111    HA   LEU  14           HA       LEU  14   3.851  -2.347  -3.062
  112    HB2  LEU  14           HB2      LEU  14   2.578  -3.439  -1.194
  113    HB3  LEU  14           HB1      LEU  14   3.602  -4.841  -1.382
  114    HG   LEU  14           HG       LEU  14   5.557  -3.468  -0.733
  115   HD11  LEU  14          HD11      LEU  14   4.698  -1.315  -1.507
  116   HD12  LEU  14          HD12      LEU  14   5.187  -1.241   0.184
  117   HD13  LEU  14          HD13      LEU  14   3.475  -1.346  -0.238
  118   HD21  LEU  14          HD21      LEU  14   4.943  -3.244   1.626
  119   HD22  LEU  14          HD22      LEU  14   4.330  -4.749   0.944
  120   HD23  LEU  14          HD23      LEU  14   3.238  -3.388   1.196
  121    H    VAL  15           HN       VAL  15   4.046  -5.741  -3.876
  122    HA   VAL  15           HA       VAL  15   6.896  -5.943  -3.843
  123    HB   VAL  15           HB       VAL  15   4.855  -7.703  -5.267
  124   HG11  VAL  15          HG11      VAL  15   6.616  -9.403  -5.336
  125   HG12  VAL  15          HG12      VAL  15   7.759  -8.246  -4.650
  126   HG13  VAL  15          HG13      VAL  15   7.074  -7.965  -6.251
  127   HG21  VAL  15          HG21      VAL  15   5.192  -9.232  -3.389
  128   HG22  VAL  15          HG22      VAL  15   4.566  -7.673  -2.858
  129   HG23  VAL  15          HG23      VAL  15   6.272  -8.060  -2.633
  130    H    GLU  16           HN       GLU  16   4.519  -5.408  -6.393
  131    HA   GLU  16           HA       GLU  16   6.243  -5.406  -8.611
  132    HB2  GLU  16           HB2      GLU  16   3.583  -4.106  -8.141
  133    HB3  GLU  16           HB1      GLU  16   4.391  -4.123  -9.700
  134    HG2  GLU  16           HG2      GLU  16   3.683  -6.600  -8.171
  135    HG3  GLU  16           HG1      GLU  16   2.622  -5.847  -9.359
  136    H    SER  17           HN       SER  17   5.362  -2.848  -6.366
  137    HA   SER  17           HA       SER  17   6.618  -0.868  -8.095
  138    HB2  SER  17           HB2      SER  17   5.134  -0.429  -5.510
  139    HB3  SER  17           HB1      SER  17   5.487   0.755  -6.770
  140    HG   SER  17           HG       SER  17   3.559  -1.171  -6.598
  141    H    ALA  18           HN       ALA  18   7.623  -2.928  -5.770
  142    HA   ALA  18           HA       ALA  18   8.889  -1.506  -3.747
  143    HB1  ALA  18           HB1      ALA  18  10.226  -3.497  -3.352
  144    HB2  ALA  18           HB2      ALA  18   9.799  -4.118  -4.948
  145    HB3  ALA  18           HB3      ALA  18   8.556  -3.933  -3.714
  146    H    GLY  19           HN       GLY  19  10.142  -2.425  -6.838
  147    HA2  GLY  19           HA2      GLY  19  12.058  -0.283  -6.844
  148    HA3  GLY  19           HA1      GLY  19  12.817  -1.869  -6.677
  149    H    GLU  20           HN       GLU  20  11.126  -3.391  -8.122
  150    HA   GLU  20           HA       GLU  20  10.559  -2.310 -10.679
  151    HB2  GLU  20           HB2      GLU  20  12.968  -2.816 -10.916
  152    HB3  GLU  20           HB1      GLU  20  12.726  -4.413 -10.243
  153    HG2  GLU  20           HG2      GLU  20  13.074  -4.421 -12.673
  154    HG3  GLU  20           HG1      GLU  20  11.521  -5.102 -12.206
  155    H    THR  21           HN       THR  21   9.563  -4.129 -11.912
  156    HA   THR  21           HA       THR  21   7.386  -5.351 -10.849
  157    HB   THR  21           HB       THR  21   9.178  -6.432 -13.024
  158    HG1  THR  21           HG1      THR  21   8.826  -4.284 -13.464
  159   HG21  THR  21          HG21      THR  21   6.172  -6.579 -12.635
  160   HG22  THR  21          HG22      THR  21   7.297  -7.919 -12.416
  161   HG23  THR  21          HG23      THR  21   7.063  -7.218 -14.019
  162    H    ASP  22           HN       ASP  22   7.231  -6.772  -9.250
  163    HA   ASP  22           HA       ASP  22   7.716  -8.148  -7.576
  164    HB2  ASP  22           HB2      ASP  22   7.413  -9.842  -9.379
  165    HB3  ASP  22           HB1      ASP  22   9.149  -9.787  -9.680
  166    H    GLY  23           HN       GLY  23   8.945  -6.489  -6.713
  167    HA2  GLY  23           HA2      GLY  23  11.811  -6.668  -6.960
  168    HA3  GLY  23           HA1      GLY  23  10.900  -5.462  -6.064
  169    H    THR  24           HN       THR  24   9.852  -6.229  -4.102
  170    HA   THR  24           HA       THR  24  11.474  -8.232  -2.714
  171    HB   THR  24           HB       THR  24  10.442  -5.553  -1.733
  172    HG1  THR  24           HG1      THR  24  12.343  -4.802  -2.242
  173   HG21  THR  24          HG21      THR  24  12.160  -7.624  -0.332
  174   HG22  THR  24          HG22      THR  24  10.480  -7.255   0.058
  175   HG23  THR  24          HG23      THR  24  11.734  -6.040   0.314
  176    H    ASP  25           HN       ASP  25  10.042  -9.874  -2.457
  177    HA   ASP  25           HA       ASP  25   7.218  -9.420  -2.205
  178    HB2  ASP  25           HB2      ASP  25   8.243 -11.515  -3.202
  179    HB3  ASP  25           HB1      ASP  25   8.678 -11.987  -1.564
  180    H    LEU  26           HN       LEU  26   6.138  -9.023  -0.409
  181    HA   LEU  26           HA       LEU  26   7.591  -9.119   2.076
  182    HB2  LEU  26           HB2      LEU  26   5.028  -7.693   1.355
  183    HB3  LEU  26           HB1      LEU  26   5.605  -7.831   2.997
  184    HG   LEU  26           HG       LEU  26   6.167  -5.683   2.287
  185   HD11  LEU  26          HD11      LEU  26   8.596  -5.614   2.350
  186   HD12  LEU  26          HD12      LEU  26   8.641  -7.353   2.073
  187   HD13  LEU  26          HD13      LEU  26   7.908  -6.713   3.544
  188   HD21  LEU  26          HD21      LEU  26   5.901  -5.926  -0.113
  189   HD22  LEU  26          HD22      LEU  26   7.389  -6.869  -0.201
  190   HD23  LEU  26          HD23      LEU  26   7.450  -5.167   0.258
  191    H    SER  27           HN       SER  27   7.481 -11.270   1.956
  192    HA   SER  27           HA       SER  27   5.116 -12.793   2.342
  193    HB2  SER  27           HB2      SER  27   7.940 -13.473   3.140
  194    HB3  SER  27           HB1      SER  27   6.616 -14.608   2.866
  195    HG   SER  27           HG       SER  27   6.863 -13.082   0.666
  196    H    GLY  28           HN       GLY  28   3.966 -13.155   4.178
  197    HA2  GLY  28           HA2      GLY  28   3.881 -13.758   6.480
  198    HA3  GLY  28           HA1      GLY  28   5.277 -12.728   6.761
  199    H    ASP  29           HN       ASP  29   4.137 -11.738   8.445
  200    HA   ASP  29           HA       ASP  29   1.841 -10.128   7.660
  201    HB2  ASP  29           HB2      ASP  29   1.684 -11.299   9.843
  202    HB3  ASP  29           HB1      ASP  29   3.106 -10.422  10.402
  203    H    PHE  30           HN       PHE  30   2.757  -8.728   6.378
  204    HA   PHE  30           HA       PHE  30   5.005  -7.146   7.304
  205    HB2  PHE  30           HB2      PHE  30   4.993  -6.194   5.026
  206    HB3  PHE  30           HB1      PHE  30   5.104  -7.945   5.020
  207    HD1  PHE  30           HD2      PHE  30   3.016  -9.273   4.483
  208    HD2  PHE  30           HD1      PHE  30   3.267  -5.070   3.870
  209    HE1  PHE  30           HE2      PHE  30   1.096  -9.380   2.959
  210    HE2  PHE  30           HE1      PHE  30   1.341  -5.174   2.350
  211    HZ   PHE  30           HZ       PHE  30   0.302  -7.313   1.832
  212    H    LEU  31           HN       LEU  31   1.949  -7.037   8.019
  213    HA   LEU  31           HA       LEU  31   0.968  -4.589   7.127
  214    HB2  LEU  31           HB2      LEU  31   0.164  -6.275   9.466
  215    HB3  LEU  31           HB1      LEU  31  -0.619  -4.755   9.118
  216    HG   LEU  31           HG       LEU  31  -1.971  -6.534   8.280
  217   HD11  LEU  31          HD11      LEU  31  -0.616  -5.113   6.013
  218   HD12  LEU  31          HD12      LEU  31  -1.980  -4.531   6.969
  219   HD13  LEU  31          HD13      LEU  31  -2.170  -5.940   5.924
  220   HD21  LEU  31          HD21      LEU  31  -1.214  -8.091   6.533
  221   HD22  LEU  31          HD22      LEU  31  -0.294  -8.286   8.025
  222   HD23  LEU  31          HD23      LEU  31   0.414  -7.427   6.657
  223    H    ASP  32           HN       ASP  32   2.641  -5.265  10.202
  224    HA   ASP  32           HA       ASP  32   2.685  -2.356  10.445
  225    HB2  ASP  32           HB2      ASP  32   3.214  -2.547  12.836
  226    HB3  ASP  32           HB1      ASP  32   1.704  -3.337  12.436
  227    H    LEU  33           HN       LEU  33   4.485  -4.291   8.950
  228    HA   LEU  33           HA       LEU  33   7.059  -3.625  10.052
  229    HB2  LEU  33           HB2      LEU  33   6.259  -4.713   7.352
  230    HB3  LEU  33           HB1      LEU  33   7.916  -4.377   7.800
  231    HG   LEU  33           HG       LEU  33   6.116  -6.434   9.086
  232   HD11  LEU  33          HD11      LEU  33   6.849  -7.025   6.841
  233   HD12  LEU  33          HD12      LEU  33   7.670  -8.020   8.051
  234   HD13  LEU  33          HD13      LEU  33   8.517  -6.666   7.291
  235   HD21  LEU  33          HD21      LEU  33   8.127  -7.117  10.298
  236   HD22  LEU  33          HD22      LEU  33   7.694  -5.452  10.689
  237   HD23  LEU  33          HD23      LEU  33   9.023  -5.780   9.578
  238    H    ARG  34           HN       ARG  34   7.881  -1.726   9.943
  239    HA   ARG  34           HA       ARG  34   6.586   0.327   8.480
  240    HB2  ARG  34           HB2      ARG  34   9.159   0.405  10.066
  241    HB3  ARG  34           HB1      ARG  34   8.439   1.809   9.303
  242    HG2  ARG  34           HG2      ARG  34   7.795   1.919  11.609
  243    HG3  ARG  34           HG1      ARG  34   6.405   1.386  10.694
  244    HD2  ARG  34           HD2      ARG  34   6.755   0.139  12.825
  245    HD3  ARG  34           HD1      ARG  34   6.639  -0.860  11.380
  246    HE   ARG  34           HE       ARG  34   9.312  -0.120  12.217
  247   HH11  ARG  34          HH11      ARG  34   6.772  -2.572  12.270
  248   HH12  ARG  34          HH12      ARG  34   7.753  -3.848  12.763
  249   HH21  ARG  34          HH21      ARG  34  10.754  -1.909  12.867
  250   HH22  ARG  34          HH22      ARG  34  10.055  -3.450  13.139
  251    H    PHE  35           HN       PHE  35   7.234   1.451   6.766
  252    HA   PHE  35           HA       PHE  35   8.600   0.012   4.819
  253    HB2  PHE  35           HB2      PHE  35   7.604   2.847   4.860
  254    HB3  PHE  35           HB1      PHE  35   8.439   2.177   3.459
  255    HD1  PHE  35           HD2      PHE  35   7.450  -0.169   2.608
  256    HD2  PHE  35           HD1      PHE  35   5.344   2.653   4.980
  257    HE1  PHE  35           HE2      PHE  35   5.339  -1.113   1.856
  258    HE2  PHE  35           HE1      PHE  35   3.226   1.703   4.225
  259    HZ   PHE  35           HZ       PHE  35   3.295  -0.335   2.635
  260    H    GLU  36           HN       GLU  36   9.774   2.421   7.002
  261    HA   GLU  36           HA       GLU  36  12.276   2.830   5.804
  262    HB2  GLU  36           HB2      GLU  36  13.062   3.444   8.093
  263    HB3  GLU  36           HB1      GLU  36  11.589   4.265   7.609
  264    HG2  GLU  36           HG2      GLU  36  10.261   2.810   8.984
  265    HG3  GLU  36           HG1      GLU  36  11.672   1.829   9.375
  266    H    ASP  37           HN       ASP  37  11.044   0.181   7.701
  267    HA   ASP  37           HA       ASP  37  13.585  -1.012   8.311
  268    HB2  ASP  37           HB2      ASP  37  11.526  -1.352   9.707
  269    HB3  ASP  37           HB1      ASP  37  10.824  -2.274   8.384
  270    H    ILE  38           HN       ILE  38  11.117  -1.392   5.802
  271    HA   ILE  38           HA       ILE  38  12.709  -3.517   4.623
  272    HB   ILE  38           HB       ILE  38  10.841  -3.756   2.951
  273   HG12  ILE  38          HG12      ILE  38   9.420  -1.819   4.797
  274   HG13  ILE  38          HG11      ILE  38   9.928  -1.485   3.145
  275   HG21  ILE  38          HG21      ILE  38  11.003  -5.215   4.887
  276   HG22  ILE  38          HG22      ILE  38   9.310  -4.865   4.534
  277   HG23  ILE  38          HG23      ILE  38  10.122  -4.045   5.869
  278   HD11  ILE  38          HD11      ILE  38   7.891  -3.536   3.984
  279   HD12  ILE  38          HD12      ILE  38   8.391  -3.195   2.328
  280   HD13  ILE  38          HD13      ILE  38   7.547  -1.962   3.268
  281    H    GLY  39           HN       GLY  39  13.190  -0.523   4.648
  282    HA2  GLY  39           HA2      GLY  39  14.329   0.984   3.333
  283    HA3  GLY  39           HA1      GLY  39  14.831  -0.408   2.385
  284    H    TYR  40           HN       TYR  40  11.768   1.236   2.936
  285    HA   TYR  40           HA       TYR  40  11.276   1.000   0.072
  286    HB2  TYR  40           HB2      TYR  40   9.761   0.240   2.187
  287    HB3  TYR  40           HB1      TYR  40   9.137   1.856   1.850
  288    HD1  TYR  40           HD1      TYR  40   9.864  -1.394   0.236
  289    HD2  TYR  40           HD2      TYR  40   7.747   2.263   0.188
  290    HE1  TYR  40           HE1      TYR  40   8.466  -2.261  -1.575
  291    HE2  TYR  40           HE2      TYR  40   6.324   1.444  -1.640
  292    HH   TYR  40           HH       TYR  40   6.318  -0.333  -3.391
  293    H    ASP  41           HN       ASP  41  11.140   2.745  -1.139
  294    HA   ASP  41           HA       ASP  41  11.459   5.366   0.072
  295    HB2  ASP  41           HB2      ASP  41  12.850   4.743  -1.856
  296    HB3  ASP  41           HB1      ASP  41  11.406   4.449  -2.815
  297    H    SER  42           HN       SER  42   9.884   7.025  -0.126
  298    HA   SER  42           HA       SER  42   7.239   6.216  -0.118
  299    HB2  SER  42           HB2      SER  42   6.869   8.743  -0.489
  300    HB3  SER  42           HB1      SER  42   7.470   8.162   1.056
  301    H    LEU  43           HN       LEU  43   9.156   7.193  -2.897
  302    HA   LEU  43           HA       LEU  43   6.902   7.851  -4.493
  303    HB2  LEU  43           HB2      LEU  43   9.222   8.553  -5.063
  304    HB3  LEU  43           HB1      LEU  43   9.662   6.890  -5.331
  305    HG   LEU  43           HG       LEU  43   9.383   8.299  -7.394
  306   HD11  LEU  43          HD11      LEU  43   7.591   5.888  -7.245
  307   HD12  LEU  43          HD12      LEU  43   9.318   5.893  -7.604
  308   HD13  LEU  43          HD13      LEU  43   8.183   6.645  -8.724
  309   HD21  LEU  43          HD21      LEU  43   7.113   8.753  -8.201
  310   HD22  LEU  43          HD22      LEU  43   7.473   9.615  -6.706
  311   HD23  LEU  43          HD23      LEU  43   6.463   8.169  -6.668
  312    H    ALA  44           HN       ALA  44   8.686   4.930  -3.839
  313    HA   ALA  44           HA       ALA  44   7.223   3.235  -5.576
  314    HB1  ALA  44           HB1      ALA  44   9.421   2.626  -4.642
  315    HB2  ALA  44           HB2      ALA  44   8.206   1.406  -4.300
  316    HB3  ALA  44           HB3      ALA  44   8.702   2.534  -3.034
  317    H    LEU  45           HN       LEU  45   6.825   4.324  -2.308
  318    HA   LEU  45           HA       LEU  45   4.650   2.635  -1.634
  319    HB2  LEU  45           HB2      LEU  45   6.062   3.656   0.058
  320    HB3  LEU  45           HB1      LEU  45   5.573   5.253  -0.456
  321    HG   LEU  45           HG       LEU  45   3.339   4.895   0.400
  322   HD11  LEU  45          HD11      LEU  45   4.318   2.142   1.148
  323   HD12  LEU  45          HD12      LEU  45   3.139   2.512  -0.111
  324   HD13  LEU  45          HD13      LEU  45   2.758   2.841   1.579
  325   HD21  LEU  45          HD21      LEU  45   5.472   4.047   2.356
  326   HD22  LEU  45          HD22      LEU  45   3.875   4.669   2.767
  327   HD23  LEU  45          HD23      LEU  45   5.037   5.708   1.942
  328    H    MET  46           HN       MET  46   4.856   5.955  -2.810
  329    HA   MET  46           HA       MET  46   2.137   6.639  -2.971
  330    HB2  MET  46           HB2      MET  46   4.409   7.373  -4.833
  331    HB3  MET  46           HB1      MET  46   2.827   8.125  -4.858
  332    HG2  MET  46           HG2      MET  46   4.670   8.165  -2.502
  333    HG3  MET  46           HG1      MET  46   4.639   9.415  -3.733
  334    HE1  MET  46           HE1      MET  46   2.409  10.885  -4.232
  335    HE2  MET  46           HE2      MET  46   0.933  10.743  -3.276
  336    HE3  MET  46           HE3      MET  46   1.434   9.419  -4.330
  337    H    GLU  47           HN       GLU  47   4.307   5.087  -5.227
  338    HA   GLU  47           HA       GLU  47   2.536   4.699  -7.334
  339    HB2  GLU  47           HB2      GLU  47   4.964   4.617  -7.455
  340    HB3  GLU  47           HB1      GLU  47   4.977   3.140  -6.515
  341    HG2  GLU  47           HG2      GLU  47   5.282   2.713  -8.916
  342    HG3  GLU  47           HG1      GLU  47   3.851   1.924  -8.257
  343    H    THR  48           HN       THR  48   3.540   2.471  -4.735
  344    HA   THR  48           HA       THR  48   1.960   0.292  -5.323
  345    HB   THR  48           HB       THR  48   2.758   1.430  -2.634
  346    HG1  THR  48           HG1      THR  48   4.578   0.778  -3.700
  347   HG21  THR  48          HG21      THR  48   0.837  -0.082  -2.360
  348   HG22  THR  48          HG22      THR  48   2.310  -0.805  -1.710
  349   HG23  THR  48          HG23      THR  48   1.688  -1.329  -3.274
  350    H    ALA  49           HN       ALA  49   1.130   3.050  -3.201
  351    HA   ALA  49           HA       ALA  49  -1.478   2.278  -2.622
  352    HB1  ALA  49           HB1      ALA  49  -0.359   5.080  -2.811
  353    HB2  ALA  49           HB2      ALA  49  -0.281   4.036  -1.393
  354    HB3  ALA  49           HB3      ALA  49  -1.843   4.612  -1.978
  355    H    ALA  50           HN       ALA  50  -0.336   4.609  -5.072
  356    HA   ALA  50           HA       ALA  50  -2.840   5.166  -6.179
  357    HB1  ALA  50           HB1      ALA  50  -1.645   6.150  -8.046
  358    HB2  ALA  50           HB2      ALA  50  -0.169   5.314  -7.563
  359    HB3  ALA  50           HB3      ALA  50  -0.851   6.566  -6.526
  360    H    ARG  51           HN       ARG  51  -0.688   2.518  -6.784
  361    HA   ARG  51           HA       ARG  51  -1.729   1.645  -9.260
  362    HB2  ARG  51           HB2      ARG  51   0.438   1.018  -7.955
  363    HB3  ARG  51           HB1      ARG  51  -0.571  -0.161  -7.149
  364    HG2  ARG  51           HG2      ARG  51  -0.946  -1.340  -9.156
  365    HG3  ARG  51           HG1      ARG  51  -0.238  -0.038 -10.126
  366    HD2  ARG  51           HD2      ARG  51   1.897  -0.409  -8.825
  367    HD3  ARG  51           HD1      ARG  51   1.151  -1.871  -8.187
  368    HE   ARG  51           HE       ARG  51   0.888  -2.402 -10.705
  369   HH11  ARG  51          HH11      ARG  51   3.729  -0.821  -9.189
  370   HH12  ARG  51          HH12      ARG  51   4.813  -1.332 -10.395
  371   HH21  ARG  51          HH21      ARG  51   2.397  -3.142 -12.296
  372   HH22  ARG  51          HH22      ARG  51   4.057  -2.741 -12.180
  373    H    LEU  52           HN       LEU  52  -2.668   1.190  -5.949
  374    HA   LEU  52           HA       LEU  52  -4.771  -0.709  -6.526
  375    HB2  LEU  52           HB2      LEU  52  -4.050   0.838  -4.035
  376    HB3  LEU  52           HB1      LEU  52  -5.279  -0.410  -4.121
  377    HG   LEU  52           HG       LEU  52  -2.349  -0.884  -4.674
  378   HD11  LEU  52          HD11      LEU  52  -2.297  -1.982  -2.492
  379   HD12  LEU  52          HD12      LEU  52  -3.959  -1.472  -2.197
  380   HD13  LEU  52          HD13      LEU  52  -2.681  -0.267  -2.344
  381   HD21  LEU  52          HD21      LEU  52  -2.969  -3.245  -4.495
  382   HD22  LEU  52          HD22      LEU  52  -3.843  -2.451  -5.804
  383   HD23  LEU  52          HD23      LEU  52  -4.658  -2.788  -4.276
  384    H    GLU  53           HN       GLU  53  -4.515   2.630  -5.396
  385    HA   GLU  53           HA       GLU  53  -7.139   3.441  -5.311
  386    HB2  GLU  53           HB2      GLU  53  -4.966   5.239  -6.426
  387    HB3  GLU  53           HB1      GLU  53  -6.436   5.583  -5.501
  388    HG2  GLU  53           HG2      GLU  53  -4.082   4.167  -4.385
  389    HG3  GLU  53           HG1      GLU  53  -4.444   5.867  -4.146
  390    H    SER  54           HN       SER  54  -5.040   3.615  -8.176
  391    HA   SER  54           HA       SER  54  -6.998   4.806  -9.812
  392    HB2  SER  54           HB2      SER  54  -5.465   4.208 -11.676
  393    HB3  SER  54           HB1      SER  54  -4.645   5.013 -10.336
  394    HG   SER  54           HG       SER  54  -3.649   3.218  -9.812
  395    H    ARG  55           HN       ARG  55  -6.423   1.541  -8.911
  396    HA   ARG  55           HA       ARG  55  -7.831   0.413 -11.161
  397    HB2  ARG  55           HB2      ARG  55  -5.955  -0.780 -10.020
  398    HB3  ARG  55           HB1      ARG  55  -6.969  -0.930  -8.591
  399    HG2  ARG  55           HG2      ARG  55  -8.635  -2.143 -10.061
  400    HG3  ARG  55           HG1      ARG  55  -7.368  -2.200 -11.285
  401    HD2  ARG  55           HD2      ARG  55  -7.212  -3.343  -8.498
  402    HD3  ARG  55           HD1      ARG  55  -7.461  -4.258  -9.975
  403    HE   ARG  55           HE       ARG  55  -5.135  -3.079 -10.489
  404   HH11  ARG  55          HH11      ARG  55  -6.213  -4.699  -7.466
  405   HH12  ARG  55          HH12      ARG  55  -4.687  -5.353  -7.136
  406   HH21  ARG  55          HH21      ARG  55  -3.027  -4.111 -10.010
  407   HH22  ARG  55          HH22      ARG  55  -2.874  -5.058  -8.623
  408    H    TYR  56           HN       TYR  56  -8.440   1.076  -7.743
  409    HA   TYR  56           HA       TYR  56 -11.103  -0.073  -8.037
  410    HB2  TYR  56           HB2      TYR  56  -9.601   0.673  -5.527
  411    HB3  TYR  56           HB1      TYR  56 -11.207  -0.058  -5.572
  412    HD1  TYR  56           HD1      TYR  56 -11.471  -2.338  -6.597
  413    HD2  TYR  56           HD2      TYR  56  -7.661  -0.676  -5.714
  414    HE1  TYR  56           HE1      TYR  56 -10.502  -4.583  -6.620
  415    HE2  TYR  56           HE2      TYR  56  -6.670  -2.929  -5.743
  416    HH   TYR  56           HH       TYR  56  -7.339  -5.220  -5.461
  417    H    GLY  57           HN       GLY  57  -9.771   2.916  -8.291
  418    HA2  GLY  57           HA2      GLY  57 -10.915   4.862  -8.816
  419    HA3  GLY  57           HA1      GLY  57 -12.408   4.087  -8.313
  420    H    VAL  58           HN       VAL  58  -9.563   4.276  -6.313
  421    HA   VAL  58           HA       VAL  58 -10.995   6.167  -4.643
  422    HB   VAL  58           HB       VAL  58  -9.976   5.146  -2.592
  423   HG11  VAL  58          HG11      VAL  58 -12.205   4.441  -3.390
  424   HG12  VAL  58          HG12      VAL  58 -11.298   3.126  -2.593
  425   HG13  VAL  58          HG13      VAL  58 -11.361   3.211  -4.357
  426   HG21  VAL  58          HG21      VAL  58  -9.041   3.015  -4.493
  427   HG22  VAL  58          HG22      VAL  58  -8.993   2.932  -2.732
  428   HG23  VAL  58          HG23      VAL  58  -8.013   4.131  -3.575
  429    H    SER  59           HN       SER  59  -9.109   7.115  -2.899
  430    HA   SER  59           HA       SER  59  -6.838   7.784  -4.487
  431    HB2  SER  59           HB2      SER  59  -7.489  10.293  -4.487
  432    HB3  SER  59           HB1      SER  59  -8.193   9.185  -5.674
  433    HG   SER  59           HG       SER  59 -10.031   9.835  -4.974
  434    H    ILE  60           HN       ILE  60  -5.696   7.069  -2.651
  435    HA   ILE  60           HA       ILE  60  -5.663   8.573  -0.229
  436    HB   ILE  60           HB       ILE  60  -3.336   6.999  -1.406
  437   HG12  ILE  60          HG12      ILE  60  -5.154   5.452  -1.240
  438   HG13  ILE  60          HG11      ILE  60  -4.080   5.144   0.115
  439   HG21  ILE  60          HG21      ILE  60  -3.891   7.798   1.444
  440   HG22  ILE  60          HG22      ILE  60  -2.645   8.465   0.389
  441   HG23  ILE  60          HG23      ILE  60  -2.550   6.784   0.909
  442   HD11  ILE  60          HD11      ILE  60  -5.607   6.356   1.585
  443   HD12  ILE  60          HD12      ILE  60  -6.394   5.001   0.761
  444   HD13  ILE  60          HD13      ILE  60  -6.676   6.651   0.209
  445    HA   PRO  61           HA       PRO  61  -3.773  12.220  -2.044
  446    HB2  PRO  61           HB2      PRO  61  -3.537  13.012   0.798
  447    HB3  PRO  61           HB1      PRO  61  -4.347  13.841  -0.533
  448    HG2  PRO  61           HG2      PRO  61  -5.770  12.640   1.355
  449    HG3  PRO  61           HG1      PRO  61  -6.265  12.540  -0.349
  450    HD2  PRO  61           HD2      PRO  61  -4.800  10.521   1.315
  451    HD3  PRO  61           HD1      PRO  61  -6.181  10.284   0.216
  452    H    ASP  62           HN       ASP  62  -1.765  13.118  -2.164
  453    HA   ASP  62           HA       ASP  62   0.531  11.634  -1.979
  454    HB2  ASP  62           HB2      ASP  62   0.419  13.575  -3.343
  455    HB3  ASP  62           HB1      ASP  62   0.153  14.618  -1.958
  456    H    ASP  63           HN       ASP  63  -0.503  14.108   0.327
  457    HA   ASP  63           HA       ASP  63   1.739  14.061   2.032
  458    HB2  ASP  63           HB2      ASP  63  -0.013  15.818   2.039
  459    HB3  ASP  63           HB1      ASP  63  -1.122  14.674   2.785
  460    H    VAL  64           HN       VAL  64  -1.023  12.059   1.830
  461    HA   VAL  64           HA       VAL  64  -0.609  10.846   4.426
  462    HB   VAL  64           HB       VAL  64  -2.624  10.119   2.288
  463   HG11  VAL  64          HG11      VAL  64  -2.561   9.568   5.250
  464   HG12  VAL  64          HG12      VAL  64  -2.283   8.398   3.961
  465   HG13  VAL  64          HG13      VAL  64  -3.871   9.138   4.150
  466   HG21  VAL  64          HG21      VAL  64  -2.894  12.457   2.907
  467   HG22  VAL  64          HG22      VAL  64  -2.935  12.014   4.614
  468   HG23  VAL  64          HG23      VAL  64  -4.227  11.489   3.535
  469    H    ALA  65           HN       ALA  65  -0.641   9.871   0.999
  470    HA   ALA  65           HA       ALA  65  -0.089   7.174   1.262
  471    HB1  ALA  65           HB1      ALA  65  -0.774   8.250  -0.848
  472    HB2  ALA  65           HB2      ALA  65   0.656   7.202  -1.009
  473    HB3  ALA  65           HB3      ALA  65   0.858   8.941  -0.950
  474    H    GLY  66           HN       GLY  66   2.273   9.811   0.862
  475    HA2  GLY  66           HA2      GLY  66   4.439   7.921   1.023
  476    HA3  GLY  66           HA1      GLY  66   4.578   9.670   0.944
  477    H    ARG  67           HN       ARG  67   2.427   8.881   3.350
  478    HA   ARG  67           HA       ARG  67   4.536   8.949   5.377
  479    HB2  ARG  67           HB2      ARG  67   3.474  11.147   5.115
  480    HB3  ARG  67           HB1      ARG  67   1.900  10.435   5.395
  481    HG2  ARG  67           HG2      ARG  67   2.449   9.982   7.682
  482    HG3  ARG  67           HG1      ARG  67   4.122  10.472   7.417
  483    HD2  ARG  67           HD2      ARG  67   2.726  12.183   8.559
  484    HD3  ARG  67           HD1      ARG  67   3.474  12.742   7.068
  485    HE   ARG  67           HE       ARG  67   1.397  12.771   6.037
  486   HH11  ARG  67          HH11      ARG  67   1.017  11.599   9.385
  487   HH12  ARG  67          HH12      ARG  67  -0.589  12.167   9.509
  488   HH21  ARG  67          HH21      ARG  67  -0.721  13.614   6.300
  489   HH22  ARG  67          HH22      ARG  67  -1.597  13.345   7.765
  490    H    VAL  68           HN       VAL  68   2.397   6.939   4.110
  491    HA   VAL  68           HA       VAL  68   1.416   5.921   6.625
  492    HB   VAL  68           HB       VAL  68   0.447   4.006   5.292
  493   HG11  VAL  68          HG11      VAL  68  -0.292   6.775   4.413
  494   HG12  VAL  68          HG12      VAL  68  -0.867   5.925   5.849
  495   HG13  VAL  68          HG13      VAL  68  -1.307   5.342   4.243
  496   HG21  VAL  68          HG21      VAL  68   1.362   5.603   2.885
  497   HG22  VAL  68          HG22      VAL  68   0.293   4.208   2.839
  498   HG23  VAL  68          HG23      VAL  68   1.970   4.015   3.350
  499    H    ASP  69           HN       ASP  69   3.279   5.578   7.695
  500    HA   ASP  69           HA       ASP  69   5.565   4.346   6.714
  501    HB2  ASP  69           HB2      ASP  69   4.613   4.756   9.528
  502    HB3  ASP  69           HB1      ASP  69   6.135   3.953   9.171
  503    H    THR  70           HN       THR  70   2.696   2.820   7.777
  504    HA   THR  70           HA       THR  70   4.086   0.278   7.416
  505    HB   THR  70           HB       THR  70   2.514  -0.720   9.128
  506    HG1  THR  70           HG1      THR  70   2.083   2.009   9.754
  507   HG21  THR  70          HG21      THR  70   4.825  -0.124   9.767
  508   HG22  THR  70          HG22      THR  70   3.693   0.145  11.095
  509   HG23  THR  70          HG23      THR  70   4.280   1.507  10.147
  510    HA   PRO  71           HA       PRO  71   1.078  -0.558   4.234
  511    HB2  PRO  71           HB2      PRO  71   1.167  -3.340   5.299
  512    HB3  PRO  71           HB1      PRO  71   1.396  -2.766   3.640
  513    HG2  PRO  71           HG2      PRO  71   3.483  -3.513   5.062
  514    HG3  PRO  71           HG1      PRO  71   3.574  -2.053   4.056
  515    HD2  PRO  71           HD2      PRO  71   3.210  -2.295   7.019
  516    HD3  PRO  71           HD1      PRO  71   4.219  -1.159   6.099
  517    H    ARG  72           HN       ARG  72   0.518  -1.653   7.529
  518    HA   ARG  72           HA       ARG  72  -2.195  -2.336   7.287
  519    HB2  ARG  72           HB2      ARG  72  -0.860  -2.858   9.308
  520    HB3  ARG  72           HB1      ARG  72  -0.792  -1.146   9.699
  521    HG2  ARG  72           HG2      ARG  72  -3.212  -1.110  10.018
  522    HG3  ARG  72           HG1      ARG  72  -3.304  -2.815   9.578
  523    HD2  ARG  72           HD2      ARG  72  -1.785  -1.684  11.931
  524    HD3  ARG  72           HD1      ARG  72  -3.358  -2.473  12.020
  525    HE   ARG  72           HE       ARG  72  -2.086  -4.416  10.958
  526   HH11  ARG  72          HH11      ARG  72  -0.886  -2.275  13.549
  527   HH12  ARG  72          HH12      ARG  72   0.292  -3.361  14.108
  528   HH21  ARG  72          HH21      ARG  72  -0.456  -5.957  11.793
  529   HH22  ARG  72          HH22      ARG  72   0.621  -5.454  13.007
  530    H    GLU  73           HN       GLU  73  -0.581   0.752   7.794
  531    HA   GLU  73           HA       GLU  73  -2.872   2.338   8.268
  532    HB2  GLU  73           HB2      GLU  73  -0.240   3.099   6.996
  533    HB3  GLU  73           HB1      GLU  73  -1.420   4.233   7.612
  534    HG2  GLU  73           HG2      GLU  73   0.102   2.224   9.216
  535    HG3  GLU  73           HG1      GLU  73   0.449   3.945   9.101
  536    H    LEU  74           HN       LEU  74  -1.095   1.456   5.384
  537    HA   LEU  74           HA       LEU  74  -2.451   3.038   3.467
  538    HB2  LEU  74           HB2      LEU  74  -0.251   1.519   3.373
  539    HB3  LEU  74           HB1      LEU  74  -1.391   0.314   2.820
  540    HG   LEU  74           HG       LEU  74  -0.816   2.935   1.435
  541   HD11  LEU  74          HD11      LEU  74   1.074   1.470   1.325
  542   HD12  LEU  74          HD12      LEU  74   0.288   1.550  -0.251
  543   HD13  LEU  74          HD13      LEU  74   0.054   0.138   0.780
  544   HD21  LEU  74          HD21      LEU  74  -3.106   2.142   0.991
  545   HD22  LEU  74          HD22      LEU  74  -2.466   0.569   0.517
  546   HD23  LEU  74          HD23      LEU  74  -2.087   2.003  -0.443
  547    H    LEU  75           HN       LEU  75  -2.915  -0.352   4.450
  548    HA   LEU  75           HA       LEU  75  -5.184  -0.776   2.831
  549    HB2  LEU  75           HB2      LEU  75  -3.835  -2.624   3.665
  550    HB3  LEU  75           HB1      LEU  75  -4.275  -2.230   5.314
  551    HG   LEU  75           HG       LEU  75  -6.600  -2.845   4.854
  552   HD11  LEU  75          HD11      LEU  75  -7.217  -3.918   2.751
  553   HD12  LEU  75          HD12      LEU  75  -5.608  -3.598   2.104
  554   HD13  LEU  75          HD13      LEU  75  -6.688  -2.260   2.493
  555   HD21  LEU  75          HD21      LEU  75  -6.258  -5.257   4.604
  556   HD22  LEU  75          HD22      LEU  75  -5.066  -4.546   5.690
  557   HD23  LEU  75          HD23      LEU  75  -4.614  -4.965   4.037
  558    H    ASP  76           HN       ASP  76  -4.777   0.378   6.096
  559    HA   ASP  76           HA       ASP  76  -7.426   0.265   7.022
  560    HB2  ASP  76           HB2      ASP  76  -5.551   0.635   8.516
  561    HB3  ASP  76           HB1      ASP  76  -5.151   2.138   7.699
  562    H    LEU  77           HN       LEU  77  -5.621   2.735   5.338
  563    HA   LEU  77           HA       LEU  77  -7.591   4.723   5.181
  564    HB2  LEU  77           HB2      LEU  77  -5.361   4.019   3.301
  565    HB3  LEU  77           HB1      LEU  77  -6.316   5.470   3.200
  566    HG   LEU  77           HG       LEU  77  -4.429   4.768   5.474
  567   HD11  LEU  77          HD11      LEU  77  -4.208   6.713   3.217
  568   HD12  LEU  77          HD12      LEU  77  -3.310   5.207   3.406
  569   HD13  LEU  77          HD13      LEU  77  -3.079   6.519   4.554
  570   HD21  LEU  77          HD21      LEU  77  -5.991   7.296   4.899
  571   HD22  LEU  77          HD22      LEU  77  -4.838   7.047   6.210
  572   HD23  LEU  77          HD23      LEU  77  -6.359   6.151   6.192
  573    H    ILE  78           HN       ILE  78  -6.660   2.173   2.902
  574    HA   ILE  78           HA       ILE  78  -8.614   2.794   0.989
  575    HB   ILE  78           HB       ILE  78  -6.882   0.366   1.404
  576   HG12  ILE  78          HG12      ILE  78  -7.026   2.568  -0.647
  577   HG13  ILE  78          HG11      ILE  78  -5.757   2.270   0.532
  578   HG21  ILE  78          HG21      ILE  78  -7.675  -0.581  -0.710
  579   HG22  ILE  78          HG22      ILE  78  -8.919   0.668  -0.797
  580   HG23  ILE  78          HG23      ILE  78  -8.957  -0.522   0.501
  581   HD11  ILE  78          HD11      ILE  78  -5.001   0.342  -0.684
  582   HD12  ILE  78          HD12      ILE  78  -5.245   1.692  -1.853
  583   HD13  ILE  78          HD13      ILE  78  -6.431   0.411  -1.723
  584    H    ASN  79           HN       ASN  79  -8.680   0.795   3.784
  585    HA   ASN  79           HA       ASN  79 -11.104  -0.530   3.302
  586    HB2  ASN  79           HB2      ASN  79  -9.550   0.103   5.747
  587    HB3  ASN  79           HB1      ASN  79 -11.229  -0.359   5.965
  588   HD21  ASN  79          HD21      ASN  79  -9.165  -1.604   3.407
  589   HD22  ASN  79          HD22      ASN  79  -9.083  -3.224   4.006
  590    H    GLY  80           HN       GLY  80 -10.475   2.737   4.261
  591    HA2  GLY  80           HA2      GLY  80 -13.261   3.199   4.927
  592    HA3  GLY  80           HA1      GLY  80 -11.963   4.388   4.943
  593    H    ALA  81           HN       ALA  81 -11.019   3.778   2.295
  594    HA   ALA  81           HA       ALA  81 -12.734   5.573   0.899
  595    HB1  ALA  81           HB1      ALA  81 -11.088   5.438  -0.903
  596    HB2  ALA  81           HB2      ALA  81 -10.311   4.071  -0.110
  597    HB3  ALA  81           HB3      ALA  81 -10.291   5.662   0.652
  598    H    LEU  82           HN       LEU  82 -12.063   2.128   0.707
  599    HA   LEU  82           HA       LEU  82 -13.791   1.807  -1.553
  600    HB2  LEU  82           HB2      LEU  82 -12.338  -0.125   0.198
  601    HB3  LEU  82           HB1      LEU  82 -13.509  -0.674  -0.976
  602    HG   LEU  82           HG       LEU  82 -10.987   0.885  -1.616
  603   HD11  LEU  82          HD11      LEU  82 -10.564  -1.421  -0.869
  604   HD12  LEU  82          HD12      LEU  82 -10.159  -1.163  -2.551
  605   HD13  LEU  82          HD13      LEU  82 -11.654  -2.017  -2.127
  606   HD21  LEU  82          HD21      LEU  82 -13.046  -0.389  -3.413
  607   HD22  LEU  82          HD22      LEU  82 -11.553   0.393  -3.936
  608   HD23  LEU  82          HD23      LEU  82 -12.821   1.340  -3.161
  609    H    ALA  83           HN       ALA  83 -14.199   1.647   1.898
  610    HA   ALA  83           HA       ALA  83 -16.512   0.141   2.113
  611    HB1  ALA  83           HB1      ALA  83 -15.241   0.989   4.029
  612    HB2  ALA  83           HB2      ALA  83 -16.965   1.336   4.174
  613    HB3  ALA  83           HB3      ALA  83 -15.843   2.614   3.702
  614    H    GLU  84           HN       GLU  84 -16.197   3.455   1.031
  615    HA   GLU  84           HA       GLU  84 -19.054   3.887   1.029
  616    HB2  GLU  84           HB2      GLU  84 -18.467   6.074  -0.040
  617    HB3  GLU  84           HB1      GLU  84 -17.719   5.801   1.527
  618    HG2  GLU  84           HG2      GLU  84 -15.645   5.155   0.424
  619    HG3  GLU  84           HG1      GLU  84 -16.399   5.432  -1.143
  620    H    ALA  85           HN       ALA  85 -16.702   2.722  -1.200
  621    HA   ALA  85           HA       ALA  85 -18.298   3.274  -3.554
  622    HB1  ALA  85           HB1      ALA  85 -15.855   3.475  -3.660
  623    HB2  ALA  85           HB2      ALA  85 -16.451   2.250  -4.780
  624    HB3  ALA  85           HB3      ALA  85 -15.698   1.763  -3.260
  625    H    ALA  86           HN       ALA  86 -18.462   1.099  -1.185
  626    HA   ALA  86           HA       ALA  86 -19.032  -1.260  -2.732
  627    HB1  ALA  86           HB1      ALA  86 -19.386  -0.690   0.220
  628    HB2  ALA  86           HB2      ALA  86 -17.989  -1.471  -0.522
  629    HB3  ALA  86           HB3      ALA  86 -19.562  -2.268  -0.552
  630    H28  SXM  87          H28A      SXM  87   8.097  12.493   2.031
  631   H28A  SXM  87          H28B      SXM  87   8.247  13.077   0.372
  632    H30  SXM  87          H30A      SXM  87   5.587  11.206   2.083
  633   H30A  SXM  87          H30B      SXM  87   4.541  12.605   2.324
  634   H30B  SXM  87          H30C      SXM  87   6.103  12.509   3.158
  635    H31  SXM  87          H31C      SXM  87   5.136  14.786   1.295
  636   H31A  SXM  87          H31A      SXM  87   6.678  14.943   0.450
  637   H31B  SXM  87          H31B      SXM  87   6.650  14.724   2.200
  638    H32  SXM  87          H32A      SXM  87   4.441  12.984  -0.192
  639   HO33  SXM  87          H33A      SXM  87   6.141  10.820  -0.017
  640   HN36  SXM  87          H36A      SXM  87   5.297  11.294  -2.124
  641    H37  SXM  87          H37B      SXM  87   7.106  11.376  -3.984
  642   H37A  SXM  87          H37A      SXM  87   6.618  13.074  -4.087
  643    H38  SXM  87          H38A      SXM  87   4.828  10.680  -4.492
  644   H38A  SXM  87          H38B      SXM  87   4.317  12.356  -4.557
  645   HN41  SXM  87          H41A      SXM  87   3.519  11.327  -6.519
  646    H42  SXM  87          H42A      SXM  87   4.692  12.372  -8.809
  647   H42A  SXM  87          H42B      SXM  87   4.978  10.626  -8.771
  648    H43  SXM  87          H43A      SXM  87   2.291  11.983  -8.536
  649   H43A  SXM  87          H43B      SXM  87   2.574  10.233  -8.558
  650    H2   SXM  87           H2A      SXM  87  -0.390  10.880 -12.285
  651    H2A  SXM  87           H2B      SXM  87   1.143  10.225 -12.819
  Start of MODEL   13
    1    H1   MET   1           HT1      MET   1 -19.309  -6.884   0.833
    2    H2   MET   1           HT2      MET   1 -20.718  -6.761   1.715
    3    H3   MET   1           HT3      MET   1 -19.393  -5.777   2.118
    4    HA   MET   1           HA       MET   1 -21.018  -5.713  -0.359
    5    HB2  MET   1           HB2      MET   1 -22.147  -4.759   1.624
    6    HB3  MET   1           HB1      MET   1 -20.770  -3.704   1.893
    7    HG2  MET   1           HG2      MET   1 -22.559  -2.467   0.863
    8    HG3  MET   1           HG1      MET   1 -21.206  -2.606  -0.256
    9    HE1  MET   1           HE1      MET   1 -24.367  -2.615  -2.591
   10    HE2  MET   1           HE2      MET   1 -22.832  -1.828  -2.228
   11    HE3  MET   1           HE3      MET   1 -24.168  -1.725  -1.081
   12    H    ALA   2           HN       ALA   2 -18.372  -4.184   1.482
   13    HA   ALA   2           HA       ALA   2 -17.469  -2.790  -0.884
   14    HB1  ALA   2           HB1      ALA   2 -16.318  -2.935   1.901
   15    HB2  ALA   2           HB2      ALA   2 -17.396  -1.677   1.294
   16    HB3  ALA   2           HB3      ALA   2 -15.779  -1.857   0.613
   17    H    THR   3           HN       THR   3 -15.964  -3.547  -2.203
   18    HA   THR   3           HA       THR   3 -14.640  -6.062  -1.730
   19    HB   THR   3           HB       THR   3 -14.281  -4.009  -3.844
   20    HG1  THR   3           HG1      THR   3 -15.842  -5.154  -5.019
   21   HG21  THR   3          HG21      THR   3 -13.529  -5.921  -5.236
   22   HG22  THR   3          HG22      THR   3 -13.718  -6.973  -3.833
   23   HG23  THR   3          HG23      THR   3 -12.518  -5.680  -3.810
   24    H    LEU   4           HN       LEU   4 -12.899  -5.948  -0.305
   25    HA   LEU   4           HA       LEU   4 -11.310  -3.470  -0.299
   26    HB2  LEU   4           HB2      LEU   4 -11.469  -5.614   1.812
   27    HB3  LEU   4           HB1      LEU   4 -10.580  -4.112   1.921
   28    HG   LEU   4           HG       LEU   4 -13.562  -4.425   1.835
   29   HD11  LEU   4          HD11      LEU   4 -11.709  -3.603   4.052
   30   HD12  LEU   4          HD12      LEU   4 -12.611  -5.115   3.939
   31   HD13  LEU   4          HD13      LEU   4 -13.471  -3.589   4.133
   32   HD21  LEU   4          HD21      LEU   4 -13.624  -1.998   2.304
   33   HD22  LEU   4          HD22      LEU   4 -12.941  -2.376   0.724
   34   HD23  LEU   4          HD23      LEU   4 -11.876  -1.938   2.056
   35    H    LEU   5           HN       LEU   5  -8.950  -3.662  -0.175
   36    HA   LEU   5           HA       LEU   5  -7.880  -5.813  -1.598
   37    HB2  LEU   5           HB2      LEU   5  -6.643  -3.550  -0.005
   38    HB3  LEU   5           HB1      LEU   5  -5.733  -4.744  -0.905
   39    HG   LEU   5           HG       LEU   5  -5.753  -2.828  -2.144
   40   HD11  LEU   5          HD11      LEU   5  -6.997  -3.378  -4.160
   41   HD12  LEU   5          HD12      LEU   5  -7.917  -4.563  -3.243
   42   HD13  LEU   5          HD13      LEU   5  -6.173  -4.783  -3.469
   43   HD21  LEU   5          HD21      LEU   5  -7.747  -1.560  -2.775
   44   HD22  LEU   5          HD22      LEU   5  -7.468  -1.591  -1.032
   45   HD23  LEU   5          HD23      LEU   5  -8.719  -2.614  -1.743
   46    H    THR   6           HN       THR   6  -7.078  -7.655  -0.759
   47    HA   THR   6           HA       THR   6  -7.080  -7.852   2.122
   48    HB   THR   6           HB       THR   6  -6.577 -10.246   1.767
   49    HG1  THR   6           HG1      THR   6  -6.744  -9.648  -1.024
   50   HG21  THR   6          HG21      THR   6  -8.669 -10.887   0.638
   51   HG22  THR   6          HG22      THR   6  -8.829  -9.247   0.010
   52   HG23  THR   6          HG23      THR   6  -8.924  -9.539   1.748
   53    H    THR   7           HN       THR   7  -4.972  -9.439   2.715
   54    HA   THR   7           HA       THR   7  -2.799  -7.697   2.620
   55    HB   THR   7           HB       THR   7  -1.571  -9.767   3.486
   56    HG1  THR   7           HG1      THR   7  -2.611 -11.579   3.595
   57   HG21  THR   7          HG21      THR   7  -2.557  -8.079   4.972
   58   HG22  THR   7          HG22      THR   7  -2.734  -9.697   5.647
   59   HG23  THR   7          HG23      THR   7  -4.111  -8.907   4.880
   60    H    ASP   8           HN       ASP   8  -3.429 -10.763   0.959
   61    HA   ASP   8           HA       ASP   8  -1.141 -10.974  -0.590
   62    HB2  ASP   8           HB2      ASP   8  -2.734 -12.782  -0.429
   63    HB3  ASP   8           HB1      ASP   8  -3.964 -11.821  -1.238
   64    H    ASP   9           HN       ASP   9  -4.075  -9.153  -1.271
   65    HA   ASP   9           HA       ASP   9  -3.434  -8.447  -3.944
   66    HB2  ASP   9           HB2      ASP   9  -5.189  -6.928  -2.005
   67    HB3  ASP   9           HB1      ASP   9  -5.114  -6.667  -3.742
   68    H    LEU  10           HN       LEU  10  -3.232  -6.582  -0.946
   69    HA   LEU  10           HA       LEU  10  -2.043  -4.294  -2.057
   70    HB2  LEU  10           HB2      LEU  10  -3.176  -4.644   0.242
   71    HB3  LEU  10           HB1      LEU  10  -1.632  -5.247   0.779
   72    HG   LEU  10           HG       LEU  10  -2.180  -2.429  -0.196
   73   HD11  LEU  10          HD11      LEU  10  -3.251  -2.872   1.902
   74   HD12  LEU  10          HD12      LEU  10  -1.874  -1.794   2.133
   75   HD13  LEU  10          HD13      LEU  10  -1.742  -3.496   2.568
   76   HD21  LEU  10          HD21      LEU  10   0.317  -3.577   1.070
   77   HD22  LEU  10          HD22      LEU  10   0.037  -1.873   0.720
   78   HD23  LEU  10          HD23      LEU  10   0.161  -3.036  -0.602
   79    H    ARG  11           HN       ARG  11  -0.685  -7.171  -0.512
   80    HA   ARG  11           HA       ARG  11   2.007  -6.554  -0.364
   81    HB2  ARG  11           HB2      ARG  11   1.009  -8.640   0.504
   82    HB3  ARG  11           HB1      ARG  11   0.826  -9.221  -1.142
   83    HG2  ARG  11           HG2      ARG  11   3.326  -9.019  -1.385
   84    HG3  ARG  11           HG1      ARG  11   3.385  -8.704   0.350
   85    HD2  ARG  11           HD2      ARG  11   2.269 -11.170  -0.974
   86    HD3  ARG  11           HD1      ARG  11   3.815 -11.050  -0.133
   87    HE   ARG  11           HE       ARG  11   2.505 -10.539   1.885
   88   HH11  ARG  11          HH11      ARG  11   1.032 -12.376  -0.772
   89   HH12  ARG  11          HH12      ARG  11  -0.086 -13.190   0.211
   90   HH21  ARG  11          HH21      ARG  11   0.849 -11.683   3.258
   91   HH22  ARG  11          HH22      ARG  11  -0.236 -12.736   2.478
   92    H    ARG  12           HN       ARG  12   0.265  -8.041  -3.073
   93    HA   ARG  12           HA       ARG  12   2.650  -8.192  -4.558
   94    HB2  ARG  12           HB2      ARG  12  -0.189  -8.710  -5.386
   95    HB3  ARG  12           HB1      ARG  12   1.171  -8.885  -6.492
   96    HG2  ARG  12           HG2      ARG  12   0.940 -10.327  -3.857
   97    HG3  ARG  12           HG1      ARG  12   0.464 -11.011  -5.413
   98    HD2  ARG  12           HD2      ARG  12   2.658 -11.048  -6.200
   99    HD3  ARG  12           HD1      ARG  12   3.291  -9.955  -4.999
  100    HE   ARG  12           HE       ARG  12   2.248 -12.290  -3.823
  101   HH11  ARG  12          HH11      ARG  12   4.970 -11.093  -5.741
  102   HH12  ARG  12          HH12      ARG  12   6.148 -12.089  -5.045
  103   HH21  ARG  12          HH21      ARG  12   3.858 -13.761  -2.840
  104   HH22  ARG  12          HH22      ARG  12   5.476 -13.694  -3.382
  105    H    ALA  13           HN       ALA  13   0.086  -5.818  -4.615
  106    HA   ALA  13           HA       ALA  13   1.107  -4.408  -6.860
  107    HB1  ALA  13           HB1      ALA  13  -0.184  -2.497  -6.019
  108    HB2  ALA  13           HB2      ALA  13  -0.411  -3.323  -4.477
  109    HB3  ALA  13           HB3      ALA  13  -1.133  -3.981  -5.948
  110    H    LEU  14           HN       LEU  14   1.852  -4.433  -3.496
  111    HA   LEU  14           HA       LEU  14   3.635  -2.241  -3.352
  112    HB2  LEU  14           HB2      LEU  14   2.455  -3.291  -1.460
  113    HB3  LEU  14           HB1      LEU  14   3.389  -4.741  -1.689
  114    HG   LEU  14           HG       LEU  14   5.430  -3.442  -1.076
  115   HD11  LEU  14          HD11      LEU  14   3.404  -1.338  -0.328
  116   HD12  LEU  14          HD12      LEU  14   4.599  -1.208  -1.619
  117   HD13  LEU  14          HD13      LEU  14   5.124  -1.309   0.062
  118   HD21  LEU  14          HD21      LEU  14   4.296  -4.863   0.473
  119   HD22  LEU  14          HD22      LEU  14   3.165  -3.576   0.902
  120   HD23  LEU  14          HD23      LEU  14   4.884  -3.429   1.307
  121    H    VAL  15           HN       VAL  15   4.103  -5.744  -3.673
  122    HA   VAL  15           HA       VAL  15   6.893  -5.881  -3.852
  123    HB   VAL  15           HB       VAL  15   4.844  -7.627  -5.275
  124   HG11  VAL  15          HG11      VAL  15   7.054  -7.866  -6.271
  125   HG12  VAL  15          HG12      VAL  15   6.609  -9.313  -5.366
  126   HG13  VAL  15          HG13      VAL  15   7.749  -8.161  -4.679
  127   HG21  VAL  15          HG21      VAL  15   6.277  -8.007  -2.660
  128   HG22  VAL  15          HG22      VAL  15   5.198  -9.175  -3.427
  129   HG23  VAL  15          HG23      VAL  15   4.570  -7.625  -2.866
  130    H    GLU  16           HN       GLU  16   4.512  -5.652  -6.447
  131    HA   GLU  16           HA       GLU  16   6.164  -5.584  -8.668
  132    HB2  GLU  16           HB2      GLU  16   3.483  -4.332  -8.150
  133    HB3  GLU  16           HB1      GLU  16   4.242  -4.357  -9.734
  134    HG2  GLU  16           HG2      GLU  16   4.141  -6.730  -9.831
  135    HG3  GLU  16           HG1      GLU  16   3.655  -6.832  -8.141
  136    H    SER  17           HN       SER  17   5.402  -3.000  -6.429
  137    HA   SER  17           HA       SER  17   6.594  -1.013  -8.182
  138    HB2  SER  17           HB2      SER  17   5.301  -0.689  -5.477
  139    HB3  SER  17           HB1      SER  17   5.694   0.592  -6.626
  140    HG   SER  17           HG       SER  17   3.667  -1.325  -6.691
  141    H    ALA  18           HN       ALA  18   7.467  -3.031  -5.580
  142    HA   ALA  18           HA       ALA  18   9.345  -1.327  -4.258
  143    HB1  ALA  18           HB1      ALA  18   8.222  -3.173  -3.116
  144    HB2  ALA  18           HB2      ALA  18   9.978  -3.320  -3.022
  145    HB3  ALA  18           HB3      ALA  18   9.067  -4.323  -4.152
  146    H    GLY  19           HN       GLY  19   9.455  -3.107  -7.081
  147    HA2  GLY  19           HA2      GLY  19  11.794  -2.390  -8.102
  148    HA3  GLY  19           HA1      GLY  19  12.299  -3.660  -6.993
  149    H    GLU  20           HN       GLU  20  12.947  -5.123  -8.482
  150    HA   GLU  20           HA       GLU  20  10.932  -6.041 -10.404
  151    HB2  GLU  20           HB2      GLU  20  12.878  -4.902 -11.428
  152    HB3  GLU  20           HB1      GLU  20  13.940  -6.069 -10.657
  153    HG2  GLU  20           HG2      GLU  20  13.549  -6.523 -13.046
  154    HG3  GLU  20           HG1      GLU  20  13.040  -7.845 -11.997
  155    H    THR  21           HN       THR  21  10.820  -8.251 -10.800
  156    HA   THR  21           HA       THR  21  10.357 -10.301 -10.032
  157    HB   THR  21           HB       THR  21  12.476 -11.721  -9.764
  158    HG1  THR  21           HG1      THR  21  14.096 -10.416  -9.231
  159   HG21  THR  21          HG21      THR  21  12.131  -9.981 -12.197
  160   HG22  THR  21          HG22      THR  21  11.252 -11.472 -11.853
  161   HG23  THR  21          HG23      THR  21  12.993 -11.521 -12.155
  162    H    ASP  22           HN       ASP  22   9.485  -9.074  -8.143
  163    HA   ASP  22           HA       ASP  22   8.882  -9.023  -6.049
  164    HB2  ASP  22           HB2      ASP  22  10.644 -11.479  -5.639
  165    HB3  ASP  22           HB1      ASP  22   9.672 -10.741  -4.372
  166    H    GLY  23           HN       GLY  23   9.926  -7.091  -6.360
  167    HA2  GLY  23           HA2      GLY  23  12.425  -6.234  -5.573
  168    HA3  GLY  23           HA1      GLY  23  10.944  -5.303  -5.317
  169    H    THR  24           HN       THR  24   9.635  -6.573  -3.503
  170    HA   THR  24           HA       THR  24  11.253  -7.410  -1.291
  171    HB   THR  24           HB       THR  24   9.287  -5.074  -0.990
  172    HG1  THR  24           HG1      THR  24  11.967  -5.155  -1.674
  173   HG21  THR  24          HG21      THR  24  11.421  -6.185   0.844
  174   HG22  THR  24          HG22      THR  24   9.683  -6.431   1.026
  175   HG23  THR  24          HG23      THR  24  10.369  -4.817   1.206
  176    H    ASP  25           HN       ASP  25  10.242  -9.339  -1.564
  177    HA   ASP  25           HA       ASP  25   7.637  -9.705  -2.507
  178    HB2  ASP  25           HB2      ASP  25   7.801 -12.060  -1.978
  179    HB3  ASP  25           HB1      ASP  25   9.342 -11.509  -2.609
  180    H    LEU  26           HN       LEU  26   8.719  -9.732   0.864
  181    HA   LEU  26           HA       LEU  26   7.547  -9.591   2.796
  182    HB2  LEU  26           HB2      LEU  26   5.674  -8.102   0.957
  183    HB3  LEU  26           HB1      LEU  26   5.665  -8.000   2.716
  184    HG   LEU  26           HG       LEU  26   8.079  -7.311   1.073
  185   HD11  LEU  26          HD11      LEU  26   5.966  -5.446   2.115
  186   HD12  LEU  26          HD12      LEU  26   6.327  -5.825   0.419
  187   HD13  LEU  26          HD13      LEU  26   7.516  -4.990   1.398
  188   HD21  LEU  26          HD21      LEU  26   8.455  -7.924   3.337
  189   HD22  LEU  26          HD22      LEU  26   7.276  -6.716   3.888
  190   HD23  LEU  26          HD23      LEU  26   8.775  -6.197   3.083
  191    H    SER  27           HN       SER  27   7.162 -11.882   1.199
  192    HA   SER  27           HA       SER  27   4.413 -12.619   1.076
  193    HB2  SER  27           HB2      SER  27   6.258 -13.558  -0.410
  194    HB3  SER  27           HB1      SER  27   6.800 -14.478   0.988
  195    HG   SER  27           HG       SER  27   5.447 -15.713  -0.367
  196    H    GLY  28           HN       GLY  28   3.396 -12.582   2.872
  197    HA2  GLY  28           HA2      GLY  28   3.045 -14.347   4.741
  198    HA3  GLY  28           HA1      GLY  28   4.503 -13.544   5.356
  199    H    ASP  29           HN       ASP  29   2.957 -12.804   7.125
  200    HA   ASP  29           HA       ASP  29   1.201 -10.754   6.091
  201    HB2  ASP  29           HB2      ASP  29   0.556 -12.296   8.042
  202    HB3  ASP  29           HB1      ASP  29   1.612 -11.273   9.025
  203    H    PHE  30           HN       PHE  30   1.774  -8.834   5.798
  204    HA   PHE  30           HA       PHE  30   4.446  -8.053   6.700
  205    HB2  PHE  30           HB2      PHE  30   4.507  -6.652   4.668
  206    HB3  PHE  30           HB1      PHE  30   4.266  -8.364   4.329
  207    HD1  PHE  30           HD2      PHE  30   2.001  -9.178   3.693
  208    HD2  PHE  30           HD1      PHE  30   2.895  -5.038   4.028
  209    HE1  PHE  30           HE2      PHE  30   0.019  -8.642   2.351
  210    HE2  PHE  30           HE1      PHE  30   0.919  -4.501   2.691
  211    HZ   PHE  30           HZ       PHE  30  -0.603  -6.299   1.969
  212    H    LEU  31           HN       LEU  31   1.469  -7.351   7.765
  213    HA   LEU  31           HA       LEU  31   1.454  -4.515   7.458
  214    HB2  LEU  31           HB2      LEU  31  -0.222  -6.376   9.079
  215    HB3  LEU  31           HB1      LEU  31  -0.253  -4.667   9.446
  216    HG   LEU  31           HG       LEU  31  -0.948  -4.237   7.087
  217   HD11  LEU  31          HD11      LEU  31  -1.871  -6.039   5.768
  218   HD12  LEU  31          HD12      LEU  31  -1.281  -7.218   6.944
  219   HD13  LEU  31          HD13      LEU  31  -0.138  -6.239   6.020
  220   HD21  LEU  31          HD21      LEU  31  -2.550  -4.236   8.874
  221   HD22  LEU  31          HD22      LEU  31  -2.745  -5.988   8.750
  222   HD23  LEU  31          HD23      LEU  31  -3.273  -4.943   7.427
  223    H    ASP  32           HN       ASP  32   3.040  -6.575   9.620
  224    HA   ASP  32           HA       ASP  32   3.475  -4.462  11.555
  225    HB2  ASP  32           HB2      ASP  32   3.203  -6.832  12.294
  226    HB3  ASP  32           HB1      ASP  32   4.709  -7.230  11.477
  227    H    LEU  33           HN       LEU  33   4.841  -5.384   8.637
  228    HA   LEU  33           HA       LEU  33   7.522  -4.514   9.294
  229    HB2  LEU  33           HB2      LEU  33   6.286  -5.553   6.746
  230    HB3  LEU  33           HB1      LEU  33   7.874  -4.824   6.762
  231    HG   LEU  33           HG       LEU  33   8.129  -7.184   6.735
  232   HD11  LEU  33          HD11      LEU  33   9.428  -7.594   8.753
  233   HD12  LEU  33          HD12      LEU  33   8.725  -6.151   9.483
  234   HD13  LEU  33          HD13      LEU  33   9.745  -6.006   8.053
  235   HD21  LEU  33          HD21      LEU  33   7.270  -8.655   8.504
  236   HD22  LEU  33          HD22      LEU  33   5.978  -7.892   7.585
  237   HD23  LEU  33          HD23      LEU  33   6.386  -7.294   9.195
  238    H    ARG  34           HN       ARG  34   7.879  -2.497   9.468
  239    HA   ARG  34           HA       ARG  34   6.212  -0.453   8.346
  240    HB2  ARG  34           HB2      ARG  34   8.909  -0.289   9.695
  241    HB3  ARG  34           HB1      ARG  34   7.861   1.074   9.340
  242    HG2  ARG  34           HG2      ARG  34   6.195   0.243  10.887
  243    HG3  ARG  34           HG1      ARG  34   7.167  -1.201  11.190
  244    HD2  ARG  34           HD2      ARG  34   7.436   0.477  12.967
  245    HD3  ARG  34           HD1      ARG  34   8.951   0.166  12.115
  246    HE   ARG  34           HE       ARG  34   7.247   2.417  11.361
  247   HH11  ARG  34          HH11      ARG  34  10.320   1.306  12.799
  248   HH12  ARG  34          HH12      ARG  34  11.131   2.776  12.455
  249   HH21  ARG  34          HH21      ARG  34   8.351   4.381  10.999
  250   HH22  ARG  34          HH22      ARG  34   9.991   4.596  11.492
  251    H    PHE  35           HN       PHE  35   6.892   1.124   6.804
  252    HA   PHE  35           HA       PHE  35   8.302   0.003   4.625
  253    HB2  PHE  35           HB2      PHE  35   7.352   2.836   5.086
  254    HB3  PHE  35           HB1      PHE  35   8.132   2.314   3.596
  255    HD1  PHE  35           HD2      PHE  35   7.060   0.189   2.489
  256    HD2  PHE  35           HD1      PHE  35   5.047   2.755   5.204
  257    HE1  PHE  35           HE2      PHE  35   4.902  -0.608   1.630
  258    HE2  PHE  35           HE1      PHE  35   2.886   1.964   4.355
  259    HZ   PHE  35           HZ       PHE  35   2.808   0.282   2.564
  260    H    GLU  36           HN       GLU  36   9.272   2.076   7.201
  261    HA   GLU  36           HA       GLU  36  11.798   2.851   6.288
  262    HB2  GLU  36           HB2      GLU  36  10.736   3.775   8.280
  263    HB3  GLU  36           HB1      GLU  36  10.841   2.222   9.083
  264    HG2  GLU  36           HG2      GLU  36  13.289   2.375   9.026
  265    HG3  GLU  36           HG1      GLU  36  13.155   3.960   8.259
  266    H    ASP  37           HN       ASP  37  10.696  -0.103   7.879
  267    HA   ASP  37           HA       ASP  37  13.307  -1.164   8.330
  268    HB2  ASP  37           HB2      ASP  37  11.359  -1.836   9.708
  269    HB3  ASP  37           HB1      ASP  37  10.657  -2.629   8.302
  270    H    ILE  38           HN       ILE  38  10.931  -1.441   5.802
  271    HA   ILE  38           HA       ILE  38  12.576  -3.395   4.427
  272    HB   ILE  38           HB       ILE  38  10.764  -3.579   2.764
  273   HG12  ILE  38          HG12      ILE  38   9.329  -1.530   4.479
  274   HG13  ILE  38          HG11      ILE  38   9.933  -1.260   2.849
  275   HG21  ILE  38          HG21      ILE  38   9.815  -3.768   5.622
  276   HG22  ILE  38          HG22      ILE  38  10.706  -5.002   4.730
  277   HG23  ILE  38          HG23      ILE  38   9.068  -4.569   4.240
  278   HD11  ILE  38          HD11      ILE  38   7.762  -3.196   3.632
  279   HD12  ILE  38          HD12      ILE  38   8.354  -2.918   1.995
  280   HD13  ILE  38          HD13      ILE  38   7.523  -1.627   2.865
  281    H    GLY  39           HN       GLY  39  13.118  -0.415   4.788
  282    HA2  GLY  39           HA2      GLY  39  14.235   1.251   3.661
  283    HA3  GLY  39           HA1      GLY  39  14.787  -0.036   2.605
  284    H    TYR  40           HN       TYR  40  11.588   1.352   3.117
  285    HA   TYR  40           HA       TYR  40  11.261   1.562   0.213
  286    HB2  TYR  40           HB2      TYR  40   9.612   0.662   2.312
  287    HB3  TYR  40           HB1      TYR  40   8.983   2.230   1.810
  288    HD1  TYR  40           HD1      TYR  40   9.892  -1.096   0.511
  289    HD2  TYR  40           HD2      TYR  40   7.661   2.466  -0.029
  290    HE1  TYR  40           HE1      TYR  40   8.706  -2.141  -1.361
  291    HE2  TYR  40           HE2      TYR  40   6.467   1.444  -1.910
  292    HH   TYR  40           HH       TYR  40   6.547  -1.826  -2.673
  293    H    ASP  41           HN       ASP  41  11.018   3.504  -0.746
  294    HA   ASP  41           HA       ASP  41  10.809   5.907   0.958
  295    HB2  ASP  41           HB2      ASP  41  11.915   5.659  -1.876
  296    HB3  ASP  41           HB1      ASP  41  11.608   7.195  -1.086
  297    H    SER  42           HN       SER  42   9.589   7.763  -0.431
  298    HA   SER  42           HA       SER  42   6.965   6.710  -0.679
  299    HB2  SER  42           HB2      SER  42   7.628   9.369  -1.874
  300    HB3  SER  42           HB1      SER  42   6.198   8.840  -1.013
  301    H    LEU  43           HN       LEU  43   9.500   7.177  -2.988
  302    HA   LEU  43           HA       LEU  43   8.065   7.546  -5.337
  303    HB2  LEU  43           HB2      LEU  43  10.587   7.624  -5.016
  304    HB3  LEU  43           HB1      LEU  43  10.584   5.880  -5.055
  305    HG   LEU  43           HG       LEU  43  11.367   6.922  -7.158
  306   HD11  LEU  43          HD11      LEU  43  10.452   4.691  -7.300
  307   HD12  LEU  43          HD12      LEU  43  10.054   5.618  -8.745
  308   HD13  LEU  43          HD13      LEU  43   8.829   5.349  -7.504
  309   HD21  LEU  43          HD21      LEU  43   9.765   8.027  -8.651
  310   HD22  LEU  43          HD22      LEU  43  10.008   8.917  -7.148
  311   HD23  LEU  43          HD23      LEU  43   8.547   7.955  -7.376
  312    H    ALA  44           HN       ALA  44   9.194   4.436  -4.010
  313    HA   ALA  44           HA       ALA  44   7.608   2.889  -5.803
  314    HB1  ALA  44           HB1      ALA  44   8.323   0.975  -4.488
  315    HB2  ALA  44           HB2      ALA  44   8.833   2.033  -3.175
  316    HB3  ALA  44           HB3      ALA  44   9.693   2.063  -4.714
  317    H    LEU  45           HN       LEU  45   7.067   4.310  -2.712
  318    HA   LEU  45           HA       LEU  45   4.877   2.702  -1.920
  319    HB2  LEU  45           HB2      LEU  45   6.263   3.914  -0.329
  320    HB3  LEU  45           HB1      LEU  45   5.741   5.437  -1.008
  321    HG   LEU  45           HG       LEU  45   3.518   5.142  -0.108
  322   HD11  LEU  45          HD11      LEU  45   4.511   2.462   0.876
  323   HD12  LEU  45          HD12      LEU  45   3.344   2.716  -0.421
  324   HD13  LEU  45          HD13      LEU  45   2.941   3.181   1.232
  325   HD21  LEU  45          HD21      LEU  45   5.641   4.446   1.919
  326   HD22  LEU  45          HD22      LEU  45   4.055   5.129   2.274
  327   HD23  LEU  45          HD23      LEU  45   5.236   6.071   1.362
  328    H    MET  46           HN       MET  46   5.056   5.881  -3.481
  329    HA   MET  46           HA       MET  46   2.265   6.381  -3.652
  330    HB2  MET  46           HB2      MET  46   4.440   7.245  -5.568
  331    HB3  MET  46           HB1      MET  46   2.815   7.896  -5.511
  332    HG2  MET  46           HG2      MET  46   4.866   8.120  -3.332
  333    HG3  MET  46           HG1      MET  46   4.493   9.332  -4.558
  334    HE1  MET  46           HE1      MET  46   2.098  10.625  -4.599
  335    HE2  MET  46           HE2      MET  46   0.795  10.284  -3.461
  336    HE3  MET  46           HE3      MET  46   1.270   9.069  -4.648
  337    H    GLU  47           HN       GLU  47   4.603   4.871  -5.749
  338    HA   GLU  47           HA       GLU  47   3.062   4.281  -7.963
  339    HB2  GLU  47           HB2      GLU  47   5.483   4.212  -7.743
  340    HB3  GLU  47           HB1      GLU  47   5.373   2.806  -6.712
  341    HG2  GLU  47           HG2      GLU  47   6.042   2.199  -9.003
  342    HG3  GLU  47           HG1      GLU  47   4.530   1.442  -8.517
  343    H    THR  48           HN       THR  48   3.655   2.411  -5.029
  344    HA   THR  48           HA       THR  48   2.072   0.164  -5.544
  345    HB   THR  48           HB       THR  48   2.732   1.554  -2.932
  346    HG1  THR  48           HG1      THR  48   4.595   0.798  -3.993
  347   HG21  THR  48          HG21      THR  48   1.702  -1.249  -3.402
  348   HG22  THR  48          HG22      THR  48   0.815   0.068  -2.622
  349   HG23  THR  48          HG23      THR  48   2.265  -0.601  -1.862
  350    H    ALA  49           HN       ALA  49   1.290   3.082  -3.623
  351    HA   ALA  49           HA       ALA  49  -1.351   2.498  -3.037
  352    HB1  ALA  49           HB1      ALA  49  -0.129   5.232  -3.411
  353    HB2  ALA  49           HB2      ALA  49  -0.060   4.265  -1.935
  354    HB3  ALA  49           HB3      ALA  49  -1.611   4.863  -2.523
  355    H    ALA  50           HN       ALA  50  -0.076   4.445  -5.716
  356    HA   ALA  50           HA       ALA  50  -2.465   5.280  -6.855
  357    HB1  ALA  50           HB1      ALA  50  -0.264   6.183  -7.447
  358    HB2  ALA  50           HB2      ALA  50  -1.189   5.710  -8.873
  359    HB3  ALA  50           HB3      ALA  50   0.118   4.681  -8.289
  360    H    ARG  51           HN       ARG  51  -0.810   2.274  -7.169
  361    HA   ARG  51           HA       ARG  51  -2.168   1.346  -9.486
  362    HB2  ARG  51           HB2      ARG  51   0.046   0.554  -8.613
  363    HB3  ARG  51           HB1      ARG  51  -0.820  -0.263  -7.325
  364    HG2  ARG  51           HG2      ARG  51  -1.791  -1.788  -8.813
  365    HG3  ARG  51           HG1      ARG  51  -1.342  -0.816 -10.222
  366    HD2  ARG  51           HD2      ARG  51   0.549  -2.238  -8.351
  367    HD3  ARG  51           HD1      ARG  51   0.169  -2.704 -10.011
  368    HE   ARG  51           HE       ARG  51   1.200  -0.015  -9.722
  369   HH11  ARG  51          HH11      ARG  51   2.046  -3.419 -10.388
  370   HH12  ARG  51          HH12      ARG  51   3.545  -3.029 -11.061
  371   HH21  ARG  51          HH21      ARG  51   3.361   0.500 -10.634
  372   HH22  ARG  51          HH22      ARG  51   4.331  -0.796 -11.133
  373    H    LEU  52           HN       LEU  52  -2.632   0.997  -6.033
  374    HA   LEU  52           HA       LEU  52  -4.905  -0.730  -6.264
  375    HB2  LEU  52           HB2      LEU  52  -3.909   0.919  -3.942
  376    HB3  LEU  52           HB1      LEU  52  -5.190  -0.271  -3.849
  377    HG   LEU  52           HG       LEU  52  -2.306  -0.853  -4.528
  378   HD11  LEU  52          HD11      LEU  52  -2.584  -0.203  -2.205
  379   HD12  LEU  52          HD12      LEU  52  -2.232  -1.928  -2.341
  380   HD13  LEU  52          HD13      LEU  52  -3.879  -1.388  -2.016
  381   HD21  LEU  52          HD21      LEU  52  -4.637  -2.718  -4.063
  382   HD22  LEU  52          HD22      LEU  52  -2.961  -3.205  -4.309
  383   HD23  LEU  52          HD23      LEU  52  -3.847  -2.410  -5.609
  384    H    GLU  53           HN       GLU  53  -4.392   2.713  -5.714
  385    HA   GLU  53           HA       GLU  53  -7.020   3.539  -5.239
  386    HB2  GLU  53           HB2      GLU  53  -4.963   5.128  -6.791
  387    HB3  GLU  53           HB1      GLU  53  -6.418   5.660  -5.956
  388    HG2  GLU  53           HG2      GLU  53  -5.491   5.295  -3.847
  389    HG3  GLU  53           HG1      GLU  53  -4.074   4.487  -4.538
  390    H    SER  54           HN       SER  54  -5.267   3.533  -8.319
  391    HA   SER  54           HA       SER  54  -7.402   4.554  -9.851
  392    HB2  SER  54           HB2      SER  54  -5.027   2.970 -10.841
  393    HB3  SER  54           HB1      SER  54  -5.995   4.127 -11.756
  394    HG   SER  54           HG       SER  54  -4.202   4.606  -9.620
  395    H    ARG  55           HN       ARG  55  -6.441   1.285  -9.063
  396    HA   ARG  55           HA       ARG  55  -8.103   0.127 -11.107
  397    HB2  ARG  55           HB2      ARG  55  -6.004  -0.937 -10.565
  398    HB3  ARG  55           HB1      ARG  55  -6.472  -1.100  -8.884
  399    HG2  ARG  55           HG2      ARG  55  -8.188  -2.723  -9.523
  400    HG3  ARG  55           HG1      ARG  55  -7.735  -2.533 -11.219
  401    HD2  ARG  55           HD2      ARG  55  -5.545  -3.420 -10.805
  402    HD3  ARG  55           HD1      ARG  55  -5.812  -3.394  -9.066
  403    HE   ARG  55           HE       ARG  55  -7.767  -5.004 -10.242
  404   HH11  ARG  55          HH11      ARG  55  -4.235  -5.130 -10.083
  405   HH12  ARG  55          HH12      ARG  55  -4.170  -6.781  -9.621
  406   HH21  ARG  55          HH21      ARG  55  -7.653  -7.320  -9.651
  407   HH22  ARG  55          HH22      ARG  55  -6.115  -8.034  -9.437
  408    H    TYR  56           HN       TYR  56  -8.361   0.716  -7.634
  409    HA   TYR  56           HA       TYR  56 -10.858  -0.786  -7.693
  410    HB2  TYR  56           HB2      TYR  56  -9.130  -0.056  -5.329
  411    HB3  TYR  56           HB1      TYR  56 -10.696  -0.860  -5.199
  412    HD1  TYR  56           HD2      TYR  56  -7.241  -1.228  -6.458
  413    HD2  TYR  56           HD1      TYR  56 -10.947  -3.181  -5.724
  414    HE1  TYR  56           HE2      TYR  56  -6.151  -3.413  -6.768
  415    HE2  TYR  56           HE1      TYR  56  -9.872  -5.361  -6.023
  416    HH   TYR  56           HH       TYR  56  -7.997  -6.349  -6.985
  417    H    GLY  57           HN       GLY  57  -9.768   2.484  -7.321
  418    HA2  GLY  57           HA2      GLY  57 -11.361   4.177  -7.817
  419    HA3  GLY  57           HA1      GLY  57 -12.606   3.174  -7.098
  420    H    VAL  58           HN       VAL  58  -9.463   4.204  -5.816
  421    HA   VAL  58           HA       VAL  58 -10.913   5.837  -3.884
  422    HB   VAL  58           HB       VAL  58  -9.456   5.203  -2.006
  423   HG11  VAL  58          HG11      VAL  58 -11.544   4.001  -2.283
  424   HG12  VAL  58          HG12      VAL  58 -10.278   2.962  -1.600
  425   HG13  VAL  58          HG13      VAL  58 -10.696   2.836  -3.311
  426   HG21  VAL  58          HG21      VAL  58  -8.355   3.077  -3.812
  427   HG22  VAL  58          HG22      VAL  58  -7.958   3.322  -2.112
  428   HG23  VAL  58          HG23      VAL  58  -7.478   4.532  -3.307
  429    H    SER  59           HN       SER  59  -9.137   7.202  -2.569
  430    HA   SER  59           HA       SER  59  -7.008   7.911  -4.364
  431    HB2  SER  59           HB2      SER  59  -9.087   9.343  -4.842
  432    HB3  SER  59           HB1      SER  59  -8.901   9.984  -3.214
  433    HG   SER  59           HG       SER  59  -6.996  10.045  -5.283
  434    H    ILE  60           HN       ILE  60  -5.259   8.103  -3.191
  435    HA   ILE  60           HA       ILE  60  -5.506   8.497  -0.287
  436    HB   ILE  60           HB       ILE  60  -3.202   7.249  -1.842
  437   HG12  ILE  60          HG12      ILE  60  -5.126   5.759  -1.882
  438   HG13  ILE  60          HG11      ILE  60  -3.892   5.102  -0.815
  439   HG21  ILE  60          HG21      ILE  60  -2.300   6.583   0.364
  440   HG22  ILE  60          HG22      ILE  60  -3.611   7.444   1.150
  441   HG23  ILE  60          HG23      ILE  60  -2.422   8.331   0.202
  442   HD11  ILE  60          HD11      ILE  60  -6.122   4.821   0.120
  443   HD12  ILE  60          HD12      ILE  60  -6.386   6.564   0.046
  444   HD13  ILE  60          HD13      ILE  60  -5.155   5.903   1.123
  445    HA   PRO  61           HA       PRO  61  -4.062  12.647  -1.375
  446    HB2  PRO  61           HB2      PRO  61  -3.604  12.524   1.575
  447    HB3  PRO  61           HB1      PRO  61  -4.353  13.803   0.609
  448    HG2  PRO  61           HG2      PRO  61  -5.880  12.185   2.027
  449    HG3  PRO  61           HG1      PRO  61  -6.356  12.635   0.378
  450    HD2  PRO  61           HD2      PRO  61  -5.185  10.084   1.384
  451    HD3  PRO  61           HD1      PRO  61  -6.413  10.342   0.127
  452    H    ASP  62           HN       ASP  62  -2.101  13.275  -1.907
  453    HA   ASP  62           HA       ASP  62   0.196  11.715  -1.955
  454    HB2  ASP  62           HB2      ASP  62   0.011  14.737  -1.967
  455    HB3  ASP  62           HB1      ASP  62   1.474  13.842  -2.333
  456    H    ASP  63           HN       ASP  63  -0.580  14.225   0.393
  457    HA   ASP  63           HA       ASP  63   1.758  14.225   1.916
  458    HB2  ASP  63           HB2      ASP  63  -1.050  14.626   2.955
  459    HB3  ASP  63           HB1      ASP  63   0.437  15.208   3.684
  460    H    VAL  64           HN       VAL  64  -1.193  12.349   2.240
  461    HA   VAL  64           HA       VAL  64  -0.328  11.023   4.634
  462    HB   VAL  64           HB       VAL  64  -2.713  10.382   2.865
  463   HG11  VAL  64          HG11      VAL  64  -2.152   9.662   5.741
  464   HG12  VAL  64          HG12      VAL  64  -2.129   8.556   4.368
  465   HG13  VAL  64          HG13      VAL  64  -3.643   9.313   4.862
  466   HG21  VAL  64          HG21      VAL  64  -4.031  11.706   4.461
  467   HG22  VAL  64          HG22      VAL  64  -2.816  12.686   3.644
  468   HG23  VAL  64          HG23      VAL  64  -2.548  12.156   5.305
  469    H    ALA  65           HN       ALA  65  -0.491  10.287   1.205
  470    HA   ALA  65           HA       ALA  65   0.067   7.547   1.285
  471    HB1  ALA  65           HB1      ALA  65   0.773   7.793  -1.027
  472    HB2  ALA  65           HB2      ALA  65   0.878   9.536  -0.827
  473    HB3  ALA  65           HB3      ALA  65  -0.695   8.730  -0.733
  474    H    GLY  66           HN       GLY  66   2.179  10.344   1.385
  475    HA2  GLY  66           HA2      GLY  66   4.520   8.599   1.490
  476    HA3  GLY  66           HA1      GLY  66   4.533  10.359   1.429
  477    H    ARG  67           HN       ARG  67   2.317   9.145   3.656
  478    HA   ARG  67           HA       ARG  67   4.194   9.714   5.857
  479    HB2  ARG  67           HB2      ARG  67   2.371  11.402   5.446
  480    HB3  ARG  67           HB1      ARG  67   1.212  10.160   5.879
  481    HG2  ARG  67           HG2      ARG  67   2.247  10.021   8.113
  482    HG3  ARG  67           HG1      ARG  67   3.334  11.338   7.659
  483    HD2  ARG  67           HD2      ARG  67   1.337  12.740   7.204
  484    HD3  ARG  67           HD1      ARG  67   0.328  11.434   7.828
  485    HE   ARG  67           HE       ARG  67   2.377  12.826   9.402
  486   HH11  ARG  67          HH11      ARG  67  -0.861  11.369   9.141
  487   HH12  ARG  67          HH12      ARG  67  -1.330  11.771  10.723
  488   HH21  ARG  67          HH21      ARG  67   1.730  13.341  11.609
  489   HH22  ARG  67          HH22      ARG  67   0.188  12.876  12.175
  490    H    VAL  68           HN       VAL  68   1.920   7.472   4.525
  491    HA   VAL  68           HA       VAL  68   1.263   6.029   6.824
  492    HB   VAL  68           HB       VAL  68   0.859   4.059   5.231
  493   HG11  VAL  68          HG11      VAL  68  -0.419   6.707   4.608
  494   HG12  VAL  68          HG12      VAL  68  -0.893   5.590   5.887
  495   HG13  VAL  68          HG13      VAL  68  -1.086   5.129   4.196
  496   HG21  VAL  68          HG21      VAL  68   2.454   4.657   3.448
  497   HG22  VAL  68          HG22      VAL  68   1.541   6.143   3.150
  498   HG23  VAL  68          HG23      VAL  68   0.801   4.590   2.820
  499    H    ASP  69           HN       ASP  69   2.607   5.300   8.201
  500    HA   ASP  69           HA       ASP  69   5.309   4.632   7.620
  501    HB2  ASP  69           HB2      ASP  69   4.624   5.636   9.762
  502    HB3  ASP  69           HB1      ASP  69   3.723   4.180  10.149
  503    H    THR  70           HN       THR  70   2.426   2.725   8.295
  504    HA   THR  70           HA       THR  70   3.973   0.334   7.591
  505    HB   THR  70           HB       THR  70   2.272  -0.927   8.909
  506    HG1  THR  70           HG1      THR  70   1.525   1.557  10.041
  507   HG21  THR  70          HG21      THR  70   4.411  -0.331   9.944
  508   HG22  THR  70          HG22      THR  70   3.097  -0.262  11.133
  509   HG23  THR  70          HG23      THR  70   3.732   1.226  10.427
  510    HA   PRO  71           HA       PRO  71   1.139  -0.335   4.170
  511    HB2  PRO  71           HB2      PRO  71   1.098  -3.191   5.000
  512    HB3  PRO  71           HB1      PRO  71   1.573  -2.484   3.448
  513    HG2  PRO  71           HG2      PRO  71   3.401  -3.461   5.105
  514    HG3  PRO  71           HG1      PRO  71   3.709  -1.965   4.199
  515    HD2  PRO  71           HD2      PRO  71   2.911  -2.317   7.061
  516    HD3  PRO  71           HD1      PRO  71   4.113  -1.213   6.356
  517    H    ARG  72           HN       ARG  72   0.586  -1.463   7.336
  518    HA   ARG  72           HA       ARG  72  -2.036  -2.386   7.374
  519    HB2  ARG  72           HB2      ARG  72  -0.451  -2.483   9.251
  520    HB3  ARG  72           HB1      ARG  72  -0.535  -0.739   9.416
  521    HG2  ARG  72           HG2      ARG  72  -2.989  -1.024   9.907
  522    HG3  ARG  72           HG1      ARG  72  -2.678  -2.763   9.991
  523    HD2  ARG  72           HD2      ARG  72  -2.569  -1.867  12.210
  524    HD3  ARG  72           HD1      ARG  72  -0.935  -2.306  11.699
  525    HE   ARG  72           HE       ARG  72  -1.904   0.445  11.428
  526   HH11  ARG  72          HH11      ARG  72   0.573  -1.773  12.672
  527   HH12  ARG  72          HH12      ARG  72   1.497  -0.554  13.406
  528   HH21  ARG  72          HH21      ARG  72  -0.641   2.125  12.524
  529   HH22  ARG  72          HH22      ARG  72   0.782   1.703  13.327
  530    H    GLU  73           HN       GLU  73  -0.672   0.852   7.776
  531    HA   GLU  73           HA       GLU  73  -3.145   2.166   8.135
  532    HB2  GLU  73           HB2      GLU  73  -0.435   3.260   7.425
  533    HB3  GLU  73           HB1      GLU  73  -1.803   4.222   7.954
  534    HG2  GLU  73           HG2      GLU  73  -0.341   2.139   9.535
  535    HG3  GLU  73           HG1      GLU  73  -0.292   3.881   9.771
  536    H    LEU  74           HN       LEU  74  -1.150   1.504   5.333
  537    HA   LEU  74           HA       LEU  74  -2.430   3.295   3.516
  538    HB2  LEU  74           HB2      LEU  74  -0.215   1.779   3.262
  539    HB3  LEU  74           HB1      LEU  74  -1.390   0.640   2.633
  540    HG   LEU  74           HG       LEU  74  -0.899   3.354   1.417
  541   HD11  LEU  74          HD11      LEU  74   1.083   1.978   1.245
  542   HD12  LEU  74          HD12      LEU  74   0.303   2.143  -0.327
  543   HD13  LEU  74          HD13      LEU  74   0.126   0.648   0.591
  544   HD21  LEU  74          HD21      LEU  74  -3.122   2.424   0.924
  545   HD22  LEU  74          HD22      LEU  74  -2.377   0.928   0.375
  546   HD23  LEU  74          HD23      LEU  74  -2.100   2.432  -0.514
  547    H    LEU  75           HN       LEU  75  -2.903  -0.086   4.403
  548    HA   LEU  75           HA       LEU  75  -5.085  -0.613   2.711
  549    HB2  LEU  75           HB2      LEU  75  -3.729  -2.358   3.784
  550    HB3  LEU  75           HB1      LEU  75  -4.340  -1.875   5.350
  551    HG   LEU  75           HG       LEU  75  -6.589  -2.583   4.716
  552   HD11  LEU  75          HD11      LEU  75  -5.322  -3.460   2.120
  553   HD12  LEU  75          HD12      LEU  75  -6.453  -2.123   2.328
  554   HD13  LEU  75          HD13      LEU  75  -6.987  -3.772   2.625
  555   HD21  LEU  75          HD21      LEU  75  -4.479  -4.682   4.208
  556   HD22  LEU  75          HD22      LEU  75  -6.162  -4.993   4.635
  557   HD23  LEU  75          HD23      LEU  75  -5.094  -4.187   5.785
  558    H    ASP  76           HN       ASP  76  -4.841   0.578   6.006
  559    HA   ASP  76           HA       ASP  76  -7.537   0.490   6.761
  560    HB2  ASP  76           HB2      ASP  76  -5.813   0.883   8.409
  561    HB3  ASP  76           HB1      ASP  76  -5.327   2.371   7.605
  562    H    LEU  77           HN       LEU  77  -5.665   3.001   5.226
  563    HA   LEU  77           HA       LEU  77  -7.566   5.006   4.963
  564    HB2  LEU  77           HB2      LEU  77  -5.331   4.160   3.159
  565    HB3  LEU  77           HB1      LEU  77  -6.264   5.606   2.901
  566    HG   LEU  77           HG       LEU  77  -4.484   5.041   5.279
  567   HD11  LEU  77          HD11      LEU  77  -3.092   6.778   4.317
  568   HD12  LEU  77          HD12      LEU  77  -4.178   6.889   2.931
  569   HD13  LEU  77          HD13      LEU  77  -3.265   5.407   3.222
  570   HD21  LEU  77          HD21      LEU  77  -6.041   7.515   4.519
  571   HD22  LEU  77          HD22      LEU  77  -4.918   7.366   5.870
  572   HD23  LEU  77          HD23      LEU  77  -6.419   6.438   5.865
  573    H    ILE  78           HN       ILE  78  -6.737   2.389   2.719
  574    HA   ILE  78           HA       ILE  78  -8.731   3.192   0.873
  575    HB   ILE  78           HB       ILE  78  -7.177   0.588   0.948
  576   HG12  ILE  78          HG12      ILE  78  -6.759   3.175  -0.552
  577   HG13  ILE  78          HG11      ILE  78  -5.675   2.431   0.621
  578   HG21  ILE  78          HG21      ILE  78  -8.856   1.803  -1.244
  579   HG22  ILE  78          HG22      ILE  78  -9.262   0.369  -0.302
  580   HG23  ILE  78          HG23      ILE  78  -7.873   0.346  -1.392
  581   HD11  ILE  78          HD11      ILE  78  -6.426   1.302  -2.038
  582   HD12  ILE  78          HD12      ILE  78  -5.240   0.605  -0.918
  583   HD13  ILE  78          HD13      ILE  78  -4.925   2.170  -1.717
  584    H    ASN  79           HN       ASN  79  -8.590   0.839   3.435
  585    HA   ASN  79           HA       ASN  79 -10.960  -0.552   2.964
  586    HB2  ASN  79           HB2      ASN  79  -9.644   0.240   5.558
  587    HB3  ASN  79           HB1      ASN  79 -11.108  -0.716   5.513
  588   HD21  ASN  79          HD21      ASN  79 -10.244  -2.331   3.182
  589   HD22  ASN  79          HD22      ASN  79  -9.021  -3.361   3.820
  590    H    GLY  80           HN       GLY  80 -10.471   2.390   4.824
  591    HA2  GLY  80           HA2      GLY  80 -13.200   2.793   5.398
  592    HA3  GLY  80           HA1      GLY  80 -11.943   4.022   5.453
  593    H    ALA  81           HN       ALA  81 -11.178   3.815   2.708
  594    HA   ALA  81           HA       ALA  81 -13.089   5.631   1.639
  595    HB1  ALA  81           HB1      ALA  81 -10.686   5.855   1.197
  596    HB2  ALA  81           HB2      ALA  81 -11.613   5.748  -0.299
  597    HB3  ALA  81           HB3      ALA  81 -10.716   4.346   0.285
  598    H    LEU  82           HN       LEU  82 -12.168   2.309   0.867
  599    HA   LEU  82           HA       LEU  82 -14.010   2.013  -1.252
  600    HB2  LEU  82           HB2      LEU  82 -12.441   0.057   0.397
  601    HB3  LEU  82           HB1      LEU  82 -13.617  -0.502  -0.762
  602    HG   LEU  82           HG       LEU  82 -11.100   1.115  -1.450
  603   HD11  LEU  82          HD11      LEU  82 -11.783  -1.764  -1.908
  604   HD12  LEU  82          HD12      LEU  82 -10.622  -1.141  -0.737
  605   HD13  LEU  82          HD13      LEU  82 -10.340  -0.920  -2.459
  606   HD21  LEU  82          HD21      LEU  82 -13.197  -0.158  -3.225
  607   HD22  LEU  82          HD22      LEU  82 -11.727   0.664  -3.753
  608   HD23  LEU  82          HD23      LEU  82 -13.009   1.576  -2.958
  609    H    ALA  83           HN       ALA  83 -14.229   1.569   2.211
  610    HA   ALA  83           HA       ALA  83 -16.611   0.112   2.341
  611    HB1  ALA  83           HB1      ALA  83 -16.818   0.960   4.618
  612    HB2  ALA  83           HB2      ALA  83 -15.603   2.195   4.281
  613    HB3  ALA  83           HB3      ALA  83 -15.151   0.489   4.278
  614    H    GLU  84           HN       GLU  84 -16.025   3.527   1.818
  615    HA   GLU  84           HA       GLU  84 -18.921   3.980   1.812
  616    HB2  GLU  84           HB2      GLU  84 -16.715   6.035   1.661
  617    HB3  GLU  84           HB1      GLU  84 -18.432   6.352   1.844
  618    HG2  GLU  84           HG2      GLU  84 -18.353   5.182   4.033
  619    HG3  GLU  84           HG1      GLU  84 -16.608   5.048   3.845
  620    H    ALA  85           HN       ALA  85 -16.690   3.005  -0.311
  621    HA   ALA  85           HA       ALA  85 -17.143   4.818  -2.474
  622    HB1  ALA  85           HB1      ALA  85 -15.941   2.048  -2.535
  623    HB2  ALA  85           HB2      ALA  85 -15.047   3.552  -2.313
  624    HB3  ALA  85           HB3      ALA  85 -15.881   3.237  -3.836
  625    H    ALA  86           HN       ALA  86 -18.736   4.848  -3.781
  626    HA   ALA  86           HA       ALA  86 -20.636   2.632  -3.755
  627    HB1  ALA  86           HB1      ALA  86 -21.548   4.837  -3.190
  628    HB2  ALA  86           HB2      ALA  86 -22.224   4.250  -4.708
  629    HB3  ALA  86           HB3      ALA  86 -20.956   5.477  -4.723
  630    H28  SXM  87          H28A      SXM  87   7.075  11.415  -1.607
  631   H28A  SXM  87          H28B      SXM  87   8.106  12.728  -1.011
  632    H30  SXM  87          H30A      SXM  87   8.855  10.422  -3.762
  633   H30A  SXM  87          H30B      SXM  87   8.269  11.452  -5.066
  634   H30B  SXM  87          H30C      SXM  87   7.129  10.740  -3.923
  635    H31  SXM  87          H31C      SXM  87   6.215  12.990  -3.400
  636   H31A  SXM  87          H31A      SXM  87   7.357  13.760  -4.502
  637   H31B  SXM  87          H31B      SXM  87   7.286  14.269  -2.818
  638    H32  SXM  87          H32A      SXM  87  10.425  12.318  -2.877
  639   HO33  SXM  87          H33A      SXM  87  10.424  13.947  -1.635
  640   HN36  SXM  87          H36A      SXM  87  11.250  14.806  -3.687
  641    H37  SXM  87          H37B      SXM  87  11.184  16.069  -5.923
  642   H37A  SXM  87          H37A      SXM  87  11.513  14.462  -6.592
  643    H38  SXM  87          H38A      SXM  87  13.242  15.964  -4.634
  644   H38A  SXM  87          H38B      SXM  87  13.531  14.332  -5.197
  645   HN41  SXM  87          H41A      SXM  87  15.561  15.455  -5.609
  646    H42  SXM  87          H42A      SXM  87  15.956  15.871  -8.402
  647   H42A  SXM  87          H42B      SXM  87  16.139  17.360  -7.482
  648    H43  SXM  87          H43A      SXM  87  17.711  14.816  -7.061
  649   H43A  SXM  87          H43B      SXM  87  17.853  16.299  -6.094
  650    H2   SXM  87           H2A      SXM  87  18.620  20.216  -8.678
  651    H2A  SXM  87           H2B      SXM  87  18.111  18.995  -9.826
  Start of MODEL   14
    1    H1   MET   1           HT1      MET   1 -20.761  -5.266   3.402
    2    H2   MET   1           HT2      MET   1 -19.348  -6.152   3.523
    3    H3   MET   1           HT3      MET   1 -20.831  -6.958   3.556
    4    HA   MET   1           HA       MET   1 -19.655  -7.152   1.445
    5    HB2  MET   1           HB2      MET   1 -22.183  -5.486   1.321
    6    HB3  MET   1           HB1      MET   1 -21.459  -6.271  -0.074
    7    HG2  MET   1           HG2      MET   1 -22.547  -7.635   2.374
    8    HG3  MET   1           HG1      MET   1 -23.304  -7.576   0.779
    9    HE1  MET   1           HE1      MET   1 -22.190 -11.334   1.110
   10    HE2  MET   1           HE2      MET   1 -23.541 -10.246   0.805
   11    HE3  MET   1           HE3      MET   1 -22.783 -10.286   2.399
   12    H    ALA   2           HN       ALA   2 -17.867  -6.285   0.851
   13    HA   ALA   2           HA       ALA   2 -17.743  -3.807  -0.503
   14    HB1  ALA   2           HB1      ALA   2 -17.672  -2.903   1.783
   15    HB2  ALA   2           HB2      ALA   2 -16.115  -2.696   0.976
   16    HB3  ALA   2           HB3      ALA   2 -16.328  -3.979   2.168
   17    H    THR   3           HN       THR   3 -16.418  -4.373  -2.105
   18    HA   THR   3           HA       THR   3 -14.555  -6.550  -1.834
   19    HB   THR   3           HB       THR   3 -14.642  -4.615  -4.060
   20    HG1  THR   3           HG1      THR   3 -16.522  -6.803  -3.909
   21   HG21  THR   3          HG21      THR   3 -14.280  -6.666  -5.420
   22   HG22  THR   3          HG22      THR   3 -14.338  -7.621  -3.936
   23   HG23  THR   3          HG23      THR   3 -13.046  -6.448  -4.178
   24    H    LEU   4           HN       LEU   4 -12.763  -6.095  -0.679
   25    HA   LEU   4           HA       LEU   4 -11.495  -3.417  -0.900
   26    HB2  LEU   4           HB2      LEU   4 -11.086  -5.438   1.289
   27    HB3  LEU   4           HB1      LEU   4 -10.534  -3.782   1.256
   28    HG   LEU   4           HG       LEU   4 -13.332  -4.738   1.513
   29   HD11  LEU   4          HD11      LEU   4 -12.059  -5.151   3.494
   30   HD12  LEU   4          HD12      LEU   4 -13.189  -3.830   3.790
   31   HD13  LEU   4          HD13      LEU   4 -11.482  -3.487   3.505
   32   HD21  LEU   4          HD21      LEU   4 -13.914  -2.387   1.970
   33   HD22  LEU   4          HD22      LEU   4 -13.293  -2.619   0.336
   34   HD23  LEU   4          HD23      LEU   4 -12.256  -1.927   1.582
   35    H    LEU   5           HN       LEU   5  -9.150  -3.513  -0.536
   36    HA   LEU   5           HA       LEU   5  -7.868  -5.674  -1.904
   37    HB2  LEU   5           HB2      LEU   5  -6.777  -3.302  -0.327
   38    HB3  LEU   5           HB1      LEU   5  -5.781  -4.486  -1.159
   39    HG   LEU   5           HG       LEU   5  -7.745  -2.602  -2.442
   40   HD11  LEU   5          HD11      LEU   5  -4.734  -2.617  -2.379
   41   HD12  LEU   5          HD12      LEU   5  -5.779  -1.476  -1.534
   42   HD13  LEU   5          HD13      LEU   5  -5.742  -1.499  -3.296
   43   HD21  LEU   5          HD21      LEU   5  -6.756  -3.385  -4.523
   44   HD22  LEU   5          HD22      LEU   5  -7.528  -4.704  -3.647
   45   HD23  LEU   5          HD23      LEU   5  -5.771  -4.539  -3.626
   46    H    THR   6           HN       THR   6  -7.325  -7.532  -0.866
   47    HA   THR   6           HA       THR   6  -7.667  -7.636   1.986
   48    HB   THR   6           HB       THR   6  -7.088 -10.028   1.731
   49    HG1  THR   6           HG1      THR   6  -6.971  -9.556  -1.067
   50   HG21  THR   6          HG21      THR   6  -9.416  -9.331   1.389
   51   HG22  THR   6          HG22      THR   6  -9.007 -10.683   0.334
   52   HG23  THR   6          HG23      THR   6  -9.087  -9.047  -0.320
   53    H    THR   7           HN       THR   7  -5.683  -9.268   2.904
   54    HA   THR   7           HA       THR   7  -3.432  -7.533   2.912
   55    HB   THR   7           HB       THR   7  -3.600 -10.372   3.961
   56    HG1  THR   7           HG1      THR   7  -4.017  -8.448   5.820
   57   HG21  THR   7          HG21      THR   7  -1.355  -9.342   3.956
   58   HG22  THR   7          HG22      THR   7  -1.953  -9.539   5.604
   59   HG23  THR   7          HG23      THR   7  -1.995  -7.952   4.829
   60    H    ASP   8           HN       ASP   8  -4.501 -10.263   1.145
   61    HA   ASP   8           HA       ASP   8  -1.954 -11.069   0.112
   62    HB2  ASP   8           HB2      ASP   8  -3.890 -12.613   0.306
   63    HB3  ASP   8           HB1      ASP   8  -4.725 -11.673  -0.925
   64    H    ASP   9           HN       ASP   9  -4.741  -9.253  -1.045
   65    HA   ASP   9           HA       ASP   9  -3.769  -8.557  -3.608
   66    HB2  ASP   9           HB2      ASP   9  -5.650  -6.985  -1.819
   67    HB3  ASP   9           HB1      ASP   9  -5.294  -6.558  -3.481
   68    H    LEU  10           HN       LEU  10  -3.556  -6.954  -0.480
   69    HA   LEU  10           HA       LEU  10  -2.107  -4.693  -1.222
   70    HB2  LEU  10           HB2      LEU  10  -3.156  -4.994   0.974
   71    HB3  LEU  10           HB1      LEU  10  -2.023  -6.271   1.353
   72    HG   LEU  10           HG       LEU  10  -0.182  -4.579   1.222
   73   HD11  LEU  10          HD11      LEU  10  -0.769  -2.213   1.359
   74   HD12  LEU  10          HD12      LEU  10  -2.463  -2.621   1.081
   75   HD13  LEU  10          HD13      LEU  10  -1.264  -2.929  -0.175
   76   HD21  LEU  10          HD21      LEU  10  -2.376  -4.082   3.231
   77   HD22  LEU  10          HD22      LEU  10  -0.699  -3.560   3.397
   78   HD23  LEU  10          HD23      LEU  10  -1.084  -5.281   3.360
   79    H    ARG  11           HN       ARG  11  -0.972  -7.795   0.074
   80    HA   ARG  11           HA       ARG  11   1.739  -7.451   0.050
   81    HB2  ARG  11           HB2      ARG  11   0.697  -9.425   0.995
   82    HB3  ARG  11           HB1      ARG  11   0.170  -9.955  -0.593
   83    HG2  ARG  11           HG2      ARG  11   2.444 -10.358  -1.264
   84    HG3  ARG  11           HG1      ARG  11   3.046  -9.675   0.248
   85    HD2  ARG  11           HD2      ARG  11   3.101 -12.108   0.294
   86    HD3  ARG  11           HD1      ARG  11   1.973 -11.483   1.494
   87    HE   ARG  11           HE       ARG  11   0.293 -11.990  -0.434
   88   HH11  ARG  11          HH11      ARG  11   3.109 -14.008   0.464
   89   HH12  ARG  11          HH12      ARG  11   2.318 -15.467   0.129
   90   HH21  ARG  11          HH21      ARG  11  -0.748 -14.080  -0.958
   91   HH22  ARG  11          HH22      ARG  11   0.173 -15.496  -0.770
   92    H    ARG  12           HN       ARG  12  -0.098  -8.926  -2.621
   93    HA   ARG  12           HA       ARG  12   2.100  -9.216  -4.324
   94    HB2  ARG  12           HB2      ARG  12  -0.841  -9.056  -4.908
   95    HB3  ARG  12           HB1      ARG  12   0.355  -9.325  -6.169
   96    HG2  ARG  12           HG2      ARG  12  -0.012 -11.084  -3.751
   97    HG3  ARG  12           HG1      ARG  12  -0.678 -11.410  -5.353
   98    HD2  ARG  12           HD2      ARG  12   2.276 -11.170  -4.677
   99    HD3  ARG  12           HD1      ARG  12   1.390 -12.661  -5.006
  100    HE   ARG  12           HE       ARG  12   1.047 -11.863  -7.249
  101   HH11  ARG  12          HH11      ARG  12   3.714 -10.419  -5.355
  102   HH12  ARG  12          HH12      ARG  12   4.444  -9.730  -6.741
  103   HH21  ARG  12          HH21      ARG  12   2.260 -10.930  -9.149
  104   HH22  ARG  12          HH22      ARG  12   3.686 -10.046  -8.802
  105    H    ALA  13           HN       ALA  13  -0.278  -6.590  -4.260
  106    HA   ALA  13           HA       ALA  13   0.836  -5.234  -6.467
  107    HB1  ALA  13           HB1      ALA  13  -0.873  -4.130  -4.254
  108    HB2  ALA  13           HB2      ALA  13  -1.461  -4.910  -5.721
  109    HB3  ALA  13           HB3      ALA  13  -0.584  -3.382  -5.823
  110    H    LEU  14           HN       LEU  14   1.454  -5.072  -3.024
  111    HA   LEU  14           HA       LEU  14   2.993  -2.705  -2.992
  112    HB2  LEU  14           HB2      LEU  14   1.950  -3.883  -1.019
  113    HB3  LEU  14           HB1      LEU  14   3.201  -5.094  -1.152
  114    HG   LEU  14           HG       LEU  14   4.888  -3.312  -0.721
  115   HD11  LEU  14          HD11      LEU  14   4.121  -1.193   0.218
  116   HD12  LEU  14          HD12      LEU  14   2.451  -1.645  -0.128
  117   HD13  LEU  14          HD13      LEU  14   3.591  -1.396  -1.452
  118   HD21  LEU  14          HD21      LEU  14   4.421  -3.156   1.675
  119   HD22  LEU  14          HD22      LEU  14   4.113  -4.779   1.059
  120   HD23  LEU  14          HD23      LEU  14   2.765  -3.692   1.388
  121    H    VAL  15           HN       VAL  15   3.794  -6.123  -3.235
  122    HA   VAL  15           HA       VAL  15   6.591  -5.950  -3.379
  123    HB   VAL  15           HB       VAL  15   4.748  -7.995  -4.676
  124   HG11  VAL  15          HG11      VAL  15   6.987  -8.065  -5.648
  125   HG12  VAL  15          HG12      VAL  15   6.688  -9.488  -4.654
  126   HG13  VAL  15          HG13      VAL  15   7.692  -8.175  -4.036
  127   HG21  VAL  15          HG21      VAL  15   5.240  -9.368  -2.715
  128   HG22  VAL  15          HG22      VAL  15   4.440  -7.858  -2.273
  129   HG23  VAL  15          HG23      VAL  15   6.179  -8.043  -2.026
  130    H    GLU  16           HN       GLU  16   4.205  -6.253  -5.998
  131    HA   GLU  16           HA       GLU  16   5.796  -6.096  -8.219
  132    HB2  GLU  16           HB2      GLU  16   3.066  -4.929  -7.794
  133    HB3  GLU  16           HB1      GLU  16   3.854  -5.014  -9.355
  134    HG2  GLU  16           HG2      GLU  16   3.863  -7.436  -9.224
  135    HG3  GLU  16           HG1      GLU  16   3.118  -7.357  -7.626
  136    H    SER  17           HN       SER  17   4.351  -3.361  -6.492
  137    HA   SER  17           HA       SER  17   5.411  -1.488  -8.396
  138    HB2  SER  17           HB2      SER  17   3.941  -0.900  -5.850
  139    HB3  SER  17           HB1      SER  17   4.015   0.083  -7.312
  140    HG   SER  17           HG       SER  17   2.543  -2.167  -6.704
  141    H    ALA  18           HN       ALA  18   6.704  -2.964  -5.691
  142    HA   ALA  18           HA       ALA  18   7.986  -0.881  -4.294
  143    HB1  ALA  18           HB1      ALA  18   9.451  -2.595  -3.393
  144    HB2  ALA  18           HB2      ALA  18   8.918  -3.723  -4.638
  145    HB3  ALA  18           HB3      ALA  18   7.781  -3.158  -3.416
  146    H    GLY  19           HN       GLY  19   8.853  -2.596  -7.190
  147    HA2  GLY  19           HA2      GLY  19  10.613  -0.508  -7.941
  148    HA3  GLY  19           HA1      GLY  19  11.497  -1.949  -7.450
  149    H    GLU  20           HN       GLU  20  11.967  -3.266  -8.961
  150    HA   GLU  20           HA       GLU  20  10.852  -2.861 -11.604
  151    HB2  GLU  20           HB2      GLU  20  13.275  -2.976 -11.238
  152    HB3  GLU  20           HB1      GLU  20  13.098  -4.626 -10.666
  153    HG2  GLU  20           HG2      GLU  20  12.283  -5.285 -12.881
  154    HG3  GLU  20           HG1      GLU  20  12.513  -3.626 -13.441
  155    H    THR  21           HN       THR  21   8.779  -3.718 -11.074
  156    HA   THR  21           HA       THR  21   7.132  -5.243 -10.944
  157    HB   THR  21           HB       THR  21   8.845  -6.839 -12.858
  158    HG1  THR  21           HG1      THR  21   7.685  -5.410 -14.418
  159   HG21  THR  21          HG21      THR  21   5.849  -6.428 -12.595
  160   HG22  THR  21          HG22      THR  21   6.724  -7.885 -12.132
  161   HG23  THR  21          HG23      THR  21   6.646  -7.403 -13.827
  162    H    ASP  22           HN       ASP  22   7.448  -5.717  -8.863
  163    HA   ASP  22           HA       ASP  22   7.413  -7.060  -7.094
  164    HB2  ASP  22           HB2      ASP  22   8.344  -9.355  -8.888
  165    HB3  ASP  22           HB1      ASP  22   7.921  -9.507  -7.186
  166    H    GLY  23           HN       GLY  23   8.814  -5.696  -6.344
  167    HA2  GLY  23           HA2      GLY  23  11.670  -6.211  -6.668
  168    HA3  GLY  23           HA1      GLY  23  10.903  -4.793  -5.933
  169    H    THR  24           HN       THR  24  10.177  -4.894  -3.833
  170    HA   THR  24           HA       THR  24  11.526  -6.726  -2.096
  171    HB   THR  24           HB       THR  24   9.601  -4.452  -1.533
  172    HG1  THR  24           HG1      THR  24  12.411  -4.568  -1.894
  173   HG21  THR  24          HG21      THR  24  11.758  -5.746   0.167
  174   HG22  THR  24          HG22      THR  24  10.020  -5.954   0.384
  175   HG23  THR  24          HG23      THR  24  10.756  -4.373   0.649
  176    H    ASP  25           HN       ASP  25  10.523  -8.695  -2.032
  177    HA   ASP  25           HA       ASP  25   7.651  -8.920  -2.208
  178    HB2  ASP  25           HB2      ASP  25   8.817 -10.617  -3.377
  179    HB3  ASP  25           HB1      ASP  25   9.853 -10.963  -1.999
  180    H    LEU  26           HN       LEU  26   6.482  -8.543  -0.521
  181    HA   LEU  26           HA       LEU  26   7.482  -9.128   2.146
  182    HB2  LEU  26           HB2      LEU  26   5.124  -7.495   1.212
  183    HB3  LEU  26           HB1      LEU  26   5.330  -7.957   2.880
  184    HG   LEU  26           HG       LEU  26   6.031  -5.740   2.694
  185   HD11  LEU  26          HD11      LEU  26   8.379  -5.807   3.320
  186   HD12  LEU  26          HD12      LEU  26   8.462  -7.477   2.746
  187   HD13  LEU  26          HD13      LEU  26   7.413  -7.060   4.105
  188   HD21  LEU  26          HD21      LEU  26   7.744  -4.948   1.129
  189   HD22  LEU  26          HD22      LEU  26   6.322  -5.576   0.296
  190   HD23  LEU  26          HD23      LEU  26   7.791  -6.548   0.388
  191    H    SER  27           HN       SER  27   7.196 -11.392   1.295
  192    HA   SER  27           HA       SER  27   4.475 -12.324   1.633
  193    HB2  SER  27           HB2      SER  27   6.012 -13.308  -0.121
  194    HB3  SER  27           HB1      SER  27   6.957 -13.989   1.202
  195    HG   SER  27           HG       SER  27   5.626 -15.578   0.936
  196    H    GLY  28           HN       GLY  28   3.754 -12.479   3.611
  197    HA2  GLY  28           HA2      GLY  28   4.206 -14.117   5.554
  198    HA3  GLY  28           HA1      GLY  28   5.595 -13.056   5.792
  199    H    ASP  29           HN       ASP  29   4.633 -12.569   7.863
  200    HA   ASP  29           HA       ASP  29   2.220 -10.939   7.771
  201    HB2  ASP  29           HB2      ASP  29   2.676 -12.707   9.560
  202    HB3  ASP  29           HB1      ASP  29   3.928 -11.639  10.175
  203    H    PHE  30           HN       PHE  30   2.740  -9.016   6.896
  204    HA   PHE  30           HA       PHE  30   5.244  -7.676   7.746
  205    HB2  PHE  30           HB2      PHE  30   5.329  -6.691   5.510
  206    HB3  PHE  30           HB1      PHE  30   5.291  -8.445   5.430
  207    HD1  PHE  30           HD2      PHE  30   3.113  -9.583   4.800
  208    HD2  PHE  30           HD1      PHE  30   3.673  -5.385   4.419
  209    HE1  PHE  30           HE2      PHE  30   1.196  -9.469   3.270
  210    HE2  PHE  30           HE1      PHE  30   1.755  -5.270   2.888
  211    HZ   PHE  30           HZ       PHE  30   0.516  -7.309   2.312
  212    H    LEU  31           HN       LEU  31   2.340  -7.307   8.767
  213    HA   LEU  31           HA       LEU  31   1.659  -4.700   7.724
  214    HB2  LEU  31           HB2      LEU  31   0.330  -6.357   9.866
  215    HB3  LEU  31           HB1      LEU  31  -0.267  -4.821   9.289
  216    HG   LEU  31           HG       LEU  31  -1.584  -6.470   8.309
  217   HD11  LEU  31          HD11      LEU  31  -1.212  -6.220   5.905
  218   HD12  LEU  31          HD12      LEU  31   0.381  -5.543   6.249
  219   HD13  LEU  31          HD13      LEU  31  -1.069  -4.706   6.797
  220   HD21  LEU  31          HD21      LEU  31  -0.737  -8.358   6.965
  221   HD22  LEU  31          HD22      LEU  31  -0.207  -8.441   8.644
  222   HD23  LEU  31          HD23      LEU  31   0.912  -7.902   7.394
  223    H    ASP  32           HN       ASP  32   3.228  -5.989  10.506
  224    HA   ASP  32           HA       ASP  32   2.946  -3.527  12.027
  225    HB2  ASP  32           HB2      ASP  32   4.072  -4.593  13.868
  226    HB3  ASP  32           HB1      ASP  32   2.921  -5.738  13.208
  227    H    LEU  33           HN       LEU  33   5.184  -4.782   9.806
  228    HA   LEU  33           HA       LEU  33   7.343  -3.173  10.853
  229    HB2  LEU  33           HB2      LEU  33   8.702  -4.044   8.973
  230    HB3  LEU  33           HB1      LEU  33   8.054  -5.300   9.999
  231    HG   LEU  33           HG       LEU  33   6.296  -5.699   8.252
  232   HD11  LEU  33          HD11      LEU  33   6.472  -4.648   6.128
  233   HD12  LEU  33          HD12      LEU  33   8.068  -3.990   6.593
  234   HD13  LEU  33          HD13      LEU  33   6.624  -3.450   7.459
  235   HD21  LEU  33          HD21      LEU  33   8.303  -7.096   8.410
  236   HD22  LEU  33          HD22      LEU  33   9.170  -5.964   7.370
  237   HD23  LEU  33          HD23      LEU  33   7.802  -6.878   6.733
  238    H    ARG  34           HN       ARG  34   8.550  -1.610   9.588
  239    HA   ARG  34           HA       ARG  34   6.548   0.211   8.514
  240    HB2  ARG  34           HB2      ARG  34   9.414   0.618   9.342
  241    HB3  ARG  34           HB1      ARG  34   8.362   1.871   8.718
  242    HG2  ARG  34           HG2      ARG  34   6.917   1.613  10.663
  243    HG3  ARG  34           HG1      ARG  34   7.992   0.350  11.281
  244    HD2  ARG  34           HD2      ARG  34   9.810   1.883  11.458
  245    HD3  ARG  34           HD1      ARG  34   8.904   3.135  10.611
  246    HE   ARG  34           HE       ARG  34   7.828   2.150  13.123
  247   HH11  ARG  34          HH11      ARG  34   9.597   4.697  11.415
  248   HH12  ARG  34          HH12      ARG  34   9.193   5.925  12.525
  249   HH21  ARG  34          HH21      ARG  34   7.319   3.733  14.631
  250   HH22  ARG  34          HH22      ARG  34   7.852   5.364  14.473
  251    H    PHE  35           HN       PHE  35   7.081   1.413   6.629
  252    HA   PHE  35           HA       PHE  35   8.165  -0.177   4.546
  253    HB2  PHE  35           HB2      PHE  35   7.317   2.713   4.602
  254    HB3  PHE  35           HB1      PHE  35   7.972   1.948   3.161
  255    HD1  PHE  35           HD2      PHE  35   6.782  -0.369   2.586
  256    HD2  PHE  35           HD1      PHE  35   5.037   2.808   4.800
  257    HE1  PHE  35           HE2      PHE  35   4.548  -1.191   1.995
  258    HE2  PHE  35           HE1      PHE  35   2.802   1.990   4.212
  259    HZ   PHE  35           HZ       PHE  35   2.552  -0.012   2.807
  260    H    GLU  36           HN       GLU  36   9.447   2.315   6.605
  261    HA   GLU  36           HA       GLU  36  11.813   2.752   5.155
  262    HB2  GLU  36           HB2      GLU  36  12.750   3.739   7.174
  263    HB3  GLU  36           HB1      GLU  36  11.097   4.276   6.946
  264    HG2  GLU  36           HG2      GLU  36  10.331   2.779   8.683
  265    HG3  GLU  36           HG1      GLU  36  11.950   2.102   8.843
  266    H    ASP  37           HN       ASP  37  10.886   0.180   7.317
  267    HA   ASP  37           HA       ASP  37  13.524  -0.819   7.827
  268    HB2  ASP  37           HB2      ASP  37  10.889  -2.325   7.880
  269    HB3  ASP  37           HB1      ASP  37  12.420  -2.957   8.456
  270    H    ILE  38           HN       ILE  38  11.062  -1.424   5.472
  271    HA   ILE  38           HA       ILE  38  12.711  -3.436   4.188
  272    HB   ILE  38           HB       ILE  38  10.679  -3.849   2.745
  273   HG12  ILE  38          HG12      ILE  38   9.403  -1.993   4.779
  274   HG13  ILE  38          HG11      ILE  38   9.599  -1.656   3.067
  275   HG21  ILE  38          HG21      ILE  38  10.427  -4.156   5.733
  276   HG22  ILE  38          HG22      ILE  38  11.271  -5.251   4.641
  277   HG23  ILE  38          HG23      ILE  38   9.515  -5.075   4.533
  278   HD11  ILE  38          HD11      ILE  38   7.316  -2.293   3.592
  279   HD12  ILE  38          HD12      ILE  38   7.883  -3.821   4.264
  280   HD13  ILE  38          HD13      ILE  38   8.070  -3.493   2.542
  281    H    GLY  39           HN       GLY  39  13.244  -0.544   4.063
  282    HA2  GLY  39           HA2      GLY  39  14.264   0.878   2.578
  283    HA3  GLY  39           HA1      GLY  39  14.479  -0.530   1.563
  284    H    TYR  40           HN       TYR  40  11.349   0.839   2.444
  285    HA   TYR  40           HA       TYR  40  10.781   1.181  -0.359
  286    HB2  TYR  40           HB2      TYR  40   9.149   1.187   2.101
  287    HB3  TYR  40           HB1      TYR  40   8.576   2.174   0.767
  288    HD1  TYR  40           HD1      TYR  40   9.986  -1.239   1.279
  289    HD2  TYR  40           HD2      TYR  40   7.043   1.164  -0.609
  290    HE1  TYR  40           HE1      TYR  40   9.021  -3.248   0.270
  291    HE2  TYR  40           HE2      TYR  40   6.065  -0.829  -1.640
  292    HH   TYR  40           HH       TYR  40   6.944  -4.030  -0.754
  293    H    ASP  41           HN       ASP  41  11.366   2.838  -1.359
  294    HA   ASP  41           HA       ASP  41  11.761   5.422  -0.177
  295    HB2  ASP  41           HB2      ASP  41  13.088   4.708  -2.133
  296    HB3  ASP  41           HB1      ASP  41  11.613   4.534  -3.078
  297    H    SER  42           HN       SER  42  10.391   7.256  -0.541
  298    HA   SER  42           HA       SER  42   7.681   6.792  -0.332
  299    HB2  SER  42           HB2      SER  42   7.615   9.273  -1.046
  300    HB3  SER  42           HB1      SER  42   8.284   8.847   0.522
  301    H    LEU  43           HN       LEU  43   9.605   7.450  -3.244
  302    HA   LEU  43           HA       LEU  43   7.322   8.041  -4.836
  303    HB2  LEU  43           HB2      LEU  43   9.683   8.741  -5.377
  304    HB3  LEU  43           HB1      LEU  43  10.044   7.082  -5.773
  305    HG   LEU  43           HG       LEU  43   9.718   8.607  -7.734
  306   HD11  LEU  43          HD11      LEU  43   8.339   7.117  -9.082
  307   HD12  LEU  43          HD12      LEU  43   7.786   6.307  -7.614
  308   HD13  LEU  43          HD13      LEU  43   9.485   6.232  -8.076
  309   HD21  LEU  43          HD21      LEU  43   7.945  10.004  -6.860
  310   HD22  LEU  43          HD22      LEU  43   6.840   8.630  -6.841
  311   HD23  LEU  43          HD23      LEU  43   7.443   9.254  -8.377
  312    H    ALA  44           HN       ALA  44   9.125   5.113  -4.146
  313    HA   ALA  44           HA       ALA  44   7.665   3.452  -5.946
  314    HB1  ALA  44           HB1      ALA  44   9.870   2.796  -5.053
  315    HB2  ALA  44           HB2      ALA  44   8.650   1.568  -4.737
  316    HB3  ALA  44           HB3      ALA  44   9.168   2.649  -3.442
  317    H    LEU  45           HN       LEU  45   7.258   4.418  -2.621
  318    HA   LEU  45           HA       LEU  45   5.085   2.723  -2.010
  319    HB2  LEU  45           HB2      LEU  45   6.446   3.841  -0.305
  320    HB3  LEU  45           HB1      LEU  45   5.873   5.400  -0.855
  321    HG   LEU  45           HG       LEU  45   3.627   4.887  -0.060
  322   HD11  LEU  45          HD11      LEU  45   4.822   2.271   0.855
  323   HD12  LEU  45          HD12      LEU  45   3.650   2.472  -0.446
  324   HD13  LEU  45          HD13      LEU  45   3.196   2.851   1.215
  325   HD21  LEU  45          HD21      LEU  45   5.778   4.338   1.980
  326   HD22  LEU  45          HD22      LEU  45   4.129   4.852   2.337
  327   HD23  LEU  45          HD23      LEU  45   5.219   5.930   1.464
  328    H    MET  46           HN       MET  46   5.291   6.052  -3.184
  329    HA   MET  46           HA       MET  46   2.573   6.695  -3.466
  330    HB2  MET  46           HB2      MET  46   4.900   7.485  -5.225
  331    HB3  MET  46           HB1      MET  46   3.314   8.227  -5.278
  332    HG2  MET  46           HG2      MET  46   5.134   8.229  -2.904
  333    HG3  MET  46           HG1      MET  46   5.048   9.505  -4.106
  334    HE1  MET  46           HE1      MET  46   3.374  11.097  -0.935
  335    HE2  MET  46           HE2      MET  46   4.638  11.262  -2.153
  336    HE3  MET  46           HE3      MET  46   4.724   9.965  -0.961
  337    H    GLU  47           HN       GLU  47   4.854   5.243  -5.707
  338    HA   GLU  47           HA       GLU  47   3.228   4.883  -7.927
  339    HB2  GLU  47           HB2      GLU  47   5.663   4.722  -7.824
  340    HB3  GLU  47           HB1      GLU  47   5.541   3.230  -6.926
  341    HG2  GLU  47           HG2      GLU  47   6.066   2.726  -9.228
  342    HG3  GLU  47           HG1      GLU  47   4.455   2.136  -8.836
  343    H    THR  48           HN       THR  48   3.643   2.923  -5.061
  344    HA   THR  48           HA       THR  48   2.076   0.716  -5.922
  345    HB   THR  48           HB       THR  48   2.679   1.671  -3.096
  346    HG1  THR  48           HG1      THR  48   4.611   1.224  -4.354
  347   HG21  THR  48          HG21      THR  48   2.289  -0.677  -2.478
  348   HG22  THR  48          HG22      THR  48   1.893  -1.053  -4.154
  349   HG23  THR  48          HG23      THR  48   0.852   0.026  -3.223
  350    H    ALA  49           HN       ALA  49   1.417   3.379  -3.627
  351    HA   ALA  49           HA       ALA  49  -1.266   2.824  -3.162
  352    HB1  ALA  49           HB1      ALA  49   0.104   5.505  -3.019
  353    HB2  ALA  49           HB2      ALA  49   0.108   4.283  -1.746
  354    HB3  ALA  49           HB3      ALA  49  -1.403   5.059  -2.220
  355    H    ALA  50           HN       ALA  50   0.121   5.166  -5.465
  356    HA   ALA  50           HA       ALA  50  -2.282   6.194  -6.451
  357    HB1  ALA  50           HB1      ALA  50   0.346   5.948  -7.906
  358    HB2  ALA  50           HB2      ALA  50  -0.104   7.253  -6.808
  359    HB3  ALA  50           HB3      ALA  50  -0.978   7.036  -8.325
  360    H    ARG  51           HN       ARG  51  -0.478   3.367  -7.359
  361    HA   ARG  51           HA       ARG  51  -1.897   2.766  -9.736
  362    HB2  ARG  51           HB2      ARG  51   0.280   1.782  -9.178
  363    HB3  ARG  51           HB1      ARG  51  -0.438   0.945  -7.815
  364    HG2  ARG  51           HG2      ARG  51  -1.817  -0.358  -9.353
  365    HG3  ARG  51           HG1      ARG  51  -1.071   0.484 -10.720
  366    HD2  ARG  51           HD2      ARG  51   1.115  -0.336 -10.026
  367    HD3  ARG  51           HD1      ARG  51   0.376  -1.166  -8.662
  368    HE   ARG  51           HE       ARG  51  -0.632  -1.868 -11.272
  369   HH11  ARG  51          HH11      ARG  51   1.806  -2.572  -8.791
  370   HH12  ARG  51          HH12      ARG  51   1.902  -4.235  -9.208
  371   HH21  ARG  51          HH21      ARG  51  -0.420  -4.205 -11.826
  372   HH22  ARG  51          HH22      ARG  51   0.686  -5.128 -10.898
  373    H    LEU  52           HN       LEU  52  -2.192   1.791  -6.385
  374    HA   LEU  52           HA       LEU  52  -4.372   0.045  -6.707
  375    HB2  LEU  52           HB2      LEU  52  -3.469   1.588  -4.279
  376    HB3  LEU  52           HB1      LEU  52  -4.655   0.299  -4.261
  377    HG   LEU  52           HG       LEU  52  -1.763  -0.017  -5.051
  378   HD11  LEU  52          HD11      LEU  52  -3.213  -0.852  -2.545
  379   HD12  LEU  52          HD12      LEU  52  -2.011   0.431  -2.670
  380   HD13  LEU  52          HD13      LEU  52  -1.544  -1.248  -2.954
  381   HD21  LEU  52          HD21      LEU  52  -3.959  -2.052  -4.683
  382   HD22  LEU  52          HD22      LEU  52  -2.263  -2.414  -5.005
  383   HD23  LEU  52          HD23      LEU  52  -3.230  -1.572  -6.216
  384    H    GLU  53           HN       GLU  53  -4.167   3.500  -6.026
  385    HA   GLU  53           HA       GLU  53  -6.876   3.953  -5.457
  386    HB2  GLU  53           HB2      GLU  53  -5.287   5.941  -7.025
  387    HB3  GLU  53           HB1      GLU  53  -6.634   6.101  -5.926
  388    HG2  GLU  53           HG2      GLU  53  -5.339   5.808  -4.043
  389    HG3  GLU  53           HG1      GLU  53  -3.916   5.350  -4.996
  390    H    SER  54           HN       SER  54  -5.128   4.434  -8.482
  391    HA   SER  54           HA       SER  54  -7.372   5.182  -9.972
  392    HB2  SER  54           HB2      SER  54  -5.049   5.804 -10.532
  393    HB3  SER  54           HB1      SER  54  -4.700   4.123 -10.918
  394    HG   SER  54           HG       SER  54  -5.786   6.040 -12.437
  395    H    ARG  55           HN       ARG  55  -5.951   2.047  -9.316
  396    HA   ARG  55           HA       ARG  55  -7.421   0.766 -11.414
  397    HB2  ARG  55           HB2      ARG  55  -5.123   0.119 -10.329
  398    HB3  ARG  55           HB1      ARG  55  -6.103  -0.668  -9.118
  399    HG2  ARG  55           HG2      ARG  55  -6.443  -1.357 -12.025
  400    HG3  ARG  55           HG1      ARG  55  -5.097  -2.011 -11.116
  401    HD2  ARG  55           HD2      ARG  55  -6.771  -3.677 -11.086
  402    HD3  ARG  55           HD1      ARG  55  -6.826  -2.937  -9.498
  403    HE   ARG  55           HE       ARG  55  -8.758  -1.598 -10.656
  404   HH11  ARG  55          HH11      ARG  55  -8.062  -5.067 -10.971
  405   HH12  ARG  55          HH12      ARG  55  -9.692  -5.489 -11.223
  406   HH21  ARG  55          HH21      ARG  55 -10.998  -2.184 -10.997
  407   HH22  ARG  55          HH22      ARG  55 -11.403  -3.791 -11.291
  408    H    TYR  56           HN       TYR  56  -7.789   1.122  -7.868
  409    HA   TYR  56           HA       TYR  56 -10.132  -0.592  -8.104
  410    HB2  TYR  56           HB2      TYR  56  -8.506   0.123  -5.689
  411    HB3  TYR  56           HB1      TYR  56 -10.022  -0.781  -5.613
  412    HD1  TYR  56           HD1      TYR  56 -10.187  -3.011  -6.579
  413    HD2  TYR  56           HD2      TYR  56  -6.489  -0.915  -6.545
  414    HE1  TYR  56           HE1      TYR  56  -9.005  -5.098  -7.085
  415    HE2  TYR  56           HE2      TYR  56  -5.291  -3.004  -7.048
  416    HH   TYR  56           HH       TYR  56  -5.615  -5.385  -6.817
  417    H    GLY  57           HN       GLY  57  -9.490   2.729  -7.642
  418    HA2  GLY  57           HA2      GLY  57 -11.252   4.282  -7.910
  419    HA3  GLY  57           HA1      GLY  57 -12.378   3.080  -7.305
  420    H    VAL  58           HN       VAL  58  -9.385   4.496  -6.022
  421    HA   VAL  58           HA       VAL  58 -10.902   5.640  -3.811
  422    HB   VAL  58           HB       VAL  58  -9.271   5.007  -2.094
  423   HG11  VAL  58          HG11      VAL  58  -9.686   2.638  -1.912
  424   HG12  VAL  58          HG12      VAL  58 -10.187   2.626  -3.605
  425   HG13  VAL  58          HG13      VAL  58 -11.142   3.524  -2.410
  426   HG21  VAL  58          HG21      VAL  58  -7.490   3.444  -2.457
  427   HG22  VAL  58          HG22      VAL  58  -7.292   4.813  -3.562
  428   HG23  VAL  58          HG23      VAL  58  -7.954   3.265  -4.141
  429    H    SER  59           HN       SER  59  -9.260   7.061  -2.438
  430    HA   SER  59           HA       SER  59  -7.261   8.181  -4.184
  431    HB2  SER  59           HB2      SER  59  -9.295   9.580  -4.477
  432    HB3  SER  59           HB1      SER  59  -9.333   9.866  -2.739
  433    HG   SER  59           HG       SER  59  -7.228  10.581  -4.505
  434    H    ILE  60           HN       ILE  60  -5.476   8.220  -3.160
  435    HA   ILE  60           HA       ILE  60  -5.380   8.556  -0.232
  436    HB   ILE  60           HB       ILE  60  -3.367   7.055  -1.970
  437   HG12  ILE  60          HG12      ILE  60  -5.432   5.746  -1.846
  438   HG13  ILE  60          HG11      ILE  60  -4.169   4.971  -0.901
  439   HG21  ILE  60          HG21      ILE  60  -2.367   6.303   0.161
  440   HG22  ILE  60          HG22      ILE  60  -3.539   7.283   1.035
  441   HG23  ILE  60          HG23      ILE  60  -2.344   8.060   0.003
  442   HD11  ILE  60          HD11      ILE  60  -6.430   6.636   0.190
  443   HD12  ILE  60          HD12      ILE  60  -5.175   5.849   1.150
  444   HD13  ILE  60          HD13      ILE  60  -6.320   4.876   0.229
  445    HA   PRO  61           HA       PRO  61  -3.681  12.372  -2.067
  446    HB2  PRO  61           HB2      PRO  61  -3.509  12.982   0.845
  447    HB3  PRO  61           HB1      PRO  61  -4.173  13.963  -0.470
  448    HG2  PRO  61           HG2      PRO  61  -5.812  12.733   1.200
  449    HG3  PRO  61           HG1      PRO  61  -6.161  12.746  -0.542
  450    HD2  PRO  61           HD2      PRO  61  -5.004  10.559   1.145
  451    HD3  PRO  61           HD1      PRO  61  -6.228  10.458  -0.140
  452    H    ASP  62           HN       ASP  62  -1.669  13.323  -2.134
  453    HA   ASP  62           HA       ASP  62   0.581  11.707  -2.040
  454    HB2  ASP  62           HB2      ASP  62   0.513  14.731  -1.902
  455    HB3  ASP  62           HB1      ASP  62   1.934  13.772  -2.278
  456    H    ASP  63           HN       ASP  63  -0.340  14.206   0.280
  457    HA   ASP  63           HA       ASP  63   1.958  13.889   1.938
  458    HB2  ASP  63           HB2      ASP  63   0.704  15.990   1.880
  459    HB3  ASP  63           HB1      ASP  63  -0.718  15.183   2.518
  460    H    VAL  64           HN       VAL  64  -1.060  12.305   1.752
  461    HA   VAL  64           HA       VAL  64  -0.908  11.102   4.378
  462    HB   VAL  64           HB       VAL  64  -2.781  10.445   2.071
  463   HG11  VAL  64          HG11      VAL  64  -2.637   8.626   3.686
  464   HG12  VAL  64          HG12      VAL  64  -4.208   9.424   3.788
  465   HG13  VAL  64          HG13      VAL  64  -2.971   9.749   5.003
  466   HG21  VAL  64          HG21      VAL  64  -4.436  11.803   3.264
  467   HG22  VAL  64          HG22      VAL  64  -3.030  12.754   2.775
  468   HG23  VAL  64          HG23      VAL  64  -3.207  12.242   4.453
  469    H    ALA  65           HN       ALA  65  -0.345  10.164   1.006
  470    HA   ALA  65           HA       ALA  65   0.285   7.462   1.499
  471    HB1  ALA  65           HB1      ALA  65  -0.149   8.287  -0.783
  472    HB2  ALA  65           HB2      ALA  65   1.459   7.529  -0.663
  473    HB3  ALA  65           HB3      ALA  65   1.325   9.269  -0.680
  474    H    GLY  66           HN       GLY  66   2.147  10.434   1.506
  475    HA2  GLY  66           HA2      GLY  66   4.664   9.180   1.977
  476    HA3  GLY  66           HA1      GLY  66   4.298  10.882   2.173
  477    H    ARG  67           HN       ARG  67   1.988   9.424   3.891
  478    HA   ARG  67           HA       ARG  67   3.446   9.815   6.398
  479    HB2  ARG  67           HB2      ARG  67   1.402  11.170   5.817
  480    HB3  ARG  67           HB1      ARG  67   0.480   9.686   5.964
  481    HG2  ARG  67           HG2      ARG  67   1.291   9.498   8.302
  482    HG3  ARG  67           HG1      ARG  67   2.009  11.103   8.121
  483    HD2  ARG  67           HD2      ARG  67  -0.895  10.353   7.915
  484    HD3  ARG  67           HD1      ARG  67  -0.128  11.355   9.141
  485    HE   ARG  67           HE       ARG  67   0.417  12.785   7.016
  486   HH11  ARG  67          HH11      ARG  67  -2.651  11.096   7.755
  487   HH12  ARG  67          HH12      ARG  67  -3.593  12.272   6.945
  488   HH21  ARG  67          HH21      ARG  67  -0.966  14.303   5.846
  489   HH22  ARG  67          HH22      ARG  67  -2.657  14.064   5.869
  490    H    VAL  68           HN       VAL  68   1.767   7.428   4.473
  491    HA   VAL  68           HA       VAL  68   1.160   5.674   6.597
  492    HB   VAL  68           HB       VAL  68   0.805   3.875   4.896
  493   HG11  VAL  68          HG11      VAL  68  -1.091   4.932   3.793
  494   HG12  VAL  68          HG12      VAL  68  -0.480   6.512   4.285
  495   HG13  VAL  68          HG13      VAL  68  -0.983   5.340   5.503
  496   HG21  VAL  68          HG21      VAL  68   0.858   4.432   2.502
  497   HG22  VAL  68          HG22      VAL  68   2.477   4.506   3.201
  498   HG23  VAL  68          HG23      VAL  68   1.578   5.989   2.878
  499    H    ASP  69           HN       ASP  69   2.520   5.092   7.880
  500    HA   ASP  69           HA       ASP  69   5.275   4.653   7.249
  501    HB2  ASP  69           HB2      ASP  69   4.475   5.783   9.286
  502    HB3  ASP  69           HB1      ASP  69   3.775   4.269   9.825
  503    H    THR  70           HN       THR  70   2.562   2.592   8.304
  504    HA   THR  70           HA       THR  70   4.222   0.257   7.693
  505    HB   THR  70           HB       THR  70   2.627  -0.986   9.154
  506    HG1  THR  70           HG1      THR  70   1.222   0.480  10.491
  507   HG21  THR  70          HG21      THR  70   3.839   1.446  10.486
  508   HG22  THR  70          HG22      THR  70   4.677  -0.075  10.168
  509   HG23  THR  70          HG23      THR  70   3.334  -0.025  11.315
  510    HA   PRO  71           HA       PRO  71   1.427  -0.700   4.302
  511    HB2  PRO  71           HB2      PRO  71   1.330  -3.486   5.345
  512    HB3  PRO  71           HB1      PRO  71   1.806  -2.908   3.745
  513    HG2  PRO  71           HG2      PRO  71   3.651  -3.756   5.443
  514    HG3  PRO  71           HG1      PRO  71   3.943  -2.310   4.452
  515    HD2  PRO  71           HD2      PRO  71   3.154  -2.496   7.337
  516    HD3  PRO  71           HD1      PRO  71   4.355  -1.439   6.565
  517    H    ARG  72           HN       ARG  72   0.723  -1.625   7.534
  518    HA   ARG  72           HA       ARG  72  -1.936  -2.487   7.350
  519    HB2  ARG  72           HB2      ARG  72  -0.458  -2.723   9.352
  520    HB3  ARG  72           HB1      ARG  72  -0.601  -0.994   9.621
  521    HG2  ARG  72           HG2      ARG  72  -3.064  -1.314   9.862
  522    HG3  ARG  72           HG1      ARG  72  -2.778  -3.053   9.790
  523    HD2  ARG  72           HD2      ARG  72  -1.591  -1.170  11.818
  524    HD3  ARG  72           HD1      ARG  72  -2.978  -2.214  12.089
  525    HE   ARG  72           HE       ARG  72  -1.207  -4.034  11.460
  526   HH11  ARG  72          HH11      ARG  72  -0.735  -1.155  13.431
  527   HH12  ARG  72          HH12      ARG  72   0.418  -1.818  14.474
  528   HH21  ARG  72          HH21      ARG  72   0.399  -5.064  12.975
  529   HH22  ARG  72          HH22      ARG  72   1.006  -4.112  14.245
  530    H    GLU  73           HN       GLU  73  -0.470   0.704   7.677
  531    HA   GLU  73           HA       GLU  73  -2.787   2.239   8.114
  532    HB2  GLU  73           HB2      GLU  73  -0.231   3.066   6.733
  533    HB3  GLU  73           HB1      GLU  73  -1.433   4.149   7.405
  534    HG2  GLU  73           HG2      GLU  73   0.235   2.202   8.966
  535    HG3  GLU  73           HG1      GLU  73   0.530   3.933   8.820
  536    H    LEU  74           HN       LEU  74  -1.020   1.485   5.144
  537    HA   LEU  74           HA       LEU  74  -2.607   3.024   3.373
  538    HB2  LEU  74           HB2      LEU  74  -0.252   1.693   3.103
  539    HB3  LEU  74           HB1      LEU  74  -1.347   0.524   2.390
  540    HG   LEU  74           HG       LEU  74  -1.010   3.350   1.389
  541   HD11  LEU  74          HD11      LEU  74   1.016   2.074   1.059
  542   HD12  LEU  74          HD12      LEU  74   0.194   2.337  -0.480
  543   HD13  LEU  74          HD13      LEU  74   0.093   0.766   0.316
  544   HD21  LEU  74          HD21      LEU  74  -2.435   0.979   0.176
  545   HD22  LEU  74          HD22      LEU  74  -2.231   2.559  -0.581
  546   HD23  LEU  74          HD23      LEU  74  -3.216   2.398   0.874
  547    H    LEU  75           HN       LEU  75  -2.706  -0.371   4.356
  548    HA   LEU  75           HA       LEU  75  -4.832  -1.184   2.722
  549    HB2  LEU  75           HB2      LEU  75  -3.363  -2.770   3.845
  550    HB3  LEU  75           HB1      LEU  75  -3.932  -2.226   5.408
  551    HG   LEU  75           HG       LEU  75  -6.149  -3.160   4.954
  552   HD11  LEU  75          HD11      LEU  75  -6.575  -4.527   2.995
  553   HD12  LEU  75          HD12      LEU  75  -4.977  -4.155   2.346
  554   HD13  LEU  75          HD13      LEU  75  -6.191  -2.887   2.530
  555   HD21  LEU  75          HD21      LEU  75  -3.907  -5.116   4.471
  556   HD22  LEU  75          HD22      LEU  75  -5.532  -5.527   5.015
  557   HD23  LEU  75          HD23      LEU  75  -4.479  -4.553   6.041
  558    H    ASP  76           HN       ASP  76  -4.749   0.173   5.966
  559    HA   ASP  76           HA       ASP  76  -7.498  -0.136   6.554
  560    HB2  ASP  76           HB2      ASP  76  -5.926   0.201   8.343
  561    HB3  ASP  76           HB1      ASP  76  -5.405   1.736   7.664
  562    H    LEU  77           HN       LEU  77  -5.625   2.464   5.143
  563    HA   LEU  77           HA       LEU  77  -7.595   4.434   4.916
  564    HB2  LEU  77           HB2      LEU  77  -5.279   3.773   3.117
  565    HB3  LEU  77           HB1      LEU  77  -6.271   5.191   2.918
  566    HG   LEU  77           HG       LEU  77  -4.471   4.571   5.261
  567   HD11  LEU  77          HD11      LEU  77  -3.171   6.482   4.415
  568   HD12  LEU  77          HD12      LEU  77  -4.268   6.621   3.048
  569   HD13  LEU  77          HD13      LEU  77  -3.261   5.192   3.227
  570   HD21  LEU  77          HD21      LEU  77  -6.173   7.009   4.707
  571   HD22  LEU  77          HD22      LEU  77  -5.030   6.828   6.038
  572   HD23  LEU  77          HD23      LEU  77  -6.470   5.811   5.966
  573    H    ILE  78           HN       ILE  78  -6.586   1.982   2.562
  574    HA   ILE  78           HA       ILE  78  -8.652   2.709   0.757
  575    HB   ILE  78           HB       ILE  78  -6.721   0.387   0.738
  576   HG12  ILE  78          HG12      ILE  78  -6.965   2.953  -0.835
  577   HG13  ILE  78          HG11      ILE  78  -5.690   2.495   0.284
  578   HG21  ILE  78          HG21      ILE  78  -8.767  -0.377  -0.374
  579   HG22  ILE  78          HG22      ILE  78  -7.474  -0.132  -1.548
  580   HG23  ILE  78          HG23      ILE  78  -8.761   1.061  -1.394
  581   HD11  ILE  78          HD11      ILE  78  -4.866   0.848  -1.263
  582   HD12  ILE  78          HD12      ILE  78  -5.085   2.398  -2.144
  583   HD13  ILE  78          HD13      ILE  78  -6.268   1.111  -2.300
  584    H    ASN  79           HN       ASN  79  -8.391   0.322   3.252
  585    HA   ASN  79           HA       ASN  79 -10.683  -1.170   2.611
  586    HB2  ASN  79           HB2      ASN  79  -9.142  -0.721   5.125
  587    HB3  ASN  79           HB1      ASN  79 -10.743  -1.431   5.259
  588   HD21  ASN  79          HD21      ASN  79  -8.804  -2.039   2.444
  589   HD22  ASN  79          HD22      ASN  79  -8.425  -3.686   2.833
  590    H    GLY  80           HN       GLY  80 -10.315   1.749   4.554
  591    HA2  GLY  80           HA2      GLY  80 -13.073   1.930   5.196
  592    HA3  GLY  80           HA1      GLY  80 -11.893   3.231   5.316
  593    H    ALA  81           HN       ALA  81 -11.094   3.134   2.569
  594    HA   ALA  81           HA       ALA  81 -13.027   4.948   1.563
  595    HB1  ALA  81           HB1      ALA  81 -10.602   3.783   0.197
  596    HB2  ALA  81           HB2      ALA  81 -10.619   5.243   1.182
  597    HB3  ALA  81           HB3      ALA  81 -11.517   5.195  -0.334
  598    H    LEU  82           HN       LEU  82 -11.982   1.704   0.586
  599    HA   LEU  82           HA       LEU  82 -13.799   1.540  -1.587
  600    HB2  LEU  82           HB2      LEU  82 -12.104  -0.453  -0.165
  601    HB3  LEU  82           HB1      LEU  82 -13.286  -0.988  -1.329
  602    HG   LEU  82           HG       LEU  82 -10.866   0.774  -1.870
  603   HD11  LEU  82          HD11      LEU  82 -11.575  -2.005  -2.770
  604   HD12  LEU  82          HD12      LEU  82 -10.358  -1.580  -1.571
  605   HD13  LEU  82          HD13      LEU  82 -10.155  -1.079  -3.253
  606   HD21  LEU  82          HD21      LEU  82 -11.561   0.705  -4.203
  607   HD22  LEU  82          HD22      LEU  82 -12.794   1.491  -3.218
  608   HD23  LEU  82          HD23      LEU  82 -13.026  -0.172  -3.759
  609    H    ALA  83           HN       ALA  83 -14.065   0.730   1.797
  610    HA   ALA  83           HA       ALA  83 -16.375  -0.896   1.613
  611    HB1  ALA  83           HB1      ALA  83 -15.005  -0.757   3.655
  612    HB2  ALA  83           HB2      ALA  83 -16.703  -0.378   3.978
  613    HB3  ALA  83           HB3      ALA  83 -15.519   0.920   3.858
  614    H    GLU  84           HN       GLU  84 -15.832   2.523   1.896
  615    HA   GLU  84           HA       GLU  84 -18.600   3.198   2.058
  616    HB2  GLU  84           HB2      GLU  84 -16.769   4.565   3.024
  617    HB3  GLU  84           HB1      GLU  84 -16.196   4.897   1.401
  618    HG2  GLU  84           HG2      GLU  84 -17.410   6.748   2.190
  619    HG3  GLU  84           HG1      GLU  84 -18.350   5.982   0.907
  620    H    ALA  85           HN       ALA  85 -16.041   3.293  -0.378
  621    HA   ALA  85           HA       ALA  85 -15.934   3.194  -2.567
  622    HB1  ALA  85           HB1      ALA  85 -17.822   2.670  -4.019
  623    HB2  ALA  85           HB2      ALA  85 -18.951   2.978  -2.696
  624    HB3  ALA  85           HB3      ALA  85 -17.835   1.615  -2.604
  625    H    ALA  86           HN       ALA  86 -15.769   4.654  -4.197
  626    HA   ALA  86           HA       ALA  86 -17.069   7.233  -3.718
  627    HB1  ALA  86           HB1      ALA  86 -14.107   6.847  -4.152
  628    HB2  ALA  86           HB2      ALA  86 -14.875   7.295  -2.628
  629    HB3  ALA  86           HB3      ALA  86 -14.940   8.394  -4.007
  630    H28  SXM  87          H28A      SXM  87   7.866  10.803  -2.359
  631   H28A  SXM  87          H28B      SXM  87   7.777  12.271  -1.379
  632    H30  SXM  87          H30A      SXM  87   6.229  13.361  -2.797
  633   H30A  SXM  87          H30B      SXM  87   6.145  11.886  -3.755
  634   H30B  SXM  87          H30C      SXM  87   6.467  13.430  -4.543
  635    H31  SXM  87          H31C      SXM  87   8.716  14.565  -4.184
  636   H31A  SXM  87          H31A      SXM  87   9.884  13.806  -3.102
  637   H31B  SXM  87          H31B      SXM  87   8.398  14.504  -2.451
  638    H32  SXM  87          H32A      SXM  87   8.105  11.001  -4.919
  639   HO33  SXM  87          H33A      SXM  87  10.156  11.590  -3.452
  640   HN36  SXM  87          H36A      SXM  87  10.602  11.924  -6.176
  641    H37  SXM  87          H37B      SXM  87  10.449  14.274  -7.675
  642   H37A  SXM  87          H37A      SXM  87   9.563  13.053  -8.583
  643    H38  SXM  87          H38A      SXM  87  11.870  13.215  -9.384
  644   H38A  SXM  87          H38B      SXM  87  12.471  12.906  -7.766
  645   HN41  SXM  87          H41A      SXM  87  13.293  11.390  -9.916
  646    H42  SXM  87          H42A      SXM  87  12.791   8.747  -9.036
  647   H42A  SXM  87          H42B      SXM  87  11.953   9.073 -10.550
  648    H43  SXM  87          H43A      SXM  87  14.074   9.705 -11.587
  649   H43A  SXM  87          H43B      SXM  87  14.123   8.052 -10.954
  650    H2   SXM  87           H2A      SXM  87  18.630   8.293 -10.929
  651    H2A  SXM  87           H2B      SXM  87  18.049   8.520  -9.282
  Start of MODEL   15
    1    H1   MET   1           HT1      MET   1 -21.990  -4.210   1.227
    2    H2   MET   1           HT2      MET   1 -20.758  -3.361   1.946
    3    H3   MET   1           HT3      MET   1 -21.639  -4.445   2.881
    4    HA   MET   1           HA       MET   1 -19.468  -5.287   2.338
    5    HB2  MET   1           HB2      MET   1 -21.571  -6.624   0.612
    6    HB3  MET   1           HB1      MET   1 -20.028  -7.332   1.063
    7    HG2  MET   1           HG2      MET   1 -22.248  -6.583   2.942
    8    HG3  MET   1           HG1      MET   1 -21.844  -8.212   2.405
    9    HE1  MET   1           HE1      MET   1 -19.619  -9.506   3.111
   10    HE2  MET   1           HE2      MET   1 -18.332  -8.767   4.064
   11    HE3  MET   1           HE3      MET   1 -18.668  -8.184   2.433
   12    H    ALA   2           HN       ALA   2 -17.865  -4.490   1.241
   13    HA   ALA   2           HA       ALA   2 -18.159  -4.127  -1.671
   14    HB1  ALA   2           HB1      ALA   2 -18.073  -1.956  -0.544
   15    HB2  ALA   2           HB2      ALA   2 -16.610  -2.234  -1.488
   16    HB3  ALA   2           HB3      ALA   2 -16.578  -2.432   0.266
   17    H    THR   3           HN       THR   3 -15.945  -4.166  -2.741
   18    HA   THR   3           HA       THR   3 -14.493  -6.410  -1.678
   19    HB   THR   3           HB       THR   3 -14.934  -6.308  -4.104
   20    HG1  THR   3           HG1      THR   3 -12.837  -7.163  -3.149
   21   HG21  THR   3          HG21      THR   3 -13.135  -3.873  -4.173
   22   HG22  THR   3          HG22      THR   3 -14.864  -3.903  -4.523
   23   HG23  THR   3          HG23      THR   3 -13.733  -4.733  -5.593
   24    H    LEU   4           HN       LEU   4 -13.181  -5.984  -0.027
   25    HA   LEU   4           HA       LEU   4 -11.667  -3.497   0.017
   26    HB2  LEU   4           HB2      LEU   4 -11.886  -5.740   2.033
   27    HB3  LEU   4           HB1      LEU   4 -10.955  -4.271   2.264
   28    HG   LEU   4           HG       LEU   4 -13.927  -4.387   1.898
   29   HD11  LEU   4          HD11      LEU   4 -13.272  -5.400   4.006
   30   HD12  LEU   4          HD12      LEU   4 -14.051  -3.843   4.284
   31   HD13  LEU   4          HD13      LEU   4 -12.298  -3.982   4.399
   32   HD21  LEU   4          HD21      LEU   4 -12.977  -2.285   1.136
   33   HD22  LEU   4          HD22      LEU   4 -12.115  -2.101   2.663
   34   HD23  LEU   4          HD23      LEU   4 -13.877  -2.041   2.634
   35    H    LEU   5           HN       LEU   5  -9.289  -3.843   0.732
   36    HA   LEU   5           HA       LEU   5  -8.246  -5.664  -1.250
   37    HB2  LEU   5           HB2      LEU   5  -6.785  -3.714   0.556
   38    HB3  LEU   5           HB1      LEU   5  -6.035  -4.754  -0.644
   39    HG   LEU   5           HG       LEU   5  -7.972  -2.520  -1.160
   40   HD11  LEU   5          HD11      LEU   5  -5.034  -2.834  -1.699
   41   HD12  LEU   5          HD12      LEU   5  -5.764  -1.802  -0.471
   42   HD13  LEU   5          HD13      LEU   5  -6.034  -1.467  -2.185
   43   HD21  LEU   5          HD21      LEU   5  -7.478  -2.938  -3.512
   44   HD22  LEU   5          HD22      LEU   5  -8.249  -4.333  -2.754
   45   HD23  LEU   5          HD23      LEU   5  -6.515  -4.345  -3.057
   46    H    THR   6           HN       THR   6  -7.544  -7.568  -0.853
   47    HA   THR   6           HA       THR   6  -7.539  -8.463   1.867
   48    HB   THR   6           HB       THR   6  -7.056 -10.722   0.826
   49    HG1  THR   6           HG1      THR   6  -7.595  -9.347  -1.634
   50   HG21  THR   6          HG21      THR   6  -9.486  -9.237  -0.194
   51   HG22  THR   6          HG22      THR   6  -9.340 -10.019   1.382
   52   HG23  THR   6          HG23      THR   6  -9.325 -10.992  -0.087
   53    H    THR   7           HN       THR   7  -5.534 -10.256   2.141
   54    HA   THR   7           HA       THR   7  -3.430  -8.387   2.554
   55    HB   THR   7           HB       THR   7  -3.135 -11.330   3.033
   56    HG1  THR   7           HG1      THR   7  -4.715  -9.427   4.539
   57   HG21  THR   7          HG21      THR   7  -2.297  -8.818   4.493
   58   HG22  THR   7          HG22      THR   7  -1.261  -9.798   3.471
   59   HG23  THR   7          HG23      THR   7  -1.890 -10.466   4.988
   60    H    ASP   8           HN       ASP   8  -3.813 -11.233   0.403
   61    HA   ASP   8           HA       ASP   8  -1.064 -11.081  -0.415
   62    HB2  ASP   8           HB2      ASP   8  -2.320 -13.225  -0.440
   63    HB3  ASP   8           HB1      ASP   8  -3.327 -12.591  -1.737
   64    H    ASP   9           HN       ASP   9  -4.102  -9.900  -1.570
   65    HA   ASP   9           HA       ASP   9  -3.250  -8.988  -4.124
   66    HB2  ASP   9           HB2      ASP   9  -5.659  -9.214  -3.362
   67    HB3  ASP   9           HB1      ASP   9  -5.403  -7.794  -2.370
   68    H    LEU  10           HN       LEU  10  -3.459  -7.479  -0.944
   69    HA   LEU  10           HA       LEU  10  -2.357  -4.977  -1.528
   70    HB2  LEU  10           HB2      LEU  10  -3.439  -5.518   0.603
   71    HB3  LEU  10           HB1      LEU  10  -2.173  -6.662   0.980
   72    HG   LEU  10           HG       LEU  10  -0.555  -4.759   1.062
   73   HD11  LEU  10          HD11      LEU  10  -3.044  -3.112   0.869
   74   HD12  LEU  10          HD12      LEU  10  -1.744  -3.201  -0.328
   75   HD13  LEU  10          HD13      LEU  10  -1.432  -2.508   1.275
   76   HD21  LEU  10          HD21      LEU  10  -1.552  -5.673   3.101
   77   HD22  LEU  10          HD22      LEU  10  -2.897  -4.540   2.953
   78   HD23  LEU  10          HD23      LEU  10  -1.258  -3.943   3.228
   79    H    ARG  11           HN       ARG  11  -0.875  -8.036  -0.516
   80    HA   ARG  11           HA       ARG  11   1.764  -7.210  -0.348
   81    HB2  ARG  11           HB2      ARG  11   1.060  -9.396   0.491
   82    HB3  ARG  11           HB1      ARG  11   0.770  -9.953  -1.154
   83    HG2  ARG  11           HG2      ARG  11   3.140  -9.684  -1.675
   84    HG3  ARG  11           HG1      ARG  11   3.431  -9.096  -0.042
   85    HD2  ARG  11           HD2      ARG  11   4.113 -11.399  -0.205
   86    HD3  ARG  11           HD1      ARG  11   2.707 -11.275   0.842
   87    HE   ARG  11           HE       ARG  11   1.382 -12.118  -1.087
   88   HH11  ARG  11          HH11      ARG  11   4.907 -12.606  -1.372
   89   HH12  ARG  11          HH12      ARG  11   4.735 -14.195  -1.933
   90   HH21  ARG  11          HH21      ARG  11   1.220 -14.201  -1.997
   91   HH22  ARG  11          HH22      ARG  11   2.651 -15.124  -2.341
   92    H    ARG  12           HN       ARG  12   0.214  -8.800  -3.131
   93    HA   ARG  12           HA       ARG  12   2.536  -8.746  -4.686
   94    HB2  ARG  12           HB2      ARG  12  -0.339  -9.040  -5.500
   95    HB3  ARG  12           HB1      ARG  12   0.989  -9.133  -6.649
   96    HG2  ARG  12           HG2      ARG  12   0.540 -10.954  -4.285
   97    HG3  ARG  12           HG1      ARG  12   0.289 -11.361  -5.985
   98    HD2  ARG  12           HD2      ARG  12   2.728 -10.871  -6.366
   99    HD3  ARG  12           HD1      ARG  12   2.902 -10.710  -4.623
  100    HE   ARG  12           HE       ARG  12   1.720 -13.165  -5.283
  101   HH11  ARG  12          HH11      ARG  12   4.867 -11.483  -5.362
  102   HH12  ARG  12          HH12      ARG  12   5.802 -12.894  -5.194
  103   HH21  ARG  12          HH21      ARG  12   3.051 -15.146  -5.148
  104   HH22  ARG  12          HH22      ARG  12   4.734 -15.007  -5.050
  105    H    ALA  13           HN       ALA  13  -0.075  -6.380  -4.605
  106    HA   ALA  13           HA       ALA  13   0.950  -4.807  -6.709
  107    HB1  ALA  13           HB1      ALA  13  -1.341  -4.594  -5.880
  108    HB2  ALA  13           HB2      ALA  13  -0.489  -3.047  -5.848
  109    HB3  ALA  13           HB3      ALA  13  -0.724  -3.954  -4.356
  110    H    LEU  14           HN       LEU  14   1.541  -4.859  -3.251
  111    HA   LEU  14           HA       LEU  14   3.132  -2.523  -3.099
  112    HB2  LEU  14           HB2      LEU  14   1.959  -3.742  -1.209
  113    HB3  LEU  14           HB1      LEU  14   3.198  -4.970  -1.310
  114    HG   LEU  14           HG       LEU  14   4.879  -3.202  -0.729
  115   HD11  LEU  14          HD11      LEU  14   4.080  -1.139   0.288
  116   HD12  LEU  14          HD12      LEU  14   2.422  -1.563  -0.127
  117   HD13  LEU  14          HD13      LEU  14   3.596  -1.242  -1.400
  118   HD21  LEU  14          HD21      LEU  14   4.040  -4.759   0.930
  119   HD22  LEU  14          HD22      LEU  14   2.665  -3.701   1.245
  120   HD23  LEU  14          HD23      LEU  14   4.297  -3.166   1.646
  121    H    VAL  15           HN       VAL  15   3.840  -5.965  -3.380
  122    HA   VAL  15           HA       VAL  15   6.617  -6.026  -3.405
  123    HB   VAL  15           HB       VAL  15   4.684  -7.756  -4.997
  124   HG11  VAL  15          HG11      VAL  15   6.921  -7.894  -5.980
  125   HG12  VAL  15          HG12      VAL  15   6.499  -9.397  -5.160
  126   HG13  VAL  15          HG13      VAL  15   7.601  -8.252  -4.393
  127   HG21  VAL  15          HG21      VAL  15   5.068  -9.388  -3.220
  128   HG22  VAL  15          HG22      VAL  15   4.391  -7.882  -2.590
  129   HG23  VAL  15          HG23      VAL  15   6.108  -8.229  -2.393
  130    H    GLU  16           HN       GLU  16   4.456  -5.682  -6.177
  131    HA   GLU  16           HA       GLU  16   6.522  -5.490  -8.083
  132    HB2  GLU  16           HB2      GLU  16   3.653  -4.629  -8.229
  133    HB3  GLU  16           HB1      GLU  16   4.754  -4.658  -9.601
  134    HG2  GLU  16           HG2      GLU  16   5.048  -7.044  -9.337
  135    HG3  GLU  16           HG1      GLU  16   3.984  -7.032  -7.932
  136    H    SER  17           HN       SER  17   4.658  -3.017  -6.398
  137    HA   SER  17           HA       SER  17   5.911  -0.954  -7.959
  138    HB2  SER  17           HB2      SER  17   4.009  -0.684  -5.644
  139    HB3  SER  17           HB1      SER  17   4.375   0.525  -6.877
  140    HG   SER  17           HG       SER  17   2.853  -1.791  -6.998
  141    H    ALA  18           HN       ALA  18   6.849  -2.675  -5.279
  142    HA   ALA  18           HA       ALA  18   8.101  -0.785  -3.601
  143    HB1  ALA  18           HB1      ALA  18   8.915  -3.621  -4.217
  144    HB2  ALA  18           HB2      ALA  18   7.767  -3.120  -2.973
  145    HB3  ALA  18           HB3      ALA  18   9.465  -2.669  -2.839
  146    H    GLY  19           HN       GLY  19   8.827  -1.950  -6.649
  147    HA2  GLY  19           HA2      GLY  19  11.050  -0.189  -6.982
  148    HA3  GLY  19           HA1      GLY  19  11.460  -1.910  -7.117
  149    H    GLU  20           HN       GLU  20  11.139  -2.860  -8.987
  150    HA   GLU  20           HA       GLU  20   8.880  -1.964 -10.551
  151    HB2  GLU  20           HB2      GLU  20  10.877  -0.725 -11.392
  152    HB3  GLU  20           HB1      GLU  20  11.617  -2.284 -11.755
  153    HG2  GLU  20           HG2      GLU  20   9.905  -2.783 -13.368
  154    HG3  GLU  20           HG1      GLU  20   9.021  -1.322 -12.937
  155    H    THR  21           HN       THR  21   7.741  -3.600 -11.074
  156    HA   THR  21           HA       THR  21   6.980  -5.683 -11.444
  157    HB   THR  21           HB       THR  21   8.231  -7.031 -13.144
  158    HG1  THR  21           HG1      THR  21  10.286  -5.776 -12.143
  159   HG21  THR  21          HG21      THR  21   6.785  -5.200 -13.840
  160   HG22  THR  21          HG22      THR  21   8.190  -5.322 -14.904
  161   HG23  THR  21          HG23      THR  21   8.122  -4.067 -13.659
  162    H    ASP  22           HN       ASP  22   7.111  -6.156  -9.220
  163    HA   ASP  22           HA       ASP  22   7.568  -7.371  -7.390
  164    HB2  ASP  22           HB2      ASP  22   8.767  -9.320  -9.391
  165    HB3  ASP  22           HB1      ASP  22   8.599  -9.682  -7.682
  166    H    GLY  23           HN       GLY  23   8.845  -5.546  -6.970
  167    HA2  GLY  23           HA2      GLY  23  11.710  -5.715  -7.304
  168    HA3  GLY  23           HA1      GLY  23  10.794  -4.409  -6.565
  169    H    THR  24           HN       THR  24   9.403  -6.033  -4.657
  170    HA   THR  24           HA       THR  24  11.454  -7.259  -3.000
  171    HB   THR  24           HB       THR  24   9.859  -4.829  -2.083
  172    HG1  THR  24           HG1      THR  24  12.233  -5.038  -3.331
  173   HG21  THR  24          HG21      THR  24  11.215  -4.984  -0.031
  174   HG22  THR  24          HG22      THR  24  11.988  -6.441  -0.654
  175   HG23  THR  24          HG23      THR  24  10.263  -6.448  -0.282
  176    H    ASP  25           HN       ASP  25  10.329  -9.157  -2.657
  177    HA   ASP  25           HA       ASP  25   7.441  -9.084  -2.375
  178    HB2  ASP  25           HB2      ASP  25   8.267 -11.008  -3.574
  179    HB3  ASP  25           HB1      ASP  25   9.344 -11.432  -2.244
  180    H    LEU  26           HN       LEU  26   6.324  -9.196  -0.621
  181    HA   LEU  26           HA       LEU  26   7.811  -9.107   1.895
  182    HB2  LEU  26           HB2      LEU  26   5.038  -8.014   1.346
  183    HB3  LEU  26           HB1      LEU  26   5.887  -7.921   2.866
  184    HG   LEU  26           HG       LEU  26   6.011  -5.788   1.981
  185   HD11  LEU  26          HD11      LEU  26   8.608  -7.099   1.281
  186   HD12  LEU  26          HD12      LEU  26   8.123  -6.454   2.848
  187   HD13  LEU  26          HD13      LEU  26   8.356  -5.366   1.481
  188   HD21  LEU  26          HD21      LEU  26   6.713  -5.228  -0.309
  189   HD22  LEU  26          HD22      LEU  26   5.263  -6.229  -0.294
  190   HD23  LEU  26          HD23      LEU  26   6.828  -6.940  -0.685
  191    H    SER  27           HN       SER  27   7.791 -11.425   1.543
  192    HA   SER  27           HA       SER  27   5.416 -12.940   1.743
  193    HB2  SER  27           HB2      SER  27   7.741 -13.633   0.858
  194    HB3  SER  27           HB1      SER  27   8.164 -13.871   2.552
  195    HG   SER  27           HG       SER  27   6.616 -15.314   0.851
  196    H    GLY  28           HN       GLY  28   4.304 -13.562   3.548
  197    HA2  GLY  28           HA2      GLY  28   4.092 -14.166   5.830
  198    HA3  GLY  28           HA1      GLY  28   5.586 -13.295   6.176
  199    H    ASP  29           HN       ASP  29   4.691 -11.948   7.796
  200    HA   ASP  29           HA       ASP  29   2.473 -10.291   6.890
  201    HB2  ASP  29           HB2      ASP  29   2.286 -11.249   9.179
  202    HB3  ASP  29           HB1      ASP  29   3.734 -10.355   9.644
  203    H    PHE  30           HN       PHE  30   2.665  -8.263   6.488
  204    HA   PHE  30           HA       PHE  30   5.254  -6.989   6.904
  205    HB2  PHE  30           HB2      PHE  30   4.936  -5.868   4.680
  206    HB3  PHE  30           HB1      PHE  30   5.216  -7.601   4.586
  207    HD1  PHE  30           HD2      PHE  30   3.293  -9.114   4.086
  208    HD2  PHE  30           HD1      PHE  30   2.954  -4.883   3.844
  209    HE1  PHE  30           HE2      PHE  30   1.263  -9.353   2.726
  210    HE2  PHE  30           HE1      PHE  30   0.921  -5.117   2.488
  211    HZ   PHE  30           HZ       PHE  30   0.082  -7.376   1.921
  212    H    LEU  31           HN       LEU  31   2.284  -6.981   7.981
  213    HA   LEU  31           HA       LEU  31   1.642  -4.204   7.553
  214    HB2  LEU  31           HB2      LEU  31   0.148  -6.472   8.838
  215    HB3  LEU  31           HB1      LEU  31  -0.296  -4.819   9.147
  216    HG   LEU  31           HG       LEU  31  -0.653  -4.478   6.733
  217   HD11  LEU  31          HD11      LEU  31  -0.927  -6.328   5.265
  218   HD12  LEU  31          HD12      LEU  31  -0.285  -7.439   6.492
  219   HD13  LEU  31          HD13      LEU  31   0.742  -6.167   5.805
  220   HD21  LEU  31          HD21      LEU  31  -2.772  -5.691   6.618
  221   HD22  LEU  31          HD22      LEU  31  -2.515  -4.932   8.188
  222   HD23  LEU  31          HD23      LEU  31  -2.273  -6.671   7.998
  223    H    ASP  32           HN       ASP  32   2.909  -6.331  10.014
  224    HA   ASP  32           HA       ASP  32   2.754  -4.269  12.031
  225    HB2  ASP  32           HB2      ASP  32   3.755  -5.779  13.553
  226    HB3  ASP  32           HB1      ASP  32   2.822  -6.823  12.498
  227    H    LEU  33           HN       LEU  33   4.681  -4.891   9.444
  228    HA   LEU  33           HA       LEU  33   7.167  -3.793  10.469
  229    HB2  LEU  33           HB2      LEU  33   6.378  -4.538   7.655
  230    HB3  LEU  33           HB1      LEU  33   7.991  -4.140   8.203
  231    HG   LEU  33           HG       LEU  33   6.390  -6.568   8.996
  232   HD11  LEU  33          HD11      LEU  33   8.822  -6.261   7.250
  233   HD12  LEU  33          HD12      LEU  33   7.190  -6.658   6.710
  234   HD13  LEU  33          HD13      LEU  33   8.080  -7.788   7.727
  235   HD21  LEU  33          HD21      LEU  33   8.434  -7.304  10.106
  236   HD22  LEU  33          HD22      LEU  33   7.826  -5.805  10.814
  237   HD23  LEU  33          HD23      LEU  33   9.205  -5.768   9.713
  238    H    ARG  34           HN       ARG  34   8.157  -1.946   9.356
  239    HA   ARG  34           HA       ARG  34   6.166   0.057   8.534
  240    HB2  ARG  34           HB2      ARG  34   9.037   0.361   9.421
  241    HB3  ARG  34           HB1      ARG  34   7.928   1.666   9.045
  242    HG2  ARG  34           HG2      ARG  34   6.666   1.279  10.991
  243    HG3  ARG  34           HG1      ARG  34   7.429  -0.294  11.262
  244    HD2  ARG  34           HD2      ARG  34   8.795   2.394  11.378
  245    HD3  ARG  34           HD1      ARG  34   8.380   1.373  12.762
  246    HE   ARG  34           HE       ARG  34   9.846  -0.265  11.192
  247   HH11  ARG  34          HH11      ARG  34  10.541   2.974  12.484
  248   HH12  ARG  34          HH12      ARG  34  12.212   2.704  12.616
  249   HH21  ARG  34          HH21      ARG  34  12.103  -0.614  11.334
  250   HH22  ARG  34          HH22      ARG  34  13.155   0.569  11.939
  251    H    PHE  35           HN       PHE  35   6.842   1.416   6.759
  252    HA   PHE  35           HA       PHE  35   7.981   0.016   4.558
  253    HB2  PHE  35           HB2      PHE  35   7.336   2.944   4.942
  254    HB3  PHE  35           HB1      PHE  35   7.957   2.304   3.432
  255    HD1  PHE  35           HD2      PHE  35   6.572   0.410   2.338
  256    HD2  PHE  35           HD1      PHE  35   5.067   2.981   5.354
  257    HE1  PHE  35           HE2      PHE  35   4.282  -0.165   1.672
  258    HE2  PHE  35           HE1      PHE  35   2.771   2.410   4.700
  259    HZ   PHE  35           HZ       PHE  35   2.383   0.933   2.743
  260    H    GLU  36           HN       GLU  36   9.208   2.102   6.980
  261    HA   GLU  36           HA       GLU  36  11.785   2.590   5.947
  262    HB2  GLU  36           HB2      GLU  36  10.775   2.450   8.780
  263    HB3  GLU  36           HB1      GLU  36  12.391   2.983   8.338
  264    HG2  GLU  36           HG2      GLU  36  11.538   4.873   7.181
  265    HG3  GLU  36           HG1      GLU  36   9.881   4.273   7.321
  266    H    ASP  37           HN       ASP  37  10.376  -0.265   7.374
  267    HA   ASP  37           HA       ASP  37  12.951  -1.470   8.002
  268    HB2  ASP  37           HB2      ASP  37  10.174  -2.691   8.005
  269    HB3  ASP  37           HB1      ASP  37  11.634  -3.554   8.443
  270    H    ILE  38           HN       ILE  38  10.469  -1.664   5.574
  271    HA   ILE  38           HA       ILE  38  11.976  -3.735   4.203
  272    HB   ILE  38           HB       ILE  38   9.927  -3.927   2.722
  273   HG12  ILE  38          HG12      ILE  38   8.758  -2.121   4.868
  274   HG13  ILE  38          HG11      ILE  38   8.967  -1.702   3.175
  275   HG21  ILE  38          HG21      ILE  38  10.414  -5.483   4.524
  276   HG22  ILE  38          HG22      ILE  38   8.677  -5.189   4.422
  277   HG23  ILE  38          HG23      ILE  38   9.632  -4.411   5.687
  278   HD11  ILE  38          HD11      ILE  38   6.652  -2.235   3.681
  279   HD12  ILE  38          HD12      ILE  38   7.129  -3.835   4.251
  280   HD13  ILE  38          HD13      ILE  38   7.333  -3.406   2.552
  281    H    GLY  39           HN       GLY  39  12.618  -0.858   4.259
  282    HA2  GLY  39           HA2      GLY  39  13.677   0.651   2.927
  283    HA3  GLY  39           HA1      GLY  39  13.982  -0.712   1.877
  284    H    TYR  40           HN       TYR  40  11.093   1.333   2.636
  285    HA   TYR  40           HA       TYR  40  10.674   1.437  -0.235
  286    HB2  TYR  40           HB2      TYR  40   8.786   1.799   2.066
  287    HB3  TYR  40           HB1      TYR  40   8.471   2.521   0.516
  288    HD1  TYR  40           HD1      TYR  40   9.926  -0.776   1.417
  289    HD2  TYR  40           HD2      TYR  40   6.785   1.335  -0.497
  290    HE1  TYR  40           HE1      TYR  40   8.966  -2.899   0.650
  291    HE2  TYR  40           HE2      TYR  40   5.826  -0.770  -1.284
  292    HH   TYR  40           HH       TYR  40   6.549  -3.047  -1.734
  293    H    ASP  41           HN       ASP  41  11.296   3.100  -1.309
  294    HA   ASP  41           HA       ASP  41  11.636   5.689  -0.146
  295    HB2  ASP  41           HB2      ASP  41  12.931   5.013  -2.158
  296    HB3  ASP  41           HB1      ASP  41  11.432   4.828  -3.060
  297    H    SER  42           HN       SER  42  10.202   7.463  -0.463
  298    HA   SER  42           HA       SER  42   7.548   6.750  -0.180
  299    HB2  SER  42           HB2      SER  42   7.242   9.302  -0.437
  300    HB3  SER  42           HB1      SER  42   8.131   8.666   0.949
  301    H    LEU  43           HN       LEU  43   9.277   7.570  -3.123
  302    HA   LEU  43           HA       LEU  43   6.902   8.118  -4.612
  303    HB2  LEU  43           HB2      LEU  43   9.234   8.827  -5.301
  304    HB3  LEU  43           HB1      LEU  43   9.584   7.159  -5.670
  305    HG   LEU  43           HG       LEU  43   7.439   8.752  -7.118
  306   HD11  LEU  43          HD11      LEU  43  10.310   8.286  -7.901
  307   HD12  LEU  43          HD12      LEU  43   9.598   9.827  -7.422
  308   HD13  LEU  43          HD13      LEU  43   9.074   9.036  -8.909
  309   HD21  LEU  43          HD21      LEU  43   8.912   6.218  -7.886
  310   HD22  LEU  43          HD22      LEU  43   7.698   7.045  -8.862
  311   HD23  LEU  43          HD23      LEU  43   7.241   6.300  -7.331
  312    H    ALA  44           HN       ALA  44   8.887   5.269  -4.035
  313    HA   ALA  44           HA       ALA  44   7.461   3.464  -5.673
  314    HB1  ALA  44           HB1      ALA  44   9.696   2.969  -4.766
  315    HB2  ALA  44           HB2      ALA  44   8.543   1.704  -4.337
  316    HB3  ALA  44           HB3      ALA  44   9.017   2.908  -3.140
  317    H    LEU  45           HN       LEU  45   7.068   4.505  -2.370
  318    HA   LEU  45           HA       LEU  45   4.991   2.756  -1.653
  319    HB2  LEU  45           HB2      LEU  45   6.337   4.115  -0.067
  320    HB3  LEU  45           HB1      LEU  45   5.541   5.557  -0.648
  321    HG   LEU  45           HG       LEU  45   4.029   3.317   0.678
  322   HD11  LEU  45          HD11      LEU  45   5.239   5.804   1.915
  323   HD12  LEU  45          HD12      LEU  45   5.775   4.148   2.212
  324   HD13  LEU  45          HD13      LEU  45   4.175   4.667   2.741
  325   HD21  LEU  45          HD21      LEU  45   2.431   5.052   1.194
  326   HD22  LEU  45          HD22      LEU  45   2.681   4.856  -0.543
  327   HD23  LEU  45          HD23      LEU  45   3.418   6.231   0.313
  328    H    MET  46           HN       MET  46   4.933   6.052  -3.018
  329    HA   MET  46           HA       MET  46   2.105   6.235  -3.092
  330    HB2  MET  46           HB2      MET  46   4.093   7.697  -4.822
  331    HB3  MET  46           HB1      MET  46   2.388   8.090  -4.677
  332    HG2  MET  46           HG2      MET  46   2.863   8.296  -2.204
  333    HG3  MET  46           HG1      MET  46   4.554   8.335  -2.674
  334    HE1  MET  46           HE1      MET  46   1.103  10.180  -3.022
  335    HE2  MET  46           HE2      MET  46   1.501   9.780  -4.692
  336    HE3  MET  46           HE3      MET  46   1.497  11.465  -4.166
  337    H    GLU  47           HN       GLU  47   4.473   5.184  -5.387
  338    HA   GLU  47           HA       GLU  47   2.967   4.748  -7.650
  339    HB2  GLU  47           HB2      GLU  47   5.394   4.567  -7.282
  340    HB3  GLU  47           HB1      GLU  47   5.153   3.038  -6.483
  341    HG2  GLU  47           HG2      GLU  47   5.886   2.623  -8.749
  342    HG3  GLU  47           HG1      GLU  47   4.233   2.055  -8.533
  343    H    THR  48           HN       THR  48   3.513   2.646  -4.868
  344    HA   THR  48           HA       THR  48   1.889   0.472  -5.609
  345    HB   THR  48           HB       THR  48   2.493   1.489  -2.824
  346    HG1  THR  48           HG1      THR  48   4.480   1.119  -3.915
  347   HG21  THR  48          HG21      THR  48   0.722  -0.198  -2.937
  348   HG22  THR  48          HG22      THR  48   2.178  -0.859  -2.197
  349   HG23  THR  48          HG23      THR  48   1.783  -1.254  -3.869
  350    H    ALA  49           HN       ALA  49   1.297   3.106  -3.303
  351    HA   ALA  49           HA       ALA  49  -1.299   2.518  -2.594
  352    HB1  ALA  49           HB1      ALA  49  -1.397   4.763  -1.690
  353    HB2  ALA  49           HB2      ALA  49  -0.051   5.266  -2.712
  354    HB3  ALA  49           HB3      ALA  49   0.221   4.100  -1.424
  355    H    ALA  50           HN       ALA  50  -0.222   4.784  -5.142
  356    HA   ALA  50           HA       ALA  50  -2.817   5.518  -5.960
  357    HB1  ALA  50           HB1      ALA  50  -0.826   6.865  -6.464
  358    HB2  ALA  50           HB2      ALA  50  -1.735   6.471  -7.924
  359    HB3  ALA  50           HB3      ALA  50  -0.250   5.596  -7.548
  360    H    ARG  51           HN       ARG  51  -0.664   2.912  -6.931
  361    HA   ARG  51           HA       ARG  51  -2.148   2.123  -9.193
  362    HB2  ARG  51           HB2      ARG  51   0.122   1.383  -9.015
  363    HB3  ARG  51           HB1      ARG  51  -0.182   0.613  -7.473
  364    HG2  ARG  51           HG2      ARG  51  -1.305  -1.187  -8.476
  365    HG3  ARG  51           HG1      ARG  51  -1.511  -0.312  -9.996
  366    HD2  ARG  51           HD2      ARG  51   1.197  -1.021  -8.887
  367    HD3  ARG  51           HD1      ARG  51   0.300  -2.092  -9.971
  368    HE   ARG  51           HE       ARG  51   0.269  -0.205 -11.552
  369   HH11  ARG  51          HH11      ARG  51   2.959  -0.388  -9.188
  370   HH12  ARG  51          HH12      ARG  51   4.031   0.482 -10.184
  371   HH21  ARG  51          HH21      ARG  51   1.790   0.986 -12.873
  372   HH22  ARG  51          HH22      ARG  51   3.363   1.283 -12.316
  373    H    LEU  52           HN       LEU  52  -2.344   1.219  -5.826
  374    HA   LEU  52           HA       LEU  52  -4.374  -0.723  -6.199
  375    HB2  LEU  52           HB2      LEU  52  -3.540   0.889  -3.800
  376    HB3  LEU  52           HB1      LEU  52  -4.831  -0.296  -3.739
  377    HG   LEU  52           HG       LEU  52  -1.999  -0.953  -4.547
  378   HD11  LEU  52          HD11      LEU  52  -1.797  -1.961  -2.331
  379   HD12  LEU  52          HD12      LEU  52  -3.401  -1.356  -1.906
  380   HD13  LEU  52          HD13      LEU  52  -2.084  -0.225  -2.214
  381   HD21  LEU  52          HD21      LEU  52  -3.707  -2.446  -5.447
  382   HD22  LEU  52          HD22      LEU  52  -4.369  -2.677  -3.829
  383   HD23  LEU  52          HD23      LEU  52  -2.748  -3.257  -4.208
  384    H    GLU  53           HN       GLU  53  -4.638   2.628  -4.942
  385    HA   GLU  53           HA       GLU  53  -7.232   2.906  -4.890
  386    HB2  GLU  53           HB2      GLU  53  -5.157   4.928  -5.687
  387    HB3  GLU  53           HB1      GLU  53  -6.823   5.311  -5.269
  388    HG2  GLU  53           HG2      GLU  53  -4.874   3.960  -3.429
  389    HG3  GLU  53           HG1      GLU  53  -5.263   5.680  -3.457
  390    H    SER  54           HN       SER  54  -5.219   3.605  -7.787
  391    HA   SER  54           HA       SER  54  -7.369   4.444  -9.417
  392    HB2  SER  54           HB2      SER  54  -4.984   5.020  -9.830
  393    HB3  SER  54           HB1      SER  54  -4.675   3.349 -10.282
  394    HG   SER  54           HG       SER  54  -6.053   3.604 -12.044
  395    H    ARG  55           HN       ARG  55  -6.218   1.302  -8.577
  396    HA   ARG  55           HA       ARG  55  -7.342  -0.058 -10.845
  397    HB2  ARG  55           HB2      ARG  55  -5.349  -0.892  -9.658
  398    HB3  ARG  55           HB1      ARG  55  -6.303  -1.101  -8.206
  399    HG2  ARG  55           HG2      ARG  55  -7.617  -2.835  -9.320
  400    HG3  ARG  55           HG1      ARG  55  -6.659  -2.610 -10.786
  401    HD2  ARG  55           HD2      ARG  55  -4.649  -3.280  -9.625
  402    HD3  ARG  55           HD1      ARG  55  -5.530  -3.394  -8.102
  403    HE   ARG  55           HE       ARG  55  -6.316  -5.057 -10.372
  404   HH11  ARG  55          HH11      ARG  55  -4.789  -4.859  -7.186
  405   HH12  ARG  55          HH12      ARG  55  -5.083  -6.478  -6.750
  406   HH21  ARG  55          HH21      ARG  55  -6.656  -7.326  -9.838
  407   HH22  ARG  55          HH22      ARG  55  -6.160  -7.923  -8.313
  408    H    TYR  56           HN       TYR  56  -8.514   1.078  -7.812
  409    HA   TYR  56           HA       TYR  56 -10.885  -0.607  -8.156
  410    HB2  TYR  56           HB2      TYR  56  -9.593   0.293  -5.590
  411    HB3  TYR  56           HB1      TYR  56 -11.230  -0.352  -5.648
  412    HD1  TYR  56           HD2      TYR  56  -7.680  -1.144  -6.196
  413    HD2  TYR  56           HD1      TYR  56 -11.623  -2.719  -5.947
  414    HE1  TYR  56           HE2      TYR  56  -6.759  -3.415  -6.053
  415    HE2  TYR  56           HE1      TYR  56 -10.711  -4.996  -5.786
  416    HH   TYR  56           HH       TYR  56  -8.591  -6.242  -6.399
  417    H    GLY  57           HN       GLY  57  -9.867   2.639  -8.054
  418    HA2  GLY  57           HA2      GLY  57 -11.321   4.357  -8.869
  419    HA3  GLY  57           HA1      GLY  57 -12.695   3.455  -8.233
  420    H    VAL  58           HN       VAL  58  -9.650   4.448  -6.814
  421    HA   VAL  58           HA       VAL  58 -10.959   6.111  -4.879
  422    HB   VAL  58           HB       VAL  58  -9.205   4.787  -3.197
  423   HG11  VAL  58          HG11      VAL  58 -12.006   4.070  -3.912
  424   HG12  VAL  58          HG12      VAL  58 -11.519   5.380  -2.788
  425   HG13  VAL  58          HG13      VAL  58 -11.174   3.672  -2.400
  426   HG21  VAL  58          HG21      VAL  58  -8.934   3.120  -5.138
  427   HG22  VAL  58          HG22      VAL  58 -10.580   2.625  -4.753
  428   HG23  VAL  58          HG23      VAL  58  -9.311   2.475  -3.540
  429    H    SER  59           HN       SER  59  -8.919   6.970  -3.266
  430    HA   SER  59           HA       SER  59  -6.624   7.645  -4.878
  431    HB2  SER  59           HB2      SER  59  -8.580   9.841  -4.140
  432    HB3  SER  59           HB1      SER  59  -7.009  10.068  -4.904
  433    HG   SER  59           HG       SER  59  -8.400   8.264  -6.252
  434    H    ILE  60           HN       ILE  60  -4.979   7.495  -3.402
  435    HA   ILE  60           HA       ILE  60  -5.350   8.427  -0.650
  436    HB   ILE  60           HB       ILE  60  -2.977   7.008  -1.958
  437   HG12  ILE  60          HG12      ILE  60  -4.885   5.508  -1.540
  438   HG13  ILE  60          HG11      ILE  60  -3.526   5.101  -0.501
  439   HG21  ILE  60          HG21      ILE  60  -3.245   7.837   0.932
  440   HG22  ILE  60          HG22      ILE  60  -2.104   8.488  -0.242
  441   HG23  ILE  60          HG23      ILE  60  -1.957   6.820   0.298
  442   HD11  ILE  60          HD11      ILE  60  -5.626   4.961   0.676
  443   HD12  ILE  60          HD12      ILE  60  -5.982   6.643   0.282
  444   HD13  ILE  60          HD13      ILE  60  -4.628   6.252   1.342
  445    HA   PRO  61           HA       PRO  61  -3.722  12.389  -1.989
  446    HB2  PRO  61           HB2      PRO  61  -3.515  12.826   0.939
  447    HB3  PRO  61           HB1      PRO  61  -4.335  13.799  -0.289
  448    HG2  PRO  61           HG2      PRO  61  -5.737  12.309   1.402
  449    HG3  PRO  61           HG1      PRO  61  -6.214  12.434  -0.301
  450    HD2  PRO  61           HD2      PRO  61  -4.760  10.217   1.099
  451    HD3  PRO  61           HD1      PRO  61  -6.067  10.123  -0.101
  452    H    ASP  62           HN       ASP  62  -1.810  13.376  -2.073
  453    HA   ASP  62           HA       ASP  62   0.484  11.858  -2.025
  454    HB2  ASP  62           HB2      ASP  62   1.744  14.040  -2.390
  455    HB3  ASP  62           HB1      ASP  62   0.484  13.643  -3.544
  456    H    ASP  63           HN       ASP  63  -0.249  14.406   0.380
  457    HA   ASP  63           HA       ASP  63   2.162  13.925   1.818
  458    HB2  ASP  63           HB2      ASP  63   1.015  16.043   2.141
  459    HB3  ASP  63           HB1      ASP  63  -0.407  15.215   2.773
  460    H    VAL  64           HN       VAL  64  -0.959  12.523   1.903
  461    HA   VAL  64           HA       VAL  64  -0.734  11.179   4.413
  462    HB   VAL  64           HB       VAL  64  -2.460  10.525   2.018
  463   HG11  VAL  64          HG11      VAL  64  -3.933   9.383   3.652
  464   HG12  VAL  64          HG12      VAL  64  -2.763   9.729   4.927
  465   HG13  VAL  64          HG13      VAL  64  -2.327   8.654   3.599
  466   HG21  VAL  64          HG21      VAL  64  -3.070  12.214   4.448
  467   HG22  VAL  64          HG22      VAL  64  -4.231  11.777   3.190
  468   HG23  VAL  64          HG23      VAL  64  -2.847  12.794   2.796
  469    H    ALA  65           HN       ALA  65  -0.251  10.238   1.037
  470    HA   ALA  65           HA       ALA  65   0.534   7.595   1.521
  471    HB1  ALA  65           HB1      ALA  65   1.387   9.409  -0.739
  472    HB2  ALA  65           HB2      ALA  65  -0.075   8.418  -0.715
  473    HB3  ALA  65           HB3      ALA  65   1.514   7.648  -0.713
  474    H    GLY  66           HN       GLY  66   2.460  10.569   1.079
  475    HA2  GLY  66           HA2      GLY  66   4.901   9.247   1.904
  476    HA3  GLY  66           HA1      GLY  66   4.702  10.968   1.572
  477    H    ARG  67           HN       ARG  67   3.203   8.728   3.786
  478    HA   ARG  67           HA       ARG  67   4.155  10.096   6.154
  479    HB2  ARG  67           HB2      ARG  67   2.222  11.437   5.644
  480    HB3  ARG  67           HB1      ARG  67   1.240  10.006   5.386
  481    HG2  ARG  67           HG2      ARG  67   1.460   9.450   7.755
  482    HG3  ARG  67           HG1      ARG  67   2.408  10.922   7.993
  483    HD2  ARG  67           HD2      ARG  67   0.528  12.270   7.259
  484    HD3  ARG  67           HD1      ARG  67  -0.418  10.807   6.967
  485    HE   ARG  67           HE       ARG  67   0.629  11.057   9.613
  486   HH11  ARG  67          HH11      ARG  67  -2.063  11.988   7.536
  487   HH12  ARG  67          HH12      ARG  67  -3.247  11.955   8.771
  488   HH21  ARG  67          HH21      ARG  67  -0.956  11.098  11.331
  489   HH22  ARG  67          HH22      ARG  67  -2.576  11.530  11.021
  490    H    VAL  68           HN       VAL  68   1.723   7.777   4.919
  491    HA   VAL  68           HA       VAL  68   1.439   6.148   7.084
  492    HB   VAL  68           HB       VAL  68   0.901   4.257   5.513
  493   HG11  VAL  68          HG11      VAL  68  -0.322   6.932   4.912
  494   HG12  VAL  68          HG12      VAL  68  -0.766   5.840   6.225
  495   HG13  VAL  68          HG13      VAL  68  -1.047   5.366   4.551
  496   HG21  VAL  68          HG21      VAL  68   0.776   4.763   3.085
  497   HG22  VAL  68          HG22      VAL  68   2.443   4.753   3.647
  498   HG23  VAL  68          HG23      VAL  68   1.609   6.282   3.365
  499    H    ASP  69           HN       ASP  69   2.573   4.804   8.227
  500    HA   ASP  69           HA       ASP  69   5.342   4.424   7.387
  501    HB2  ASP  69           HB2      ASP  69   4.109   4.185  10.132
  502    HB3  ASP  69           HB1      ASP  69   5.807   3.919   9.754
  503    H    THR  70           HN       THR  70   2.569   2.708   8.533
  504    HA   THR  70           HA       THR  70   4.030   0.236   7.962
  505    HB   THR  70           HB       THR  70   2.262  -0.870   9.377
  506    HG1  THR  70           HG1      THR  70   1.541   1.857   9.866
  507   HG21  THR  70          HG21      THR  70   3.772   1.366  10.718
  508   HG22  THR  70          HG22      THR  70   4.425  -0.239  10.359
  509   HG23  THR  70          HG23      THR  70   3.111  -0.055  11.529
  510    HA   PRO  71           HA       PRO  71   1.523  -0.386   4.273
  511    HB2  PRO  71           HB2      PRO  71   1.797  -3.224   5.164
  512    HB3  PRO  71           HB1      PRO  71   2.014  -2.538   3.548
  513    HG2  PRO  71           HG2      PRO  71   4.145  -3.120   4.959
  514    HG3  PRO  71           HG1      PRO  71   4.074  -1.547   4.134
  515    HD2  PRO  71           HD2      PRO  71   3.628  -2.181   7.033
  516    HD3  PRO  71           HD1      PRO  71   4.520  -0.826   6.303
  517    H    ARG  72           HN       ARG  72   0.718  -1.713   7.396
  518    HA   ARG  72           HA       ARG  72  -1.852  -2.612   6.736
  519    HB2  ARG  72           HB2      ARG  72  -2.390  -2.453   9.167
  520    HB3  ARG  72           HB1      ARG  72  -0.905  -3.326   8.827
  521    HG2  ARG  72           HG2      ARG  72   0.407  -1.441   9.512
  522    HG3  ARG  72           HG1      ARG  72  -1.046  -0.460   9.712
  523    HD2  ARG  72           HD2      ARG  72  -0.434  -2.978  11.244
  524    HD3  ARG  72           HD1      ARG  72  -0.152  -1.342  11.839
  525    HE   ARG  72           HE       ARG  72  -2.842  -1.692  10.980
  526   HH11  ARG  72          HH11      ARG  72  -0.705  -2.692  13.620
  527   HH12  ARG  72          HH12      ARG  72  -1.904  -2.567  14.813
  528   HH21  ARG  72          HH21      ARG  72  -4.485  -1.476  12.621
  529   HH22  ARG  72          HH22      ARG  72  -4.098  -1.858  14.246
  530    H    GLU  73           HN       GLU  73  -0.555   0.553   7.647
  531    HA   GLU  73           HA       GLU  73  -2.971   1.954   8.039
  532    HB2  GLU  73           HB2      GLU  73  -0.241   2.871   7.150
  533    HB3  GLU  73           HB1      GLU  73  -1.564   3.977   7.450
  534    HG2  GLU  73           HG2      GLU  73  -1.615   3.348   9.759
  535    HG3  GLU  73           HG1      GLU  73  -0.388   2.109   9.477
  536    H    LEU  74           HN       LEU  74  -1.026   1.228   5.247
  537    HA   LEU  74           HA       LEU  74  -2.350   2.899   3.392
  538    HB2  LEU  74           HB2      LEU  74  -0.087   1.656   3.174
  539    HB3  LEU  74           HB1      LEU  74  -1.031   0.247   2.760
  540    HG   LEU  74           HG       LEU  74  -1.040   2.810   1.144
  541   HD11  LEU  74          HD11      LEU  74   0.431   1.632  -0.412
  542   HD12  LEU  74          HD12      LEU  74   0.534   0.279   0.716
  543   HD13  LEU  74          HD13      LEU  74   1.189   1.853   1.163
  544   HD21  LEU  74          HD21      LEU  74  -3.011   1.385   0.803
  545   HD22  LEU  74          HD22      LEU  74  -1.957   0.013   0.467
  546   HD23  LEU  74          HD23      LEU  74  -1.974   1.401  -0.623
  547    H    LEU  75           HN       LEU  75  -2.792  -0.486   4.321
  548    HA   LEU  75           HA       LEU  75  -5.062  -0.981   2.696
  549    HB2  LEU  75           HB2      LEU  75  -3.766  -2.830   3.514
  550    HB3  LEU  75           HB1      LEU  75  -4.010  -2.342   5.175
  551    HG   LEU  75           HG       LEU  75  -6.376  -2.953   5.025
  552   HD11  LEU  75          HD11      LEU  75  -5.746  -3.877   2.222
  553   HD12  LEU  75          HD12      LEU  75  -6.755  -2.499   2.666
  554   HD13  LEU  75          HD13      LEU  75  -7.268  -4.123   3.080
  555   HD21  LEU  75          HD21      LEU  75  -4.763  -4.620   5.760
  556   HD22  LEU  75          HD22      LEU  75  -4.516  -5.133   4.091
  557   HD23  LEU  75          HD23      LEU  75  -6.081  -5.376   4.867
  558    H    ASP  76           HN       ASP  76  -4.634   0.297   5.890
  559    HA   ASP  76           HA       ASP  76  -7.296   0.166   6.830
  560    HB2  ASP  76           HB2      ASP  76  -5.299   0.457   8.262
  561    HB3  ASP  76           HB1      ASP  76  -5.047   2.048   7.571
  562    H    LEU  77           HN       LEU  77  -5.388   2.705   5.304
  563    HA   LEU  77           HA       LEU  77  -7.279   4.741   5.147
  564    HB2  LEU  77           HB2      LEU  77  -5.150   3.992   3.154
  565    HB3  LEU  77           HB1      LEU  77  -6.038   5.491   3.140
  566    HG   LEU  77           HG       LEU  77  -4.073   4.594   5.244
  567   HD11  LEU  77          HD11      LEU  77  -3.942   6.740   3.140
  568   HD12  LEU  77          HD12      LEU  77  -3.046   5.230   3.141
  569   HD13  LEU  77          HD13      LEU  77  -2.724   6.439   4.374
  570   HD21  LEU  77          HD21      LEU  77  -5.635   7.168   5.006
  571   HD22  LEU  77          HD22      LEU  77  -4.374   6.828   6.193
  572   HD23  LEU  77          HD23      LEU  77  -5.884   5.922   6.227
  573    H    ILE  78           HN       ILE  78  -6.440   2.285   2.722
  574    HA   ILE  78           HA       ILE  78  -8.486   2.970   0.930
  575    HB   ILE  78           HB       ILE  78  -7.000   0.347   1.161
  576   HG12  ILE  78          HG12      ILE  78  -6.417   2.868  -0.396
  577   HG13  ILE  78          HG11      ILE  78  -5.430   2.127   0.861
  578   HG21  ILE  78          HG21      ILE  78  -9.028   0.125  -0.203
  579   HG22  ILE  78          HG22      ILE  78  -7.589   0.026  -1.214
  580   HG23  ILE  78          HG23      ILE  78  -8.537   1.515  -1.173
  581   HD11  ILE  78          HD11      ILE  78  -4.477   1.722  -1.337
  582   HD12  ILE  78          HD12      ILE  78  -6.017   1.022  -1.849
  583   HD13  ILE  78          HD13      ILE  78  -5.056   0.198  -0.623
  584    H    ASN  79           HN       ASN  79  -8.476   0.986   3.723
  585    HA   ASN  79           HA       ASN  79 -10.808  -0.522   3.213
  586    HB2  ASN  79           HB2      ASN  79  -9.087  -0.068   5.469
  587    HB3  ASN  79           HB1      ASN  79 -10.772   0.006   5.986
  588   HD21  ASN  79          HD21      ASN  79  -8.333  -1.966   4.502
  589   HD22  ASN  79          HD22      ASN  79  -9.125  -3.486   4.751
  590    H    GLY  80           HN       GLY  80 -10.327   2.697   4.503
  591    HA2  GLY  80           HA2      GLY  80 -13.161   3.097   4.892
  592    HA3  GLY  80           HA1      GLY  80 -11.896   4.310   5.080
  593    H    ALA  81           HN       ALA  81 -10.810   3.578   2.429
  594    HA   ALA  81           HA       ALA  81 -12.194   5.526   0.902
  595    HB1  ALA  81           HB1      ALA  81  -9.782   5.182   0.719
  596    HB2  ALA  81           HB2      ALA  81 -10.567   4.960  -0.843
  597    HB3  ALA  81           HB3      ALA  81 -10.054   3.554   0.096
  598    H    LEU  82           HN       LEU  82 -11.773   2.034   0.630
  599    HA   LEU  82           HA       LEU  82 -13.572   1.750  -1.540
  600    HB2  LEU  82           HB2      LEU  82 -12.215  -0.236   0.253
  601    HB3  LEU  82           HB1      LEU  82 -13.320  -0.719  -1.012
  602    HG   LEU  82           HG       LEU  82 -10.659   0.708  -1.400
  603   HD11  LEU  82          HD11      LEU  82 -10.004  -1.333  -2.513
  604   HD12  LEU  82          HD12      LEU  82 -11.566  -2.059  -2.129
  605   HD13  LEU  82          HD13      LEU  82 -10.449  -1.639  -0.833
  606   HD21  LEU  82          HD21      LEU  82 -11.108   0.469  -3.781
  607   HD22  LEU  82          HD22      LEU  82 -12.336   1.477  -3.017
  608   HD23  LEU  82          HD23      LEU  82 -12.703  -0.200  -3.428
  609    H    ALA  83           HN       ALA  83 -14.143   2.310   1.659
  610    HA   ALA  83           HA       ALA  83 -16.416   0.652   2.066
  611    HB1  ALA  83           HB1      ALA  83 -16.920   2.127   3.950
  612    HB2  ALA  83           HB2      ALA  83 -15.721   3.285   3.374
  613    HB3  ALA  83           HB3      ALA  83 -15.212   1.693   3.934
  614    H    GLU  84           HN       GLU  84 -15.836   3.432   0.224
  615    HA   GLU  84           HA       GLU  84 -18.641   4.190   0.012
  616    HB2  GLU  84           HB2      GLU  84 -16.139   5.358  -1.224
  617    HB3  GLU  84           HB1      GLU  84 -17.758   5.987  -1.490
  618    HG2  GLU  84           HG2      GLU  84 -16.358   5.825   1.169
  619    HG3  GLU  84           HG1      GLU  84 -16.539   7.277   0.182
  620    H    ALA  85           HN       ALA  85 -16.822   1.816  -1.244
  621    HA   ALA  85           HA       ALA  85 -17.799   2.053  -3.970
  622    HB1  ALA  85           HB1      ALA  85 -16.333   0.138  -4.430
  623    HB2  ALA  85           HB2      ALA  85 -15.902   0.062  -2.721
  624    HB3  ALA  85           HB3      ALA  85 -15.437   1.462  -3.685
  625    H    ALA  86           HN       ALA  86 -19.009   0.372  -4.860
  626    HA   ALA  86           HA       ALA  86 -20.350  -1.364  -2.917
  627    HB1  ALA  86           HB1      ALA  86 -22.438  -1.068  -4.185
  628    HB2  ALA  86           HB2      ALA  86 -21.619   0.075  -5.255
  629    HB3  ALA  86           HB3      ALA  86 -21.843   0.468  -3.552
  630    H28  SXM  87          H28A      SXM  87   8.072  13.381  -1.418
  631   H28A  SXM  87          H28B      SXM  87   7.036  12.434  -2.483
  632    H30  SXM  87          H30A      SXM  87   5.278  11.249  -0.402
  633   H30A  SXM  87          H30B      SXM  87   4.748  11.976  -1.919
  634   H30B  SXM  87          H30C      SXM  87   4.058  12.522  -0.389
  635    H31  SXM  87          H31C      SXM  87   5.479  13.886   1.209
  636   H31A  SXM  87          H31A      SXM  87   7.160  14.216   0.789
  637   H31B  SXM  87          H31B      SXM  87   6.665  12.579   1.217
  638    H32  SXM  87          H32A      SXM  87   5.285  14.257  -2.496
  639   HO33  SXM  87          H33A      SXM  87   6.521  16.106  -2.333
  640   HN36  SXM  87          H36A      SXM  87   5.028  16.869  -1.965
  641    H37  SXM  87          H37B      SXM  87   3.526  17.696   0.221
  642   H37A  SXM  87          H37A      SXM  87   2.408  17.112  -1.011
  643    H38  SXM  87          H38A      SXM  87   2.759  19.521  -1.190
  644   H38A  SXM  87          H38B      SXM  87   4.489  19.259  -1.378
  645   HN41  SXM  87          H41A      SXM  87   3.856  20.639  -3.221
  646    H42  SXM  87          H42A      SXM  87   4.049  19.249  -5.673
  647   H42A  SXM  87          H42B      SXM  87   2.437  19.928  -5.465
  648    H43  SXM  87          H43A      SXM  87   3.787  21.547  -6.625
  649   H43A  SXM  87          H43B      SXM  87   5.018  21.436  -5.362
  650    H2   SXM  87           H2A      SXM  87   2.565  25.027  -4.048
  651    H2A  SXM  87           H2B      SXM  87   3.257  25.961  -5.366
  Start of MODEL   16
    1    H1   MET   1           HT1      MET   1 -19.332  -6.826   2.750
    2    H2   MET   1           HT2      MET   1 -20.904  -6.229   2.802
    3    H3   MET   1           HT3      MET   1 -20.296  -7.123   4.113
    4    HA   MET   1           HA       MET   1 -20.426  -4.742   4.523
    5    HB2  MET   1           HB2      MET   1 -18.871  -6.156   5.790
    6    HB3  MET   1           HB1      MET   1 -17.661  -5.981   4.530
    7    HG2  MET   1           HG2      MET   1 -17.160  -4.573   6.440
    8    HG3  MET   1           HG1      MET   1 -17.493  -3.602   5.007
    9    HE1  MET   1           HE1      MET   1 -20.513  -4.209   8.447
   10    HE2  MET   1           HE2      MET   1 -18.902  -4.927   8.425
   11    HE3  MET   1           HE3      MET   1 -20.124  -5.460   7.267
   12    H    ALA   2           HN       ALA   2 -17.482  -5.355   2.580
   13    HA   ALA   2           HA       ALA   2 -18.106  -3.466   0.580
   14    HB1  ALA   2           HB1      ALA   2 -17.598  -1.850   2.369
   15    HB2  ALA   2           HB2      ALA   2 -16.352  -1.818   1.122
   16    HB3  ALA   2           HB3      ALA   2 -16.050  -2.643   2.650
   17    H    THR   3           HN       THR   3 -16.810  -3.925  -1.130
   18    HA   THR   3           HA       THR   3 -14.994  -6.108  -1.018
   19    HB   THR   3           HB       THR   3 -15.196  -4.000  -3.092
   20    HG1  THR   3           HG1      THR   3 -17.151  -4.683  -3.568
   21   HG21  THR   3          HG21      THR   3 -13.452  -5.667  -3.433
   22   HG22  THR   3          HG22      THR   3 -14.719  -5.873  -4.641
   23   HG23  THR   3          HG23      THR   3 -14.632  -6.968  -3.261
   24    H    LEU   4           HN       LEU   4 -13.130  -5.787   0.130
   25    HA   LEU   4           HA       LEU   4 -11.689  -3.218  -0.148
   26    HB2  LEU   4           HB2      LEU   4 -11.382  -5.309   2.006
   27    HB3  LEU   4           HB1      LEU   4 -10.631  -3.728   1.966
   28    HG   LEU   4           HG       LEU   4 -13.545  -4.320   2.304
   29   HD11  LEU   4          HD11      LEU   4 -11.511  -3.270   4.246
   30   HD12  LEU   4          HD12      LEU   4 -12.276  -4.861   4.274
   31   HD13  LEU   4          HD13      LEU   4 -13.241  -3.411   4.562
   32   HD21  LEU   4          HD21      LEU   4 -13.792  -1.900   2.741
   33   HD22  LEU   4          HD22      LEU   4 -13.292  -2.261   1.091
   34   HD23  LEU   4          HD23      LEU   4 -12.110  -1.670   2.252
   35    H    LEU   5           HN       LEU   5  -9.247  -3.601   0.270
   36    HA   LEU   5           HA       LEU   5  -8.282  -5.546  -1.625
   37    HB2  LEU   5           HB2      LEU   5  -6.832  -3.622   0.219
   38    HB3  LEU   5           HB1      LEU   5  -6.029  -4.726  -0.881
   39    HG   LEU   5           HG       LEU   5  -7.823  -2.433  -1.617
   40   HD11  LEU   5          HD11      LEU   5  -5.643  -1.787  -0.724
   41   HD12  LEU   5          HD12      LEU   5  -5.747  -1.474  -2.455
   42   HD13  LEU   5          HD13      LEU   5  -4.853  -2.874  -1.864
   43   HD21  LEU   5          HD21      LEU   5  -7.118  -2.923  -3.887
   44   HD22  LEU   5          HD22      LEU   5  -7.992  -4.283  -3.182
   45   HD23  LEU   5          HD23      LEU   5  -6.235  -4.335  -3.312
   46    H    THR   6           HN       THR   6  -7.283  -7.477  -1.095
   47    HA   THR   6           HA       THR   6  -7.539  -8.313   1.652
   48    HB   THR   6           HB       THR   6  -6.598 -10.471   0.848
   49    HG1  THR   6           HG1      THR   6  -6.583  -9.302  -1.744
   50   HG21  THR   6          HG21      THR   6  -8.391 -11.075  -0.724
   51   HG22  THR   6          HG22      THR   6  -8.730  -9.368  -1.000
   52   HG23  THR   6          HG23      THR   6  -9.020 -10.080   0.588
   53    H    THR   7           HN       THR   7  -5.288  -9.696   2.290
   54    HA   THR   7           HA       THR   7  -3.340  -7.616   2.504
   55    HB   THR   7           HB       THR   7  -3.014 -10.527   3.308
   56    HG1  THR   7           HG1      THR   7  -3.844  -8.700   5.241
   57   HG21  THR   7          HG21      THR   7  -1.014  -9.109   3.419
   58   HG22  THR   7          HG22      THR   7  -1.547  -9.546   5.043
   59   HG23  THR   7          HG23      THR   7  -1.888  -7.938   4.398
   60    H    ASP   8           HN       ASP   8  -4.131 -10.238   0.477
   61    HA   ASP   8           HA       ASP   8  -1.543 -10.725  -0.633
   62    HB2  ASP   8           HB2      ASP   8  -3.375 -12.411  -0.657
   63    HB3  ASP   8           HB1      ASP   8  -4.243 -11.395  -1.803
   64    H    ASP   9           HN       ASP   9  -4.421  -8.938  -1.656
   65    HA   ASP   9           HA       ASP   9  -3.515  -7.902  -4.113
   66    HB2  ASP   9           HB2      ASP   9  -5.295  -6.581  -2.042
   67    HB3  ASP   9           HB1      ASP   9  -4.932  -5.841  -3.589
   68    H    LEU  10           HN       LEU  10  -3.229  -6.610  -0.885
   69    HA   LEU  10           HA       LEU  10  -1.740  -4.318  -1.473
   70    HB2  LEU  10           HB2      LEU  10  -2.950  -4.788   0.647
   71    HB3  LEU  10           HB1      LEU  10  -1.744  -5.988   1.042
   72    HG   LEU  10           HG       LEU  10  -0.032  -4.184   1.111
   73   HD11  LEU  10          HD11      LEU  10  -0.767  -1.870   1.198
   74   HD12  LEU  10          HD12      LEU  10  -2.415  -2.380   0.814
   75   HD13  LEU  10          HD13      LEU  10  -1.123  -2.600  -0.371
   76   HD21  LEU  10          HD21      LEU  10  -1.088  -4.956   3.155
   77   HD22  LEU  10          HD22      LEU  10  -2.427  -3.840   2.905
   78   HD23  LEU  10          HD23      LEU  10  -0.811  -3.215   3.236
   79    H    ARG  11           HN       ARG  11  -0.739  -7.548  -0.394
   80    HA   ARG  11           HA       ARG  11   1.983  -7.219  -0.205
   81    HB2  ARG  11           HB2      ARG  11   0.849  -9.243   0.545
   82    HB3  ARG  11           HB1      ARG  11   0.503  -9.690  -1.115
   83    HG2  ARG  11           HG2      ARG  11   2.899  -9.901  -1.561
   84    HG3  ARG  11           HG1      ARG  11   3.243  -9.456   0.108
   85    HD2  ARG  11           HD2      ARG  11   3.370 -11.863  -0.190
   86    HD3  ARG  11           HD1      ARG  11   2.038 -11.436   0.883
   87    HE   ARG  11           HE       ARG  11   0.541 -11.814  -1.041
   88   HH11  ARG  11          HH11      ARG  11   3.797 -13.142  -1.371
   89   HH12  ARG  11          HH12      ARG  11   3.288 -14.580  -2.132
   90   HH21  ARG  11          HH21      ARG  11  -0.136 -13.694  -2.225
   91   HH22  ARG  11          HH22      ARG  11   0.985 -14.869  -2.709
   92    H    ARG  12           HN       ARG  12   0.220  -8.376  -3.088
   93    HA   ARG  12           HA       ARG  12   2.596  -8.670  -4.576
   94    HB2  ARG  12           HB2      ARG  12  -0.253  -8.514  -5.507
   95    HB3  ARG  12           HB1      ARG  12   1.101  -8.788  -6.592
   96    HG2  ARG  12           HG2      ARG  12   0.190 -10.560  -4.337
   97    HG3  ARG  12           HG1      ARG  12   0.093 -10.888  -6.067
   98    HD2  ARG  12           HD2      ARG  12   2.679 -10.634  -6.038
   99    HD3  ARG  12           HD1      ARG  12   2.515 -10.804  -4.295
  100    HE   ARG  12           HE       ARG  12   1.117 -12.827  -5.650
  101   HH11  ARG  12          HH11      ARG  12   4.274 -12.057  -4.216
  102   HH12  ARG  12          HH12      ARG  12   5.023 -13.507  -4.668
  103   HH21  ARG  12          HH21      ARG  12   2.145 -14.846  -6.286
  104   HH22  ARG  12          HH22      ARG  12   3.771 -15.179  -5.905
  105    H    ALA  13           HN       ALA  13   0.377  -5.964  -4.315
  106    HA   ALA  13           HA       ALA  13   1.542  -4.461  -6.413
  107    HB1  ALA  13           HB1      ALA  13   0.085  -3.483  -3.953
  108    HB2  ALA  13           HB2      ALA  13  -0.671  -3.934  -5.480
  109    HB3  ALA  13           HB3      ALA  13   0.405  -2.537  -5.406
  110    H    LEU  14           HN       LEU  14   2.254  -4.840  -3.016
  111    HA   LEU  14           HA       LEU  14   4.259  -2.870  -2.872
  112    HB2  LEU  14           HB2      LEU  14   3.407  -5.135  -1.199
  113    HB3  LEU  14           HB1      LEU  14   5.083  -4.672  -1.029
  114    HG   LEU  14           HG       LEU  14   4.396  -2.403  -0.394
  115   HD11  LEU  14          HD11      LEU  14   2.073  -1.904   0.134
  116   HD12  LEU  14          HD12      LEU  14   1.582  -3.466  -0.523
  117   HD13  LEU  14          HD13      LEU  14   2.282  -2.244  -1.584
  118   HD21  LEU  14          HD21      LEU  14   3.116  -4.604   1.188
  119   HD22  LEU  14          HD22      LEU  14   3.536  -2.999   1.806
  120   HD23  LEU  14          HD23      LEU  14   4.800  -4.108   1.264
  121    H    VAL  15           HN       VAL  15   4.390  -6.330  -3.447
  122    HA   VAL  15           HA       VAL  15   7.119  -6.772  -3.577
  123    HB   VAL  15           HB       VAL  15   5.093  -8.018  -5.463
  124   HG11  VAL  15          HG11      VAL  15   6.639  -9.920  -5.519
  125   HG12  VAL  15          HG12      VAL  15   7.766  -9.024  -4.496
  126   HG13  VAL  15          HG13      VAL  15   7.399  -8.444  -6.120
  127   HG21  VAL  15          HG21      VAL  15   5.963  -8.912  -2.721
  128   HG22  VAL  15          HG22      VAL  15   4.910  -9.812  -3.809
  129   HG23  VAL  15          HG23      VAL  15   4.381  -8.264  -3.147
  130    H    GLU  16           HN       GLU  16   5.017  -5.945  -6.316
  131    HA   GLU  16           HA       GLU  16   7.048  -5.860  -8.226
  132    HB2  GLU  16           HB2      GLU  16   5.410  -4.770  -9.688
  133    HB3  GLU  16           HB1      GLU  16   4.726  -6.145  -8.831
  134    HG2  GLU  16           HG2      GLU  16   3.628  -4.654  -7.270
  135    HG3  GLU  16           HG1      GLU  16   4.310  -3.265  -8.116
  136    H    SER  17           HN       SER  17   5.958  -3.330  -6.031
  137    HA   SER  17           HA       SER  17   7.558  -1.452  -7.582
  138    HB2  SER  17           HB2      SER  17   6.319   0.313  -6.292
  139    HB3  SER  17           HB1      SER  17   5.336  -0.680  -7.367
  140    HG   SER  17           HG       SER  17   4.513  -1.773  -5.631
  141    H    ALA  18           HN       ALA  18   7.948  -3.348  -4.916
  142    HA   ALA  18           HA       ALA  18   9.479  -1.517  -3.277
  143    HB1  ALA  18           HB1      ALA  18   9.241  -4.519  -3.148
  144    HB2  ALA  18           HB2      ALA  18   8.229  -3.367  -2.270
  145    HB3  ALA  18           HB3      ALA  18   9.954  -3.485  -1.910
  146    H    GLY  19           HN       GLY  19  10.153  -2.379  -6.118
  147    HA2  GLY  19           HA2      GLY  19  12.874  -2.069  -6.097
  148    HA3  GLY  19           HA1      GLY  19  12.589  -3.809  -6.040
  149    H    GLU  20           HN       GLU  20  13.405  -4.137  -8.058
  150    HA   GLU  20           HA       GLU  20  11.831  -2.990 -10.277
  151    HB2  GLU  20           HB2      GLU  20  14.249  -2.383 -10.227
  152    HB3  GLU  20           HB1      GLU  20  14.636  -4.094 -10.388
  153    HG2  GLU  20           HG2      GLU  20  14.808  -3.104 -12.535
  154    HG3  GLU  20           HG1      GLU  20  13.357  -4.103 -12.521
  155    H    THR  21           HN       THR  21  10.450  -4.403 -11.087
  156    HA   THR  21           HA       THR  21   9.423  -6.289 -11.756
  157    HB   THR  21           HB       THR  21  12.209  -7.373 -12.282
  158    HG1  THR  21           HG1      THR  21  12.378  -5.899 -13.791
  159   HG21  THR  21          HG21      THR  21  10.370  -8.986 -12.583
  160   HG22  THR  21          HG22      THR  21  11.101  -8.566 -14.133
  161   HG23  THR  21          HG23      THR  21   9.555  -7.856 -13.666
  162    H    ASP  22           HN       ASP  22   8.778  -6.573  -9.654
  163    HA   ASP  22           HA       ASP  22   8.420  -7.558  -7.647
  164    HB2  ASP  22           HB2      ASP  22   9.869  -9.997  -8.779
  165    HB3  ASP  22           HB1      ASP  22   8.874  -9.964  -7.333
  166    H    GLY  23           HN       GLY  23   9.609  -6.140  -6.567
  167    HA2  GLY  23           HA2      GLY  23  12.423  -6.253  -6.292
  168    HA3  GLY  23           HA1      GLY  23  11.311  -5.303  -5.308
  169    H    THR  24           HN       THR  24   9.843  -6.944  -3.936
  170    HA   THR  24           HA       THR  24  11.208  -9.226  -2.980
  171    HB   THR  24           HB       THR  24  12.540  -7.467  -1.845
  172    HG1  THR  24           HG1      THR  24  12.542  -8.448   0.061
  173   HG21  THR  24          HG21      THR  24  10.875  -5.667  -1.709
  174   HG22  THR  24          HG22      THR  24  11.541  -6.015  -0.115
  175   HG23  THR  24          HG23      THR  24   9.937  -6.610  -0.550
  176    H    ASP  25           HN       ASP  25   9.664 -10.600  -2.401
  177    HA   ASP  25           HA       ASP  25   6.936  -9.670  -2.076
  178    HB2  ASP  25           HB2      ASP  25   7.255 -11.681  -3.383
  179    HB3  ASP  25           HB1      ASP  25   8.155 -12.435  -2.076
  180    H    LEU  26           HN       LEU  26   5.738  -9.808  -0.254
  181    HA   LEU  26           HA       LEU  26   7.364 -10.128   2.134
  182    HB2  LEU  26           HB2      LEU  26   4.947  -8.341   1.826
  183    HB3  LEU  26           HB1      LEU  26   5.894  -8.540   3.279
  184    HG   LEU  26           HG       LEU  26   6.572  -6.506   2.471
  185   HD11  LEU  26          HD11      LEU  26   8.866  -6.721   1.687
  186   HD12  LEU  26          HD12      LEU  26   8.581  -8.436   1.378
  187   HD13  LEU  26          HD13      LEU  26   8.486  -7.808   3.023
  188   HD21  LEU  26          HD21      LEU  26   6.699  -7.639  -0.325
  189   HD22  LEU  26          HD22      LEU  26   7.127  -5.988   0.128
  190   HD23  LEU  26          HD23      LEU  26   5.464  -6.550   0.307
  191    H    SER  27           HN       SER  27   6.812 -12.325   1.871
  192    HA   SER  27           HA       SER  27   4.159 -13.200   2.418
  193    HB2  SER  27           HB2      SER  27   5.314 -15.420   2.876
  194    HB3  SER  27           HB1      SER  27   5.626 -14.725   1.285
  195    HG   SER  27           HG       SER  27   7.397 -13.865   3.159
  196    H    GLY  28           HN       GLY  28   3.135 -13.324   4.298
  197    HA2  GLY  28           HA2      GLY  28   3.220 -13.930   6.674
  198    HA3  GLY  28           HA1      GLY  28   4.700 -12.975   6.775
  199    H    ASP  29           HN       ASP  29   3.761 -11.603   8.400
  200    HA   ASP  29           HA       ASP  29   1.632  -9.900   7.330
  201    HB2  ASP  29           HB2      ASP  29   1.248 -10.948   9.598
  202    HB3  ASP  29           HB1      ASP  29   2.582  -9.962  10.195
  203    H    PHE  30           HN       PHE  30   2.505  -8.380   6.257
  204    HA   PHE  30           HA       PHE  30   4.940  -7.138   7.207
  205    HB2  PHE  30           HB2      PHE  30   4.894  -5.967   4.963
  206    HB3  PHE  30           HB1      PHE  30   5.046  -7.716   4.904
  207    HD1  PHE  30           HD2      PHE  30   3.159  -9.087   4.162
  208    HD2  PHE  30           HD1      PHE  30   2.977  -4.848   4.104
  209    HE1  PHE  30           HE2      PHE  30   1.232  -9.189   2.660
  210    HE2  PHE  30           HE1      PHE  30   1.043  -4.942   2.600
  211    HZ   PHE  30           HZ       PHE  30   0.165  -7.146   1.881
  212    H    LEU  31           HN       LEU  31   1.795  -6.716   7.869
  213    HA   LEU  31           HA       LEU  31   1.653  -3.849   7.626
  214    HB2  LEU  31           HB2      LEU  31  -0.166  -5.911   8.859
  215    HB3  LEU  31           HB1      LEU  31  -0.427  -4.213   9.164
  216    HG   LEU  31           HG       LEU  31  -0.699  -3.881   6.697
  217   HD11  LEU  31          HD11      LEU  31  -0.730  -6.881   6.597
  218   HD12  LEU  31          HD12      LEU  31   0.483  -5.807   5.881
  219   HD13  LEU  31          HD13      LEU  31  -1.184  -5.772   5.298
  220   HD21  LEU  31          HD21      LEU  31  -2.956  -4.820   6.614
  221   HD22  LEU  31          HD22      LEU  31  -2.609  -4.032   8.154
  222   HD23  LEU  31          HD23      LEU  31  -2.596  -5.791   8.042
  223    H    ASP  32           HN       ASP  32   2.462  -6.229   9.963
  224    HA   ASP  32           HA       ASP  32   2.750  -4.547  12.218
  225    HB2  ASP  32           HB2      ASP  32   2.622  -6.965  12.455
  226    HB3  ASP  32           HB1      ASP  32   4.087  -7.167  11.508
  227    H    LEU  33           HN       LEU  33   4.629  -4.971   9.421
  228    HA   LEU  33           HA       LEU  33   7.032  -3.795  10.586
  229    HB2  LEU  33           HB2      LEU  33   6.450  -4.806   7.806
  230    HB3  LEU  33           HB1      LEU  33   7.972  -4.108   8.309
  231    HG   LEU  33           HG       LEU  33   6.786  -6.673   9.362
  232   HD11  LEU  33          HD11      LEU  33   9.099  -6.148   7.502
  233   HD12  LEU  33          HD12      LEU  33   7.539  -6.838   7.051
  234   HD13  LEU  33          HD13      LEU  33   8.614  -7.725   8.129
  235   HD21  LEU  33          HD21      LEU  33   9.460  -5.365   9.884
  236   HD22  LEU  33          HD22      LEU  33   8.960  -6.957  10.456
  237   HD23  LEU  33          HD23      LEU  33   8.136  -5.514  11.042
  238    H    ARG  34           HN       ARG  34   8.038  -2.047   9.262
  239    HA   ARG  34           HA       ARG  34   6.029  -0.073   8.447
  240    HB2  ARG  34           HB2      ARG  34   8.988   0.199   8.994
  241    HB3  ARG  34           HB1      ARG  34   7.864   1.510   8.688
  242    HG2  ARG  34           HG2      ARG  34   6.762   1.115  10.786
  243    HG3  ARG  34           HG1      ARG  34   7.749  -0.326  11.069
  244    HD2  ARG  34           HD2      ARG  34   9.750   1.016  11.123
  245    HD3  ARG  34           HD1      ARG  34   8.831   2.457  10.717
  246    HE   ARG  34           HE       ARG  34   7.992   1.136  13.119
  247   HH11  ARG  34          HH11      ARG  34  10.250   3.502  11.724
  248   HH12  ARG  34          HH12      ARG  34  10.389   4.447  13.132
  249   HH21  ARG  34          HH21      ARG  34   8.253   2.353  15.112
  250   HH22  ARG  34          HH22      ARG  34   9.179   3.790  15.126
  251    H    PHE  35           HN       PHE  35   6.795   1.240   6.496
  252    HA   PHE  35           HA       PHE  35   7.535  -0.517   4.399
  253    HB2  PHE  35           HB2      PHE  35   7.161   2.463   4.492
  254    HB3  PHE  35           HB1      PHE  35   7.785   1.667   3.051
  255    HD1  PHE  35           HD2      PHE  35   6.329  -0.352   2.205
  256    HD2  PHE  35           HD1      PHE  35   4.907   2.766   4.708
  257    HE1  PHE  35           HE2      PHE  35   4.021  -0.859   1.529
  258    HE2  PHE  35           HE1      PHE  35   2.601   2.265   4.044
  259    HZ   PHE  35           HZ       PHE  35   2.188   0.487   2.311
  260    H    GLU  36           HN       GLU  36   9.317   1.695   6.383
  261    HA   GLU  36           HA       GLU  36  11.730   1.673   4.979
  262    HB2  GLU  36           HB2      GLU  36  12.817   2.328   7.067
  263    HB3  GLU  36           HB1      GLU  36  11.316   3.208   6.848
  264    HG2  GLU  36           HG2      GLU  36  10.208   1.749   8.451
  265    HG3  GLU  36           HG1      GLU  36  11.692   0.818   8.641
  266    H    ASP  37           HN       ASP  37  10.239  -0.833   6.882
  267    HA   ASP  37           HA       ASP  37  12.587  -2.371   7.402
  268    HB2  ASP  37           HB2      ASP  37   9.651  -3.016   7.489
  269    HB3  ASP  37           HB1      ASP  37  10.898  -4.205   7.815
  270    H    ILE  38           HN       ILE  38  10.441  -1.975   4.773
  271    HA   ILE  38           HA       ILE  38  11.557  -4.389   3.569
  272    HB   ILE  38           HB       ILE  38   9.522  -4.534   2.154
  273   HG12  ILE  38          HG12      ILE  38   8.513  -2.285   3.929
  274   HG13  ILE  38          HG11      ILE  38   8.865  -2.153   2.214
  275   HG21  ILE  38          HG21      ILE  38   9.690  -5.833   4.209
  276   HG22  ILE  38          HG22      ILE  38   8.021  -5.318   3.943
  277   HG23  ILE  38          HG23      ILE  38   9.020  -4.487   5.134
  278   HD11  ILE  38          HD11      ILE  38   6.716  -3.863   3.446
  279   HD12  ILE  38          HD12      ILE  38   7.063  -3.728   1.721
  280   HD13  ILE  38          HD13      ILE  38   6.480  -2.324   2.615
  281    H    GLY  39           HN       GLY  39  12.580  -1.685   3.644
  282    HA2  GLY  39           HA2      GLY  39  13.731  -0.230   2.320
  283    HA3  GLY  39           HA1      GLY  39  13.802  -1.552   1.169
  284    H    TYR  40           HN       TYR  40  11.004   0.295   2.290
  285    HA   TYR  40           HA       TYR  40  10.389   0.911  -0.494
  286    HB2  TYR  40           HB2      TYR  40   8.889   0.345   1.854
  287    HB3  TYR  40           HB1      TYR  40   8.486   1.959   1.294
  288    HD1  TYR  40           HD2      TYR  40   7.448   2.280  -0.872
  289    HD2  TYR  40           HD1      TYR  40   8.287  -1.601   0.623
  290    HE1  TYR  40           HE2      TYR  40   5.985   1.314  -2.577
  291    HE2  TYR  40           HE1      TYR  40   6.828  -2.578  -1.089
  292    HH   TYR  40           HH       TYR  40   4.897  -1.836  -2.531
  293    H    ASP  41           HN       ASP  41  10.397   2.955  -1.220
  294    HA   ASP  41           HA       ASP  41  11.013   5.064   0.710
  295    HB2  ASP  41           HB2      ASP  41  12.026   6.346  -1.093
  296    HB3  ASP  41           HB1      ASP  41  12.768   4.756  -1.048
  297    H    SER  42           HN       SER  42   9.907   7.116   0.317
  298    HA   SER  42           HA       SER  42   7.186   6.645   0.035
  299    HB2  SER  42           HB2      SER  42   7.132   9.232   0.091
  300    HB3  SER  42           HB1      SER  42   7.699   8.336   1.504
  301    H    LEU  43           HN       LEU  43   9.485   7.715  -2.376
  302    HA   LEU  43           HA       LEU  43   7.516   8.735  -4.170
  303    HB2  LEU  43           HB2      LEU  43  10.014   9.240  -4.271
  304    HB3  LEU  43           HB1      LEU  43  10.258   7.625  -4.872
  305    HG   LEU  43           HG       LEU  43   8.644   9.727  -6.351
  306   HD11  LEU  43          HD11      LEU  43  10.619  10.014  -7.763
  307   HD12  LEU  43          HD12      LEU  43  11.526   8.931  -6.708
  308   HD13  LEU  43          HD13      LEU  43  10.936  10.474  -6.090
  309   HD21  LEU  43          HD21      LEU  43   9.009   8.286  -8.310
  310   HD22  LEU  43          HD22      LEU  43   8.150   7.419  -7.040
  311   HD23  LEU  43          HD23      LEU  43   9.870   7.124  -7.300
  312    H    ALA  44           HN       ALA  44   9.237   5.642  -3.914
  313    HA   ALA  44           HA       ALA  44   7.881   4.263  -5.953
  314    HB1  ALA  44           HB1      ALA  44   8.926   3.068  -3.368
  315    HB2  ALA  44           HB2      ALA  44   9.895   3.355  -4.806
  316    HB3  ALA  44           HB3      ALA  44   8.595   2.178  -4.851
  317    H    LEU  45           HN       LEU  45   7.134   4.726  -2.595
  318    HA   LEU  45           HA       LEU  45   4.952   3.031  -2.305
  319    HB2  LEU  45           HB2      LEU  45   6.204   3.946  -0.471
  320    HB3  LEU  45           HB1      LEU  45   5.689   5.565  -0.883
  321    HG   LEU  45           HG       LEU  45   3.423   5.060  -0.188
  322   HD11  LEU  45          HD11      LEU  45   2.874   2.899   0.806
  323   HD12  LEU  45          HD12      LEU  45   4.490   2.305   0.427
  324   HD13  LEU  45          HD13      LEU  45   3.369   2.707  -0.875
  325   HD21  LEU  45          HD21      LEU  45   3.865   4.701   2.191
  326   HD22  LEU  45          HD22      LEU  45   5.020   5.826   1.474
  327   HD23  LEU  45          HD23      LEU  45   5.497   4.159   1.802
  328    H    MET  46           HN       MET  46   5.015   6.445  -3.306
  329    HA   MET  46           HA       MET  46   2.189   6.773  -3.334
  330    HB2  MET  46           HB2      MET  46   4.318   8.245  -4.887
  331    HB3  MET  46           HB1      MET  46   2.635   8.742  -4.781
  332    HG2  MET  46           HG2      MET  46   2.853   8.927  -2.400
  333    HG3  MET  46           HG1      MET  46   4.555   8.497  -2.498
  334    HE1  MET  46           HE1      MET  46   4.806  12.277  -1.634
  335    HE2  MET  46           HE2      MET  46   5.324  10.641  -1.226
  336    HE3  MET  46           HE3      MET  46   3.635  11.108  -1.025
  337    H    GLU  47           HN       GLU  47   4.495   5.603  -5.563
  338    HA   GLU  47           HA       GLU  47   2.835   5.563  -7.864
  339    HB2  GLU  47           HB2      GLU  47   5.351   5.686  -7.558
  340    HB3  GLU  47           HB1      GLU  47   5.327   3.963  -7.278
  341    HG2  GLU  47           HG2      GLU  47   4.411   5.292  -9.835
  342    HG3  GLU  47           HG1      GLU  47   6.001   4.590  -9.585
  343    H    THR  48           HN       THR  48   3.771   3.229  -5.329
  344    HA   THR  48           HA       THR  48   2.447   0.932  -6.148
  345    HB   THR  48           HB       THR  48   2.660   2.020  -3.332
  346    HG1  THR  48           HG1      THR  48   4.532   0.390  -4.676
  347   HG21  THR  48          HG21      THR  48   1.287  -0.004  -3.552
  348   HG22  THR  48          HG22      THR  48   2.794  -0.357  -2.704
  349   HG23  THR  48          HG23      THR  48   2.606  -0.813  -4.397
  350    H    ALA  49           HN       ALA  49   1.380   3.441  -3.885
  351    HA   ALA  49           HA       ALA  49  -1.197   2.595  -3.408
  352    HB1  ALA  49           HB1      ALA  49  -1.643   4.846  -2.602
  353    HB2  ALA  49           HB2      ALA  49  -0.200   5.441  -3.427
  354    HB3  ALA  49           HB3      ALA  49  -0.045   4.306  -2.087
  355    H    ALA  50           HN       ALA  50  -0.055   4.852  -5.889
  356    HA   ALA  50           HA       ALA  50  -2.435   5.726  -6.942
  357    HB1  ALA  50           HB1      ALA  50   0.074   5.144  -8.499
  358    HB2  ALA  50           HB2      ALA  50  -0.229   6.604  -7.558
  359    HB3  ALA  50           HB3      ALA  50  -1.224   6.242  -8.969
  360    H    ARG  51           HN       ARG  51  -0.803   2.669  -7.668
  361    HA   ARG  51           HA       ARG  51  -2.525   2.080  -9.864
  362    HB2  ARG  51           HB2      ARG  51  -0.230   1.052  -9.583
  363    HB3  ARG  51           HB1      ARG  51  -0.909   0.046  -8.304
  364    HG2  ARG  51           HG2      ARG  51  -2.466  -0.956  -9.886
  365    HG3  ARG  51           HG1      ARG  51  -1.865   0.092 -11.162
  366    HD2  ARG  51           HD2      ARG  51   0.374  -0.979 -10.907
  367    HD3  ARG  51           HD1      ARG  51  -0.339  -2.096  -9.739
  368    HE   ARG  51           HE       ARG  51  -1.684  -1.944 -12.284
  369   HH11  ARG  51          HH11      ARG  51   0.967  -3.678 -10.565
  370   HH12  ARG  51          HH12      ARG  51   0.763  -5.083 -11.456
  371   HH21  ARG  51          HH21      ARG  51  -1.877  -3.969 -13.503
  372   HH22  ARG  51          HH22      ARG  51  -0.829  -5.269 -13.131
  373    H    LEU  52           HN       LEU  52  -2.383   0.870  -6.526
  374    HA   LEU  52           HA       LEU  52  -4.711  -0.758  -6.635
  375    HB2  LEU  52           HB2      LEU  52  -3.486   0.691  -4.289
  376    HB3  LEU  52           HB1      LEU  52  -4.778  -0.482  -4.157
  377    HG   LEU  52           HG       LEU  52  -2.010  -1.048  -5.181
  378   HD11  LEU  52          HD11      LEU  52  -1.720  -2.281  -3.089
  379   HD12  LEU  52          HD12      LEU  52  -3.311  -1.739  -2.554
  380   HD13  LEU  52          HD13      LEU  52  -2.017  -0.567  -2.797
  381   HD21  LEU  52          HD21      LEU  52  -3.685  -2.505  -6.207
  382   HD22  LEU  52          HD22      LEU  52  -4.339  -2.899  -4.625
  383   HD23  LEU  52          HD23      LEU  52  -2.707  -3.414  -5.054
  384    H    GLU  53           HN       GLU  53  -4.216   2.604  -5.802
  385    HA   GLU  53           HA       GLU  53  -6.552   3.433  -4.832
  386    HB2  GLU  53           HB2      GLU  53  -4.265   4.557  -5.467
  387    HB3  GLU  53           HB1      GLU  53  -5.196   5.004  -6.896
  388    HG2  GLU  53           HG2      GLU  53  -6.926   5.821  -5.235
  389    HG3  GLU  53           HG1      GLU  53  -5.592   5.608  -4.107
  390    H    SER  54           HN       SER  54  -5.527   3.544  -8.197
  391    HA   SER  54           HA       SER  54  -8.051   4.457  -9.162
  392    HB2  SER  54           HB2      SER  54  -5.688   3.447 -10.733
  393    HB3  SER  54           HB1      SER  54  -6.951   4.555 -11.280
  394    HG   SER  54           HG       SER  54  -4.855   5.006  -9.442
  395    H    ARG  55           HN       ARG  55  -6.510   1.388  -8.777
  396    HA   ARG  55           HA       ARG  55  -7.951  -0.062 -10.743
  397    HB2  ARG  55           HB2      ARG  55  -5.752  -0.602  -9.355
  398    HB3  ARG  55           HB1      ARG  55  -6.891  -1.354  -8.260
  399    HG2  ARG  55           HG2      ARG  55  -6.570  -2.080 -11.170
  400    HG3  ARG  55           HG1      ARG  55  -5.790  -2.917  -9.837
  401    HD2  ARG  55           HD2      ARG  55  -8.053  -3.472  -8.955
  402    HD3  ARG  55           HD1      ARG  55  -8.747  -2.728 -10.400
  403    HE   ARG  55           HE       ARG  55  -7.008  -4.468 -11.441
  404   HH11  ARG  55          HH11      ARG  55  -9.721  -4.876  -9.169
  405   HH12  ARG  55          HH12      ARG  55  -9.840  -6.560  -9.404
  406   HH21  ARG  55          HH21      ARG  55  -7.264  -6.796 -11.842
  407   HH22  ARG  55          HH22      ARG  55  -8.454  -7.649 -10.986
  408    H    TYR  56           HN       TYR  56  -8.445   0.520  -7.279
  409    HA   TYR  56           HA       TYR  56 -10.938  -0.966  -7.506
  410    HB2  TYR  56           HB2      TYR  56  -9.224  -0.398  -5.116
  411    HB3  TYR  56           HB1      TYR  56 -10.892  -0.936  -4.944
  412    HD1  TYR  56           HD2      TYR  56  -7.599  -1.845  -6.339
  413    HD2  TYR  56           HD1      TYR  56 -11.472  -3.233  -5.264
  414    HE1  TYR  56           HE2      TYR  56  -6.839  -4.156  -6.635
  415    HE2  TYR  56           HE1      TYR  56 -10.726  -5.563  -5.551
  416    HH   TYR  56           HH       TYR  56  -8.865  -6.768  -6.890
  417    H    GLY  57           HN       GLY  57  -9.852   2.273  -6.968
  418    HA2  GLY  57           HA2      GLY  57 -11.435   3.982  -7.512
  419    HA3  GLY  57           HA1      GLY  57 -12.698   2.975  -6.832
  420    H    VAL  58           HN       VAL  58  -9.596   4.183  -5.684
  421    HA   VAL  58           HA       VAL  58 -11.027   5.552  -3.560
  422    HB   VAL  58           HB       VAL  58  -9.352   4.995  -1.858
  423   HG11  VAL  58          HG11      VAL  58  -9.790   2.628  -1.543
  424   HG12  VAL  58          HG12      VAL  58 -10.344   2.525  -3.214
  425   HG13  VAL  58          HG13      VAL  58 -11.245   3.503  -2.046
  426   HG21  VAL  58          HG21      VAL  58  -8.111   3.197  -3.900
  427   HG22  VAL  58          HG22      VAL  58  -7.607   3.367  -2.214
  428   HG23  VAL  58          HG23      VAL  58  -7.419   4.722  -3.335
  429    H    SER  59           HN       SER  59  -9.326   7.076  -2.403
  430    HA   SER  59           HA       SER  59  -7.453   8.101  -4.365
  431    HB2  SER  59           HB2      SER  59  -8.266  10.447  -3.762
  432    HB3  SER  59           HB1      SER  59  -9.351   9.492  -4.767
  433    HG   SER  59           HG       SER  59 -10.129   8.920  -2.354
  434    H    ILE  60           HN       ILE  60  -5.479   8.201  -3.398
  435    HA   ILE  60           HA       ILE  60  -5.422   8.641  -0.500
  436    HB   ILE  60           HB       ILE  60  -3.341   7.253  -2.233
  437   HG12  ILE  60          HG12      ILE  60  -5.335   5.840  -2.086
  438   HG13  ILE  60          HG11      ILE  60  -4.031   5.141  -1.142
  439   HG21  ILE  60          HG21      ILE  60  -2.337   8.315  -0.293
  440   HG22  ILE  60          HG22      ILE  60  -2.292   6.567  -0.100
  441   HG23  ILE  60          HG23      ILE  60  -3.490   7.515   0.771
  442   HD11  ILE  60          HD11      ILE  60  -6.380   6.688  -0.054
  443   HD12  ILE  60          HD12      ILE  60  -5.076   5.988   0.907
  444   HD13  ILE  60          HD13      ILE  60  -6.166   4.937   0.001
  445    HA   PRO  61           HA       PRO  61  -3.668  12.573  -1.937
  446    HB2  PRO  61           HB2      PRO  61  -3.276  12.862   0.991
  447    HB3  PRO  61           HB1      PRO  61  -4.073  13.961  -0.142
  448    HG2  PRO  61           HG2      PRO  61  -5.489  12.513   1.582
  449    HG3  PRO  61           HG1      PRO  61  -6.072  12.792  -0.069
  450    HD2  PRO  61           HD2      PRO  61  -4.809  10.357   1.114
  451    HD3  PRO  61           HD1      PRO  61  -6.146  10.484  -0.048
  452    H    ASP  62           HN       ASP  62  -1.590  13.172  -2.225
  453    HA   ASP  62           HA       ASP  62   0.447  11.296  -1.853
  454    HB2  ASP  62           HB2      ASP  62   2.018  12.918  -2.738
  455    HB3  ASP  62           HB1      ASP  62   0.519  12.988  -3.647
  456    H    ASP  63           HN       ASP  63  -0.431  14.029   0.157
  457    HA   ASP  63           HA       ASP  63   1.815  13.943   1.896
  458    HB2  ASP  63           HB2      ASP  63  -1.019  14.874   2.333
  459    HB3  ASP  63           HB1      ASP  63   0.173  14.902   3.624
  460    H    VAL  64           HN       VAL  64  -1.288  12.378   1.972
  461    HA   VAL  64           HA       VAL  64  -0.874  11.009   4.424
  462    HB   VAL  64           HB       VAL  64  -2.781  10.373   2.158
  463   HG11  VAL  64          HG11      VAL  64  -2.489   8.476   3.679
  464   HG12  VAL  64          HG12      VAL  64  -4.092   9.183   3.875
  465   HG13  VAL  64          HG13      VAL  64  -2.827   9.519   5.059
  466   HG21  VAL  64          HG21      VAL  64  -3.112  12.622   3.022
  467   HG22  VAL  64          HG22      VAL  64  -3.201  11.993   4.669
  468   HG23  VAL  64          HG23      VAL  64  -4.453  11.577   3.497
  469    H    ALA  65           HN       ALA  65  -0.447  10.164   1.021
  470    HA   ALA  65           HA       ALA  65   0.342   7.487   1.369
  471    HB1  ALA  65           HB1      ALA  65  -0.298   8.418  -0.815
  472    HB2  ALA  65           HB2      ALA  65   1.298   7.660  -0.877
  473    HB3  ALA  65           HB3      ALA  65   1.160   9.413  -0.809
  474    H    GLY  66           HN       GLY  66   2.087  10.488   1.671
  475    HA2  GLY  66           HA2      GLY  66   4.646   9.199   1.864
  476    HA3  GLY  66           HA1      GLY  66   4.297  10.890   2.205
  477    H    ARG  67           HN       ARG  67   2.045   9.931   3.986
  478    HA   ARG  67           HA       ARG  67   3.752   9.644   6.334
  479    HB2  ARG  67           HB2      ARG  67   2.173  11.601   6.154
  480    HB3  ARG  67           HB1      ARG  67   0.838  10.469   6.267
  481    HG2  ARG  67           HG2      ARG  67   1.305  11.575   8.412
  482    HG3  ARG  67           HG1      ARG  67   1.536   9.827   8.512
  483    HD2  ARG  67           HD2      ARG  67   3.947  10.128   8.243
  484    HD3  ARG  67           HD1      ARG  67   3.720  11.866   8.107
  485    HE   ARG  67           HE       ARG  67   2.665  11.507  10.457
  486   HH11  ARG  67          HH11      ARG  67   5.479   9.736   9.226
  487   HH12  ARG  67          HH12      ARG  67   6.353   9.763  10.680
  488   HH21  ARG  67          HH21      ARG  67   3.875  11.587  12.525
  489   HH22  ARG  67          HH22      ARG  67   5.411  10.849  12.611
  490    H    VAL  68           HN       VAL  68   2.186   7.554   4.404
  491    HA   VAL  68           HA       VAL  68   1.167   5.952   6.561
  492    HB   VAL  68           HB       VAL  68   0.769   4.128   4.825
  493   HG11  VAL  68          HG11      VAL  68  -0.987   5.629   5.493
  494   HG12  VAL  68          HG12      VAL  68  -1.117   5.262   3.772
  495   HG13  VAL  68          HG13      VAL  68  -0.461   6.812   4.298
  496   HG21  VAL  68          HG21      VAL  68   0.789   4.784   2.447
  497   HG22  VAL  68          HG22      VAL  68   2.414   4.753   3.134
  498   HG23  VAL  68          HG23      VAL  68   1.586   6.293   2.879
  499    H    ASP  69           HN       ASP  69   2.789   5.781   7.841
  500    HA   ASP  69           HA       ASP  69   5.399   4.997   7.323
  501    HB2  ASP  69           HB2      ASP  69   3.735   4.707   9.813
  502    HB3  ASP  69           HB1      ASP  69   5.438   4.278   9.756
  503    H    THR  70           HN       THR  70   2.629   2.947   8.091
  504    HA   THR  70           HA       THR  70   4.311   0.606   7.540
  505    HB   THR  70           HB       THR  70   2.695  -0.655   8.932
  506    HG1  THR  70           HG1      THR  70   1.391   1.091  10.302
  507   HG21  THR  70          HG21      THR  70   3.845   1.761  10.352
  508   HG22  THR  70          HG22      THR  70   4.709   0.262  10.016
  509   HG23  THR  70          HG23      THR  70   3.338   0.261  11.126
  510    HA   PRO  71           HA       PRO  71   1.494  -0.357   4.156
  511    HB2  PRO  71           HB2      PRO  71   1.554  -3.149   5.190
  512    HB3  PRO  71           HB1      PRO  71   1.923  -2.549   3.566
  513    HG2  PRO  71           HG2      PRO  71   3.887  -3.315   5.163
  514    HG3  PRO  71           HG1      PRO  71   4.061  -1.847   4.176
  515    HD2  PRO  71           HD2      PRO  71   3.420  -2.106   7.089
  516    HD3  PRO  71           HD1      PRO  71   4.530  -0.980   6.272
  517    H    ARG  72           HN       ARG  72   0.885  -1.206   7.434
  518    HA   ARG  72           HA       ARG  72  -1.735  -2.179   7.208
  519    HB2  ARG  72           HB2      ARG  72  -0.295  -2.402   9.256
  520    HB3  ARG  72           HB1      ARG  72  -0.557  -0.689   9.577
  521    HG2  ARG  72           HG2      ARG  72  -2.908  -1.088   9.886
  522    HG3  ARG  72           HG1      ARG  72  -2.713  -2.775   9.408
  523    HD2  ARG  72           HD2      ARG  72  -1.152  -3.044  11.354
  524    HD3  ARG  72           HD1      ARG  72  -1.617  -1.422  11.871
  525    HE   ARG  72           HE       ARG  72  -3.939  -2.771  11.442
  526   HH11  ARG  72          HH11      ARG  72  -1.270  -2.934  13.801
  527   HH12  ARG  72          HH12      ARG  72  -2.114  -3.945  14.882
  528   HH21  ARG  72          HH21      ARG  72  -5.071  -4.138  12.966
  529   HH22  ARG  72          HH22      ARG  72  -4.321  -4.625  14.420
  530    H    GLU  73           HN       GLU  73  -0.356   1.037   7.657
  531    HA   GLU  73           HA       GLU  73  -2.686   2.541   7.997
  532    HB2  GLU  73           HB2      GLU  73  -0.072   3.311   6.691
  533    HB3  GLU  73           HB1      GLU  73  -1.318   4.445   7.181
  534    HG2  GLU  73           HG2      GLU  73   0.154   2.605   9.048
  535    HG3  GLU  73           HG1      GLU  73   0.576   4.291   8.750
  536    H    LEU  74           HN       LEU  74  -0.923   1.660   5.063
  537    HA   LEU  74           HA       LEU  74  -2.470   3.140   3.200
  538    HB2  LEU  74           HB2      LEU  74  -0.149   1.850   2.955
  539    HB3  LEU  74           HB1      LEU  74  -1.203   0.529   2.489
  540    HG   LEU  74           HG       LEU  74  -1.108   3.167   1.023
  541   HD11  LEU  74          HD11      LEU  74   0.249   0.562   0.372
  542   HD12  LEU  74          HD12      LEU  74   1.039   2.056   0.873
  543   HD13  LEU  74          HD13      LEU  74   0.190   1.982  -0.671
  544   HD21  LEU  74          HD21      LEU  74  -3.197   1.915   0.707
  545   HD22  LEU  74          HD22      LEU  74  -2.270   0.487   0.245
  546   HD23  LEU  74          HD23      LEU  74  -2.231   1.929  -0.769
  547    H    LEU  75           HN       LEU  75  -2.691  -0.230   4.305
  548    HA   LEU  75           HA       LEU  75  -4.914  -0.848   2.674
  549    HB2  LEU  75           HB2      LEU  75  -3.455  -2.582   3.536
  550    HB3  LEU  75           HB1      LEU  75  -3.901  -2.186   5.180
  551    HG   LEU  75           HG       LEU  75  -6.171  -3.006   4.798
  552   HD11  LEU  75          HD11      LEU  75  -5.248  -3.713   2.004
  553   HD12  LEU  75          HD12      LEU  75  -6.389  -2.433   2.429
  554   HD13  LEU  75          HD13      LEU  75  -6.812  -4.106   2.726
  555   HD21  LEU  75          HD21      LEU  75  -4.478  -4.581   5.563
  556   HD22  LEU  75          HD22      LEU  75  -4.055  -4.953   3.894
  557   HD23  LEU  75          HD23      LEU  75  -5.648  -5.380   4.513
  558    H    ASP  76           HN       ASP  76  -4.596   0.421   5.921
  559    HA   ASP  76           HA       ASP  76  -7.311   0.149   6.660
  560    HB2  ASP  76           HB2      ASP  76  -5.613   0.480   8.351
  561    HB3  ASP  76           HB1      ASP  76  -5.175   2.041   7.660
  562    H    LEU  77           HN       LEU  77  -5.494   2.677   5.089
  563    HA   LEU  77           HA       LEU  77  -7.473   4.654   4.889
  564    HB2  LEU  77           HB2      LEU  77  -5.301   3.859   2.987
  565    HB3  LEU  77           HB1      LEU  77  -6.280   5.283   2.761
  566    HG   LEU  77           HG       LEU  77  -4.365   4.753   5.026
  567   HD11  LEU  77          HD11      LEU  77  -3.293   5.194   2.894
  568   HD12  LEU  77          HD12      LEU  77  -3.084   6.558   3.990
  569   HD13  LEU  77          HD13      LEU  77  -4.271   6.645   2.688
  570   HD21  LEU  77          HD21      LEU  77  -6.283   6.091   5.776
  571   HD22  LEU  77          HD22      LEU  77  -6.040   7.201   4.429
  572   HD23  LEU  77          HD23      LEU  77  -4.817   7.067   5.694
  573    H    ILE  78           HN       ILE  78  -6.584   2.088   2.638
  574    HA   ILE  78           HA       ILE  78  -8.723   2.652   0.900
  575    HB   ILE  78           HB       ILE  78  -6.879   0.261   1.053
  576   HG12  ILE  78          HG12      ILE  78  -6.997   2.700  -0.732
  577   HG13  ILE  78          HG11      ILE  78  -5.759   2.302   0.446
  578   HG21  ILE  78          HG21      ILE  78  -8.972  -0.454   0.014
  579   HG22  ILE  78          HG22      ILE  78  -7.680  -0.367  -1.183
  580   HG23  ILE  78          HG23      ILE  78  -8.896   0.907  -1.105
  581   HD11  ILE  78          HD11      ILE  78  -5.017   1.935  -1.869
  582   HD12  ILE  78          HD12      ILE  78  -6.329   0.770  -2.075
  583   HD13  ILE  78          HD13      ILE  78  -5.029   0.436  -0.925
  584    H    ASN  79           HN       ASN  79  -8.416   0.550   3.636
  585    HA   ASN  79           HA       ASN  79 -10.742  -0.978   3.363
  586    HB2  ASN  79           HB2      ASN  79  -9.102  -0.131   5.681
  587    HB3  ASN  79           HB1      ASN  79 -10.750  -0.597   6.052
  588   HD21  ASN  79          HD21      ASN  79  -8.839  -2.046   3.481
  589   HD22  ASN  79          HD22      ASN  79  -8.710  -3.604   4.226
  590    H    GLY  80           HN       GLY  80 -10.318   2.257   4.660
  591    HA2  GLY  80           HA2      GLY  80 -13.116   2.519   5.285
  592    HA3  GLY  80           HA1      GLY  80 -11.901   3.787   5.374
  593    H    ALA  81           HN       ALA  81 -10.955   3.557   2.738
  594    HA   ALA  81           HA       ALA  81 -12.738   5.373   1.527
  595    HB1  ALA  81           HB1      ALA  81 -10.354   3.965   0.351
  596    HB2  ALA  81           HB2      ALA  81 -10.318   5.486   1.246
  597    HB3  ALA  81           HB3      ALA  81 -11.150   5.394  -0.306
  598    H    LEU  82           HN       LEU  82 -11.998   1.972   0.956
  599    HA   LEU  82           HA       LEU  82 -13.731   1.810  -1.283
  600    HB2  LEU  82           HB2      LEU  82 -12.254  -0.195   0.346
  601    HB3  LEU  82           HB1      LEU  82 -13.503  -0.736  -0.745
  602    HG   LEU  82           HG       LEU  82 -10.956   0.749  -1.524
  603   HD11  LEU  82          HD11      LEU  82 -11.858  -2.069  -2.048
  604   HD12  LEU  82          HD12      LEU  82 -10.610  -1.572  -0.907
  605   HD13  LEU  82          HD13      LEU  82 -10.377  -1.311  -2.636
  606   HD21  LEU  82          HD21      LEU  82 -12.865   1.398  -2.935
  607   HD22  LEU  82          HD22      LEU  82 -13.211  -0.305  -3.236
  608   HD23  LEU  82          HD23      LEU  82 -11.704   0.404  -3.818
  609    H    ALA  83           HN       ALA  83 -14.226   1.703   2.098
  610    HA   ALA  83           HA       ALA  83 -16.763   0.357   1.944
  611    HB1  ALA  83           HB1      ALA  83 -17.032   1.044   4.293
  612    HB2  ALA  83           HB2      ALA  83 -15.602   2.068   4.158
  613    HB3  ALA  83           HB3      ALA  83 -15.448   0.315   4.026
  614    H    GLU  84           HN       GLU  84 -15.565   3.635   1.939
  615    HA   GLU  84           HA       GLU  84 -18.115   4.899   1.955
  616    HB2  GLU  84           HB2      GLU  84 -15.430   5.913   1.015
  617    HB3  GLU  84           HB1      GLU  84 -16.864   6.908   1.219
  618    HG2  GLU  84           HG2      GLU  84 -16.881   6.437   3.595
  619    HG3  GLU  84           HG1      GLU  84 -15.480   5.381   3.405
  620    H    ALA  85           HN       ALA  85 -16.194   3.389  -0.419
  621    HA   ALA  85           HA       ALA  85 -17.799   4.503  -2.603
  622    HB1  ALA  85           HB1      ALA  85 -15.266   2.868  -2.714
  623    HB2  ALA  85           HB2      ALA  85 -15.365   4.621  -2.859
  624    HB3  ALA  85           HB3      ALA  85 -16.096   3.589  -4.093
  625    H    ALA  86           HN       ALA  86 -18.381   2.203  -0.554
  626    HA   ALA  86           HA       ALA  86 -18.846   0.027  -2.422
  627    HB1  ALA  86           HB1      ALA  86 -19.332   0.177   0.558
  628    HB2  ALA  86           HB2      ALA  86 -17.917  -0.534  -0.216
  629    HB3  ALA  86           HB3      ALA  86 -19.508  -1.263  -0.444
  630    H28  SXM  87          H28A      SXM  87   8.407  12.761   2.537
  631   H28A  SXM  87          H28B      SXM  87   9.695  13.237   1.425
  632    H30  SXM  87          H30A      SXM  87   6.150  13.366   2.156
  633   H30A  SXM  87          H30B      SXM  87   6.192  12.435   0.659
  634   H30B  SXM  87          H30C      SXM  87   5.624  14.103   0.644
  635    H31  SXM  87          H31C      SXM  87   8.946  15.609   1.308
  636   H31A  SXM  87          H31A      SXM  87   7.705  15.242   2.507
  637   H31B  SXM  87          H31B      SXM  87   7.256  15.984   0.971
  638    H32  SXM  87          H32A      SXM  87   7.488  14.790  -1.155
  639   HO33  SXM  87          H33A      SXM  87   7.797  12.068  -0.688
  640   HN36  SXM  87          H36A      SXM  87   9.213  12.556  -2.210
  641    H37  SXM  87          H37B      SXM  87  11.968  13.092  -1.569
  642   H37A  SXM  87          H37A      SXM  87  11.475  13.789  -3.115
  643    H38  SXM  87          H38A      SXM  87  11.273  10.876  -2.349
  644   H38A  SXM  87          H38B      SXM  87  10.745  11.576  -3.870
  645   HN41  SXM  87          H41A      SXM  87  13.382  13.313  -3.308
  646    H42  SXM  87          H42A      SXM  87  15.701  12.054  -3.401
  647   H42A  SXM  87          H42B      SXM  87  15.095  11.769  -5.037
  648    H43  SXM  87          H43A      SXM  87  16.622  13.733  -4.849
  649   H43A  SXM  87          H43B      SXM  87  15.454  14.521  -3.771
  650    H2   SXM  87           H2A      SXM  87  11.151  15.144  -5.642
  651    H2A  SXM  87           H2B      SXM  87  11.990  14.141  -6.818
  Start of MODEL   17
    1    H1   MET   1           HT1      MET   1 -21.707  -9.429   1.356
    2    H2   MET   1           HT2      MET   1 -21.697  -8.261   0.106
    3    H3   MET   1           HT3      MET   1 -21.660  -7.780   1.713
    4    HA   MET   1           HA       MET   1 -19.557  -8.611   2.098
    5    HB2  MET   1           HB2      MET   1 -19.698 -10.569   0.567
    6    HB3  MET   1           HB1      MET   1 -19.585  -9.483  -0.809
    7    HG2  MET   1           HG2      MET   1 -17.350  -8.804  -0.107
    8    HG3  MET   1           HG1      MET   1 -17.461  -9.867   1.292
    9    HE1  MET   1           HE1      MET   1 -17.203  -9.661  -2.631
   10    HE2  MET   1           HE2      MET   1 -18.710 -10.547  -2.400
   11    HE3  MET   1           HE3      MET   1 -17.305 -11.363  -3.086
   12    H    ALA   2           HN       ALA   2 -18.493  -6.821   2.303
   13    HA   ALA   2           HA       ALA   2 -18.845  -4.612   0.504
   14    HB1  ALA   2           HB1      ALA   2 -17.361  -3.427   2.044
   15    HB2  ALA   2           HB2      ALA   2 -17.005  -4.941   2.877
   16    HB3  ALA   2           HB3      ALA   2 -18.636  -4.271   2.921
   17    H    THR   3           HN       THR   3 -16.839  -3.426  -0.246
   18    HA   THR   3           HA       THR   3 -15.074  -5.336  -1.578
   19    HB   THR   3           HB       THR   3 -15.625  -2.465  -2.090
   20    HG1  THR   3           HG1      THR   3 -17.011  -4.721  -2.682
   21   HG21  THR   3          HG21      THR   3 -13.468  -3.174  -2.982
   22   HG22  THR   3          HG22      THR   3 -14.588  -2.902  -4.316
   23   HG23  THR   3          HG23      THR   3 -14.228  -4.545  -3.785
   24    H    LEU   4           HN       LEU   4 -13.305  -5.601  -0.349
   25    HA   LEU   4           HA       LEU   4 -11.823  -3.232   0.484
   26    HB2  LEU   4           HB2      LEU   4 -12.330  -5.645   2.236
   27    HB3  LEU   4           HB1      LEU   4 -11.128  -4.419   2.577
   28    HG   LEU   4           HG       LEU   4 -14.089  -3.987   2.446
   29   HD11  LEU   4          HD11      LEU   4 -13.916  -3.667   4.889
   30   HD12  LEU   4          HD12      LEU   4 -12.207  -4.092   4.807
   31   HD13  LEU   4          HD13      LEU   4 -13.437  -5.292   4.400
   32   HD21  LEU   4          HD21      LEU   4 -13.596  -1.764   3.390
   33   HD22  LEU   4          HD22      LEU   4 -12.879  -1.986   1.793
   34   HD23  LEU   4          HD23      LEU   4 -11.872  -2.100   3.237
   35    H    LEU   5           HN       LEU   5  -9.526  -3.927   1.040
   36    HA   LEU   5           HA       LEU   5  -8.795  -5.763  -1.074
   37    HB2  LEU   5           HB2      LEU   5  -7.086  -3.766   0.414
   38    HB3  LEU   5           HB1      LEU   5  -6.508  -4.862  -0.825
   39    HG   LEU   5           HG       LEU   5  -8.404  -2.563  -1.136
   40   HD11  LEU   5          HD11      LEU   5  -6.705  -1.751  -2.692
   41   HD12  LEU   5          HD12      LEU   5  -5.703  -3.155  -2.322
   42   HD13  LEU   5          HD13      LEU   5  -6.063  -1.971  -1.066
   43   HD21  LEU   5          HD21      LEU   5  -7.639  -4.649  -3.168
   44   HD22  LEU   5          HD22      LEU   5  -8.549  -3.175  -3.501
   45   HD23  LEU   5          HD23      LEU   5  -9.237  -4.419  -2.459
   46    H    THR   6           HN       THR   6  -7.549  -7.466  -0.793
   47    HA   THR   6           HA       THR   6  -7.573  -8.571   1.879
   48    HB   THR   6           HB       THR   6  -6.777 -10.652   0.718
   49    HG1  THR   6           HG1      THR   6  -7.133  -9.013  -1.614
   50   HG21  THR   6          HG21      THR   6  -8.906 -11.111  -0.440
   51   HG22  THR   6          HG22      THR   6  -9.276  -9.386  -0.439
   52   HG23  THR   6          HG23      THR   6  -9.177 -10.268   1.086
   53    H    THR   7           HN       THR   7  -5.432 -10.112   2.046
   54    HA   THR   7           HA       THR   7  -3.310  -8.291   2.496
   55    HB   THR   7           HB       THR   7  -3.251 -11.326   2.502
   56    HG1  THR   7           HG1      THR   7  -4.945 -10.460   3.822
   57   HG21  THR   7          HG21      THR   7  -1.473 -11.024   4.183
   58   HG22  THR   7          HG22      THR   7  -1.623  -9.272   4.028
   59   HG23  THR   7          HG23      THR   7  -1.038 -10.233   2.667
   60    H    ASP   8           HN       ASP   8  -4.097 -10.730   0.090
   61    HA   ASP   8           HA       ASP   8  -1.685 -10.702  -1.380
   62    HB2  ASP   8           HB2      ASP   8  -4.481 -11.448  -2.214
   63    HB3  ASP   8           HB1      ASP   8  -3.113 -11.534  -3.316
   64    H    ASP   9           HN       ASP   9  -4.570  -8.720  -1.623
   65    HA   ASP   9           HA       ASP   9  -4.032  -7.462  -4.072
   66    HB2  ASP   9           HB2      ASP   9  -5.496  -6.373  -1.660
   67    HB3  ASP   9           HB1      ASP   9  -5.343  -5.478  -3.161
   68    H    LEU  10           HN       LEU  10  -3.230  -6.365  -0.809
   69    HA   LEU  10           HA       LEU  10  -1.696  -4.189  -1.700
   70    HB2  LEU  10           HB2      LEU  10  -1.767  -5.670   0.905
   71    HB3  LEU  10           HB1      LEU  10  -0.570  -4.437   0.611
   72    HG   LEU  10           HG       LEU  10  -2.436  -2.809   0.254
   73   HD11  LEU  10          HD11      LEU  10  -4.145  -5.044   1.302
   74   HD12  LEU  10          HD12      LEU  10  -4.205  -4.347  -0.317
   75   HD13  LEU  10          HD13      LEU  10  -4.646  -3.367   1.083
   76   HD21  LEU  10          HD21      LEU  10  -2.941  -2.570   2.630
   77   HD22  LEU  10          HD22      LEU  10  -1.237  -2.925   2.351
   78   HD23  LEU  10          HD23      LEU  10  -2.320  -4.195   2.922
   79    H    ARG  11           HN       ARG  11  -0.829  -7.453  -0.703
   80    HA   ARG  11           HA       ARG  11   1.910  -7.134  -0.752
   81    HB2  ARG  11           HB2      ARG  11   0.729  -9.031   0.281
   82    HB3  ARG  11           HB1      ARG  11   0.393  -9.671  -1.318
   83    HG2  ARG  11           HG2      ARG  11   2.687 -10.126  -1.710
   84    HG3  ARG  11           HG1      ARG  11   3.177  -9.211  -0.282
   85    HD2  ARG  11           HD2      ARG  11   3.246 -11.643   0.097
   86    HD3  ARG  11           HD1      ARG  11   2.111 -10.828   1.166
   87    HE   ARG  11           HE       ARG  11   0.999 -11.891  -1.266
   88   HH11  ARG  11          HH11      ARG  11   1.690 -12.561   2.182
   89   HH12  ARG  11          HH12      ARG  11   0.523 -13.798   2.312
   90   HH21  ARG  11          HH21      ARG  11  -0.715 -13.554  -0.998
   91   HH22  ARG  11          HH22      ARG  11  -0.891 -14.324   0.489
   92    H    ARG  12           HN       ARG  12  -0.107  -8.414  -3.503
   93    HA   ARG  12           HA       ARG  12   2.086  -8.815  -5.142
   94    HB2  ARG  12           HB2      ARG  12   0.120  -9.933  -5.686
   95    HB3  ARG  12           HB1      ARG  12  -0.852  -8.481  -5.585
   96    HG2  ARG  12           HG2      ARG  12  -0.611  -9.377  -7.784
   97    HG3  ARG  12           HG1      ARG  12  -0.045  -7.714  -7.685
   98    HD2  ARG  12           HD2      ARG  12   1.491  -8.948  -9.095
   99    HD3  ARG  12           HD1      ARG  12   2.309  -8.584  -7.591
  100    HE   ARG  12           HE       ARG  12   1.608 -11.005  -7.026
  101   HH11  ARG  12          HH11      ARG  12   2.233  -9.958 -10.345
  102   HH12  ARG  12          HH12      ARG  12   3.256 -11.248 -10.753
  103   HH21  ARG  12          HH21      ARG  12   3.012 -12.852  -7.576
  104   HH22  ARG  12          HH22      ARG  12   3.617 -12.999  -9.164
  105    H    ALA  13           HN       ALA  13   0.011  -5.931  -4.828
  106    HA   ALA  13           HA       ALA  13   1.353  -4.568  -6.941
  107    HB1  ALA  13           HB1      ALA  13  -0.923  -3.967  -6.259
  108    HB2  ALA  13           HB2      ALA  13   0.165  -2.581  -6.180
  109    HB3  ALA  13           HB3      ALA  13  -0.306  -3.418  -4.701
  110    H    LEU  14           HN       LEU  14   1.817  -4.882  -3.530
  111    HA   LEU  14           HA       LEU  14   3.603  -2.810  -2.970
  112    HB2  LEU  14           HB2      LEU  14   2.347  -4.506  -1.461
  113    HB3  LEU  14           HB1      LEU  14   3.686  -5.575  -1.785
  114    HG   LEU  14           HG       LEU  14   5.194  -3.889  -0.720
  115   HD11  LEU  14          HD11      LEU  14   4.145  -2.165   0.649
  116   HD12  LEU  14          HD12      LEU  14   2.564  -2.613  -0.012
  117   HD13  LEU  14          HD13      LEU  14   3.799  -1.932  -1.067
  118   HD21  LEU  14          HD21      LEU  14   4.481  -4.415   1.549
  119   HD22  LEU  14          HD22      LEU  14   4.356  -5.822   0.492
  120   HD23  LEU  14          HD23      LEU  14   2.906  -4.927   0.944
  121    H    VAL  15           HN       VAL  15   4.135  -6.205  -3.816
  122    HA   VAL  15           HA       VAL  15   6.898  -6.366  -3.910
  123    HB   VAL  15           HB       VAL  15   4.939  -7.814  -5.730
  124   HG11  VAL  15          HG11      VAL  15   6.641  -9.563  -5.844
  125   HG12  VAL  15          HG12      VAL  15   7.731  -8.564  -4.879
  126   HG13  VAL  15          HG13      VAL  15   7.242  -8.036  -6.489
  127   HG21  VAL  15          HG21      VAL  15   4.379  -8.107  -3.396
  128   HG22  VAL  15          HG22      VAL  15   6.039  -8.596  -3.052
  129   HG23  VAL  15          HG23      VAL  15   5.019  -9.598  -4.083
  130    H    GLU  16           HN       GLU  16   4.732  -5.814  -6.670
  131    HA   GLU  16           HA       GLU  16   6.783  -5.462  -8.559
  132    HB2  GLU  16           HB2      GLU  16   3.923  -4.550  -8.667
  133    HB3  GLU  16           HB1      GLU  16   5.029  -4.533 -10.031
  134    HG2  GLU  16           HG2      GLU  16   5.270  -7.002  -9.760
  135    HG3  GLU  16           HG1      GLU  16   3.989  -6.931  -8.547
  136    H    SER  17           HN       SER  17   5.460  -3.191  -6.314
  137    HA   SER  17           HA       SER  17   6.499  -0.969  -7.900
  138    HB2  SER  17           HB2      SER  17   4.721  -0.822  -5.483
  139    HB3  SER  17           HB1      SER  17   5.020   0.431  -6.693
  140    HG   SER  17           HG       SER  17   3.487  -1.868  -6.793
  141    H    ALA  18           HN       ALA  18   7.536  -2.959  -5.513
  142    HA   ALA  18           HA       ALA  18   8.568  -1.381  -3.466
  143    HB1  ALA  18           HB1      ALA  18   8.481  -3.828  -3.399
  144    HB2  ALA  18           HB2      ALA  18  10.099  -3.226  -3.028
  145    HB3  ALA  18           HB3      ALA  18   9.754  -3.905  -4.617
  146    H    GLY  19           HN       GLY  19  10.174  -2.463  -6.406
  147    HA2  GLY  19           HA2      GLY  19  11.612  -0.004  -6.662
  148    HA3  GLY  19           HA1      GLY  19  12.642  -1.339  -6.147
  149    H    GLU  20           HN       GLU  20  12.269  -3.370  -7.410
  150    HA   GLU  20           HA       GLU  20  12.262  -2.696 -10.271
  151    HB2  GLU  20           HB2      GLU  20  13.318  -4.863 -10.614
  152    HB3  GLU  20           HB1      GLU  20  14.195  -3.975  -9.380
  153    HG2  GLU  20           HG2      GLU  20  13.197  -5.291  -7.639
  154    HG3  GLU  20           HG1      GLU  20  12.140  -6.092  -8.800
  155    H    THR  21           HN       THR  21  11.319  -4.564 -11.657
  156    HA   THR  21           HA       THR  21   8.593  -4.992 -11.131
  157    HB   THR  21           HB       THR  21  10.467  -6.539 -12.951
  158    HG1  THR  21           HG1      THR  21   9.156  -4.041 -13.176
  159   HG21  THR  21          HG21      THR  21   8.451  -6.922 -14.295
  160   HG22  THR  21          HG22      THR  21   7.490  -6.034 -13.114
  161   HG23  THR  21          HG23      THR  21   8.244  -7.565 -12.667
  162    H    ASP  22           HN       ASP  22   8.237  -5.983  -9.243
  163    HA   ASP  22           HA       ASP  22   7.877  -7.598  -7.721
  164    HB2  ASP  22           HB2      ASP  22   9.412  -9.511  -9.535
  165    HB3  ASP  22           HB1      ASP  22   8.587  -9.966  -8.053
  166    H    GLY  23           HN       GLY  23   9.168  -6.147  -6.583
  167    HA2  GLY  23           HA2      GLY  23  11.985  -6.712  -6.307
  168    HA3  GLY  23           HA1      GLY  23  11.064  -5.433  -5.519
  169    H    THR  24           HN       THR  24  10.331  -5.735  -3.506
  170    HA   THR  24           HA       THR  24  11.236  -7.992  -1.982
  171    HB   THR  24           HB       THR  24   9.447  -5.719  -1.091
  172    HG1  THR  24           HG1      THR  24  12.266  -5.731  -1.570
  173   HG21  THR  24          HG21      THR  24  11.718  -7.226   0.234
  174   HG22  THR  24          HG22      THR  24  10.002  -7.501   0.530
  175   HG23  THR  24          HG23      THR  24  10.741  -5.968   0.992
  176    H    ASP  25           HN       ASP  25   9.968  -9.791  -1.862
  177    HA   ASP  25           HA       ASP  25   7.324  -9.903  -2.934
  178    HB2  ASP  25           HB2      ASP  25   8.747 -11.833  -3.108
  179    HB3  ASP  25           HB1      ASP  25   8.889 -11.943  -1.358
  180    H    LEU  26           HN       LEU  26   8.546  -9.639   0.319
  181    HA   LEU  26           HA       LEU  26   7.635  -9.504   2.332
  182    HB2  LEU  26           HB2      LEU  26   5.313  -8.303   0.812
  183    HB3  LEU  26           HB1      LEU  26   5.261  -8.503   2.544
  184    HG   LEU  26           HG       LEU  26   5.797  -6.270   2.157
  185   HD11  LEU  26          HD11      LEU  26   8.021  -5.968   3.098
  186   HD12  LEU  26          HD12      LEU  26   8.352  -7.680   2.822
  187   HD13  LEU  26          HD13      LEU  26   7.073  -7.199   3.934
  188   HD21  LEU  26          HD21      LEU  26   7.647  -5.490   0.750
  189   HD22  LEU  26          HD22      LEU  26   6.439  -6.377  -0.176
  190   HD23  LEU  26          HD23      LEU  26   7.960  -7.155   0.257
  191    H    SER  27           HN       SER  27   7.834 -11.810   2.031
  192    HA   SER  27           HA       SER  27   5.517 -13.389   1.689
  193    HB2  SER  27           HB2      SER  27   8.118 -14.122   3.037
  194    HB3  SER  27           HB1      SER  27   6.935 -15.235   2.351
  195    HG   SER  27           HG       SER  27   7.416 -13.797   0.325
  196    H    GLY  28           HN       GLY  28   3.975 -13.800   3.092
  197    HA2  GLY  28           HA2      GLY  28   3.176 -14.527   5.181
  198    HA3  GLY  28           HA1      GLY  28   4.564 -13.764   5.945
  199    H    ASP  29           HN       ASP  29   3.623 -12.485   7.337
  200    HA   ASP  29           HA       ASP  29   1.552 -10.637   6.413
  201    HB2  ASP  29           HB2      ASP  29   2.505 -11.213   9.234
  202    HB3  ASP  29           HB1      ASP  29   1.204 -10.115   8.804
  203    H    PHE  30           HN       PHE  30   2.016  -8.594   6.126
  204    HA   PHE  30           HA       PHE  30   4.712  -7.685   6.871
  205    HB2  PHE  30           HB2      PHE  30   4.681  -6.407   4.706
  206    HB3  PHE  30           HB1      PHE  30   4.743  -8.159   4.544
  207    HD1  PHE  30           HD1      PHE  30   2.638  -5.175   4.133
  208    HD2  PHE  30           HD2      PHE  30   2.905  -9.388   3.589
  209    HE1  PHE  30           HE1      PHE  30   0.632  -5.117   2.721
  210    HE2  PHE  30           HE2      PHE  30   0.899  -9.331   2.184
  211    HZ   PHE  30           HZ       PHE  30  -0.240  -7.196   1.745
  212    H    LEU  31           HN       LEU  31   1.847  -7.187   7.947
  213    HA   LEU  31           HA       LEU  31   1.195  -4.522   7.146
  214    HB2  LEU  31           HB2      LEU  31   0.049  -6.240   9.345
  215    HB3  LEU  31           HB1      LEU  31  -0.540  -4.642   8.961
  216    HG   LEU  31           HG       LEU  31  -2.041  -6.187   8.015
  217   HD11  LEU  31          HD11      LEU  31  -0.295  -5.118   5.821
  218   HD12  LEU  31          HD12      LEU  31  -1.643  -4.297   6.610
  219   HD13  LEU  31          HD13      LEU  31  -1.937  -5.725   5.616
  220   HD21  LEU  31          HD21      LEU  31  -1.405  -7.945   6.415
  221   HD22  LEU  31          HD22      LEU  31  -0.676  -8.186   8.006
  222   HD23  LEU  31          HD23      LEU  31   0.295  -7.547   6.679
  223    H    ASP  32           HN       ASP  32   3.037  -5.880   9.700
  224    HA   ASP  32           HA       ASP  32   3.121  -3.318  11.142
  225    HB2  ASP  32           HB2      ASP  32   4.171  -6.054  11.916
  226    HB3  ASP  32           HB1      ASP  32   4.343  -4.609  12.904
  227    H    LEU  33           HN       LEU  33   4.590  -4.266   8.559
  228    HA   LEU  33           HA       LEU  33   7.325  -3.704   9.379
  229    HB2  LEU  33           HB2      LEU  33   6.114  -4.773   6.844
  230    HB3  LEU  33           HB1      LEU  33   7.718  -4.079   6.827
  231    HG   LEU  33           HG       LEU  33   7.808  -6.509   6.926
  232   HD11  LEU  33          HD11      LEU  33   9.608  -5.267   7.943
  233   HD12  LEU  33          HD12      LEU  33   9.303  -6.756   8.837
  234   HD13  LEU  33          HD13      LEU  33   8.736  -5.213   9.473
  235   HD21  LEU  33          HD21      LEU  33   5.699  -6.917   8.133
  236   HD22  LEU  33          HD22      LEU  33   6.431  -6.278   9.602
  237   HD23  LEU  33          HD23      LEU  33   7.059  -7.757   8.875
  238    H    ARG  34           HN       ARG  34   8.209  -1.818   9.111
  239    HA   ARG  34           HA       ARG  34   6.629   0.370   8.150
  240    HB2  ARG  34           HB2      ARG  34   9.537   0.283   8.968
  241    HB3  ARG  34           HB1      ARG  34   8.601   1.744   8.695
  242    HG2  ARG  34           HG2      ARG  34   7.132   1.156  10.550
  243    HG3  ARG  34           HG1      ARG  34   8.065  -0.320  10.817
  244    HD2  ARG  34           HD2      ARG  34  10.050   1.024  11.281
  245    HD3  ARG  34           HD1      ARG  34   9.119   2.495  11.009
  246    HE   ARG  34           HE       ARG  34   7.850   0.914  12.929
  247   HH11  ARG  34          HH11      ARG  34  10.853   2.798  12.626
  248   HH12  ARG  34          HH12      ARG  34  10.826   3.399  14.222
  249   HH21  ARG  34          HH21      ARG  34   7.853   1.686  15.184
  250   HH22  ARG  34          HH22      ARG  34   9.126   2.689  15.733
  251    H    PHE  35           HN       PHE  35   6.768   1.418   6.252
  252    HA   PHE  35           HA       PHE  35   7.793   0.115   4.016
  253    HB2  PHE  35           HB2      PHE  35   6.842   2.961   4.361
  254    HB3  PHE  35           HB1      PHE  35   7.371   2.389   2.792
  255    HD1  PHE  35           HD2      PHE  35   6.214  -0.189   2.365
  256    HD2  PHE  35           HD1      PHE  35   4.599   3.112   4.538
  257    HE1  PHE  35           HE2      PHE  35   3.975  -1.038   1.990
  258    HE2  PHE  35           HE1      PHE  35   2.342   2.235   4.158
  259    HZ   PHE  35           HZ       PHE  35   2.060   0.142   2.742
  260    H    GLU  36           HN       GLU  36   9.206   2.791   5.849
  261    HA   GLU  36           HA       GLU  36  11.452   3.145   4.178
  262    HB2  GLU  36           HB2      GLU  36  12.503   4.293   6.057
  263    HB3  GLU  36           HB1      GLU  36  10.823   4.782   5.899
  264    HG2  GLU  36           HG2      GLU  36  10.213   3.315   7.753
  265    HG3  GLU  36           HG1      GLU  36  11.888   2.786   7.892
  266    H    ASP  37           HN       ASP  37  10.710   0.749   6.511
  267    HA   ASP  37           HA       ASP  37  13.409  -0.114   7.012
  268    HB2  ASP  37           HB2      ASP  37  11.714  -0.321   8.750
  269    HB3  ASP  37           HB1      ASP  37  10.735  -1.341   7.706
  270    H    ILE  38           HN       ILE  38  10.687  -1.123   5.048
  271    HA   ILE  38           HA       ILE  38  12.181  -3.408   4.102
  272    HB   ILE  38           HB       ILE  38  10.131  -3.995   2.797
  273   HG12  ILE  38          HG12      ILE  38   8.943  -1.622   4.277
  274   HG13  ILE  38          HG11      ILE  38   9.192  -1.734   2.545
  275   HG21  ILE  38          HG21      ILE  38   9.805  -3.575   5.758
  276   HG22  ILE  38          HG22      ILE  38  10.573  -4.951   4.968
  277   HG23  ILE  38          HG23      ILE  38   8.839  -4.678   4.773
  278   HD11  ILE  38          HD11      ILE  38   7.555  -3.546   2.418
  279   HD12  ILE  38          HD12      ILE  38   6.858  -2.093   3.140
  280   HD13  ILE  38          HD13      ILE  38   7.316  -3.452   4.163
  281    H    GLY  39           HN       GLY  39  13.027  -0.734   3.434
  282    HA2  GLY  39           HA2      GLY  39  14.326   0.037   1.684
  283    HA3  GLY  39           HA1      GLY  39  13.817  -1.362   0.759
  284    H    TYR  40           HN       TYR  40  11.315   0.664   2.041
  285    HA   TYR  40           HA       TYR  40  10.811   1.657  -0.669
  286    HB2  TYR  40           HB2      TYR  40   9.015   1.457   1.754
  287    HB3  TYR  40           HB1      TYR  40   8.576   2.371   0.327
  288    HD1  TYR  40           HD1      TYR  40  10.143  -0.981   0.700
  289    HD2  TYR  40           HD2      TYR  40   6.800   1.262  -0.647
  290    HE1  TYR  40           HE1      TYR  40   9.175  -3.017  -0.231
  291    HE2  TYR  40           HE2      TYR  40   5.818  -0.771  -1.605
  292    HH   TYR  40           HH       TYR  40   6.605  -3.035  -2.383
  293    H    ASP  41           HN       ASP  41  10.434   3.781  -1.040
  294    HA   ASP  41           HA       ASP  41  10.942   5.684   1.117
  295    HB2  ASP  41           HB2      ASP  41  12.106   7.092  -0.430
  296    HB3  ASP  41           HB1      ASP  41  12.745   5.488  -0.779
  297    H    SER  42           HN       SER  42   9.890   7.924  -0.196
  298    HA   SER  42           HA       SER  42   7.171   7.246  -0.205
  299    HB2  SER  42           HB2      SER  42   6.910   9.640  -1.025
  300    HB3  SER  42           HB1      SER  42   7.648   9.419   0.561
  301    H    LEU  43           HN       LEU  43   9.521   7.729  -2.815
  302    HA   LEU  43           HA       LEU  43   7.679   7.941  -4.932
  303    HB2  LEU  43           HB2      LEU  43  10.113   8.479  -5.079
  304    HB3  LEU  43           HB1      LEU  43  10.483   6.779  -4.966
  305    HG   LEU  43           HG       LEU  43   8.952   7.988  -7.292
  306   HD11  LEU  43          HD11      LEU  43  11.074   7.950  -8.501
  307   HD12  LEU  43          HD12      LEU  43  11.903   7.456  -7.024
  308   HD13  LEU  43          HD13      LEU  43  11.134   9.038  -7.115
  309   HD21  LEU  43          HD21      LEU  43   9.684   5.958  -8.491
  310   HD22  LEU  43          HD22      LEU  43   8.721   5.533  -7.086
  311   HD23  LEU  43          HD23      LEU  43  10.476   5.374  -7.028
  312    H    ALA  44           HN       ALA  44   9.381   5.106  -3.629
  313    HA   ALA  44           HA       ALA  44   8.113   3.235  -5.301
  314    HB1  ALA  44           HB1      ALA  44   8.905   1.522  -3.780
  315    HB2  ALA  44           HB2      ALA  44   9.193   2.728  -2.523
  316    HB3  ALA  44           HB3      ALA  44  10.158   2.739  -4.001
  317    H    LEU  45           HN       LEU  45   7.206   4.533  -2.141
  318    HA   LEU  45           HA       LEU  45   5.030   2.759  -1.873
  319    HB2  LEU  45           HB2      LEU  45   6.027   3.798   0.106
  320    HB3  LEU  45           HB1      LEU  45   5.522   5.378  -0.441
  321    HG   LEU  45           HG       LEU  45   4.128   4.353   1.455
  322   HD11  LEU  45          HD11      LEU  45   2.029   5.093   0.664
  323   HD12  LEU  45          HD12      LEU  45   2.665   5.169  -0.990
  324   HD13  LEU  45          HD13      LEU  45   3.334   6.214   0.273
  325   HD21  LEU  45          HD21      LEU  45   4.049   2.068   0.608
  326   HD22  LEU  45          HD22      LEU  45   3.120   2.619  -0.786
  327   HD23  LEU  45          HD23      LEU  45   2.432   2.732   0.836
  328    H    MET  46           HN       MET  46   5.253   6.074  -3.083
  329    HA   MET  46           HA       MET  46   2.539   6.619  -3.464
  330    HB2  MET  46           HB2      MET  46   4.859   7.389  -5.240
  331    HB3  MET  46           HB1      MET  46   3.244   8.071  -5.353
  332    HG2  MET  46           HG2      MET  46   4.905   8.169  -2.895
  333    HG3  MET  46           HG1      MET  46   4.972   9.410  -4.144
  334    HE1  MET  46           HE1      MET  46   4.442  11.201  -2.249
  335    HE2  MET  46           HE2      MET  46   4.387   9.913  -1.045
  336    HE3  MET  46           HE3      MET  46   3.076  11.086  -1.140
  337    H    GLU  47           HN       GLU  47   4.824   5.018  -5.546
  338    HA   GLU  47           HA       GLU  47   3.135   4.503  -7.706
  339    HB2  GLU  47           HB2      GLU  47   5.593   4.419  -7.607
  340    HB3  GLU  47           HB1      GLU  47   5.492   2.918  -6.711
  341    HG2  GLU  47           HG2      GLU  47   5.920   2.348  -8.997
  342    HG3  GLU  47           HG1      GLU  47   4.273   1.876  -8.597
  343    H    THR  48           HN       THR  48   4.033   2.536  -4.901
  344    HA   THR  48           HA       THR  48   2.524   0.232  -5.380
  345    HB   THR  48           HB       THR  48   3.181   1.531  -2.716
  346    HG1  THR  48           HG1      THR  48   5.104   1.105  -3.852
  347   HG21  THR  48          HG21      THR  48   2.978  -0.730  -1.804
  348   HG22  THR  48          HG22      THR  48   2.518  -1.336  -3.395
  349   HG23  THR  48          HG23      THR  48   1.462  -0.207  -2.540
  350    H    ALA  49           HN       ALA  49   1.754   2.992  -3.292
  351    HA   ALA  49           HA       ALA  49  -0.771   2.237  -2.475
  352    HB1  ALA  49           HB1      ALA  49   0.327   5.046  -2.714
  353    HB2  ALA  49           HB2      ALA  49   0.663   3.960  -1.381
  354    HB3  ALA  49           HB3      ALA  49  -0.990   4.521  -1.661
  355    H    ALA  50           HN       ALA  50   0.148   4.492  -5.093
  356    HA   ALA  50           HA       ALA  50  -2.470   5.099  -5.880
  357    HB1  ALA  50           HB1      ALA  50  -0.523   6.446  -6.505
  358    HB2  ALA  50           HB2      ALA  50  -1.488   5.999  -7.912
  359    HB3  ALA  50           HB3      ALA  50   0.025   5.152  -7.571
  360    H    ARG  51           HN       ARG  51  -0.301   2.514  -6.864
  361    HA   ARG  51           HA       ARG  51  -1.896   1.584  -8.984
  362    HB2  ARG  51           HB2      ARG  51   0.446   1.010  -8.836
  363    HB3  ARG  51           HB1      ARG  51   0.188   0.194  -7.306
  364    HG2  ARG  51           HG2      ARG  51  -0.885  -1.616  -8.338
  365    HG3  ARG  51           HG1      ARG  51  -1.112  -0.723  -9.845
  366    HD2  ARG  51           HD2      ARG  51   1.586  -1.407  -8.713
  367    HD3  ARG  51           HD1      ARG  51   0.734  -2.423  -9.876
  368    HE   ARG  51           HE       ARG  51   0.682  -0.286 -11.258
  369   HH11  ARG  51          HH11      ARG  51   3.408  -0.935  -9.056
  370   HH12  ARG  51          HH12      ARG  51   4.576  -0.363 -10.128
  371   HH21  ARG  51          HH21      ARG  51   2.286   0.586 -12.660
  372   HH22  ARG  51          HH22      ARG  51   3.939   0.617 -12.200
  373    H    LEU  52           HN       LEU  52  -2.005   1.028  -5.559
  374    HA   LEU  52           HA       LEU  52  -3.974  -1.062  -5.671
  375    HB2  LEU  52           HB2      LEU  52  -3.275   0.892  -3.468
  376    HB3  LEU  52           HB1      LEU  52  -4.375  -0.453  -3.279
  377    HG   LEU  52           HG       LEU  52  -1.439  -0.729  -3.931
  378   HD11  LEU  52          HD11      LEU  52  -2.904  -1.074  -1.316
  379   HD12  LEU  52          HD12      LEU  52  -1.779   0.229  -1.712
  380   HD13  LEU  52          HD13      LEU  52  -1.200  -1.432  -1.606
  381   HD21  LEU  52          HD21      LEU  52  -2.813  -2.599  -4.692
  382   HD22  LEU  52          HD22      LEU  52  -3.515  -2.742  -3.079
  383   HD23  LEU  52          HD23      LEU  52  -1.794  -3.056  -3.327
  384    H    GLU  53           HN       GLU  53  -4.057   2.374  -4.876
  385    HA   GLU  53           HA       GLU  53  -6.682   2.873  -4.524
  386    HB2  GLU  53           HB2      GLU  53  -4.691   4.656  -5.892
  387    HB3  GLU  53           HB1      GLU  53  -6.232   5.127  -5.203
  388    HG2  GLU  53           HG2      GLU  53  -5.505   4.731  -3.012
  389    HG3  GLU  53           HG1      GLU  53  -4.036   3.923  -3.575
  390    H    SER  54           HN       SER  54  -4.935   3.328  -7.583
  391    HA   SER  54           HA       SER  54  -7.180   4.252  -8.988
  392    HB2  SER  54           HB2      SER  54  -4.813   4.837  -9.484
  393    HB3  SER  54           HB1      SER  54  -4.572   3.205 -10.097
  394    HG   SER  54           HG       SER  54  -5.047   4.859 -11.675
  395    H    ARG  55           HN       ARG  55  -5.991   1.024  -8.435
  396    HA   ARG  55           HA       ARG  55  -7.347  -0.086 -10.725
  397    HB2  ARG  55           HB2      ARG  55  -5.320  -1.156  -9.740
  398    HB3  ARG  55           HB1      ARG  55  -6.246  -1.517  -8.291
  399    HG2  ARG  55           HG2      ARG  55  -7.761  -2.925  -9.642
  400    HG3  ARG  55           HG1      ARG  55  -6.763  -2.603 -11.058
  401    HD2  ARG  55           HD2      ARG  55  -4.839  -3.623  -9.905
  402    HD3  ARG  55           HD1      ARG  55  -5.870  -3.973  -8.520
  403    HE   ARG  55           HE       ARG  55  -6.860  -5.049 -10.994
  404   HH11  ARG  55          HH11      ARG  55  -4.686  -5.737  -8.293
  405   HH12  ARG  55          HH12      ARG  55  -4.758  -7.429  -8.459
  406   HH21  ARG  55          HH21      ARG  55  -6.933  -7.261 -11.293
  407   HH22  ARG  55          HH22      ARG  55  -6.092  -8.367 -10.294
  408    H    TYR  56           HN       TYR  56  -8.179   0.729  -7.487
  409    HA   TYR  56           HA       TYR  56 -10.629  -0.835  -7.783
  410    HB2  TYR  56           HB2      TYR  56  -9.152  -0.184  -5.235
  411    HB3  TYR  56           HB1      TYR  56 -10.697  -1.032  -5.316
  412    HD1  TYR  56           HD1      TYR  56 -10.746  -3.173  -6.784
  413    HD2  TYR  56           HD2      TYR  56  -7.156  -1.434  -5.321
  414    HE1  TYR  56           HE1      TYR  56  -9.585  -5.304  -7.127
  415    HE2  TYR  56           HE2      TYR  56  -5.977  -3.569  -5.657
  416    HH   TYR  56           HH       TYR  56  -6.746  -6.115  -5.751
  417    H    GLY  57           HN       GLY  57  -9.666   2.183  -8.085
  418    HA2  GLY  57           HA2      GLY  57 -10.983   4.036  -8.452
  419    HA3  GLY  57           HA1      GLY  57 -12.360   3.129  -7.856
  420    H    VAL  58           HN       VAL  58  -9.333   3.877  -6.128
  421    HA   VAL  58           HA       VAL  58 -10.886   5.726  -4.493
  422    HB   VAL  58           HB       VAL  58  -9.847   5.031  -2.402
  423   HG11  VAL  58          HG11      VAL  58 -10.779   2.831  -2.114
  424   HG12  VAL  58          HG12      VAL  58 -10.857   2.648  -3.863
  425   HG13  VAL  58          HG13      VAL  58 -11.872   3.863  -3.056
  426   HG21  VAL  58          HG21      VAL  58  -8.459   2.877  -3.959
  427   HG22  VAL  58          HG22      VAL  58  -8.391   3.103  -2.205
  428   HG23  VAL  58          HG23      VAL  58  -7.678   4.310  -3.282
  429    H    SER  59           HN       SER  59  -9.233   7.034  -2.992
  430    HA   SER  59           HA       SER  59  -6.752   7.530  -4.401
  431    HB2  SER  59           HB2      SER  59  -8.853   9.693  -4.096
  432    HB3  SER  59           HB1      SER  59  -7.222   9.921  -4.732
  433    HG   SER  59           HG       SER  59  -8.261   7.913  -6.022
  434    H    ILE  60           HN       ILE  60  -5.253   7.740  -2.970
  435    HA   ILE  60           HA       ILE  60  -5.790   8.940  -0.339
  436    HB   ILE  60           HB       ILE  60  -3.603   6.996  -1.211
  437   HG12  ILE  60          HG12      ILE  60  -5.891   6.639   0.738
  438   HG13  ILE  60          HG11      ILE  60  -5.806   5.961  -0.882
  439   HG21  ILE  60          HG21      ILE  60  -2.800   6.982   1.115
  440   HG22  ILE  60          HG22      ILE  60  -3.995   8.198   1.544
  441   HG23  ILE  60          HG23      ILE  60  -2.695   8.597   0.426
  442   HD11  ILE  60          HD11      ILE  60  -3.969   5.296   1.407
  443   HD12  ILE  60          HD12      ILE  60  -3.904   4.593  -0.210
  444   HD13  ILE  60          HD13      ILE  60  -5.304   4.307   0.826
  445    HA   PRO  61           HA       PRO  61  -3.735  12.400  -2.359
  446    HB2  PRO  61           HB2      PRO  61  -3.437  13.736   0.106
  447    HB3  PRO  61           HB1      PRO  61  -4.736  13.959  -1.067
  448    HG2  PRO  61           HG2      PRO  61  -4.686  12.351   1.422
  449    HG3  PRO  61           HG1      PRO  61  -6.044  13.186   0.654
  450    HD2  PRO  61           HD2      PRO  61  -5.757  10.515   0.575
  451    HD3  PRO  61           HD1      PRO  61  -6.467  11.418  -0.776
  452    H    ASP  62           HN       ASP  62  -1.703  13.149  -2.520
  453    HA   ASP  62           HA       ASP  62   0.445  11.483  -2.177
  454    HB2  ASP  62           HB2      ASP  62   0.519  14.493  -2.364
  455    HB3  ASP  62           HB1      ASP  62   1.939  13.468  -2.502
  456    H    ASP  63           HN       ASP  63  -0.078  14.334  -0.123
  457    HA   ASP  63           HA       ASP  63   1.997  13.838   1.671
  458    HB2  ASP  63           HB2      ASP  63   1.002  15.982   1.759
  459    HB3  ASP  63           HB1      ASP  63  -0.597  15.313   2.063
  460    H    VAL  64           HN       VAL  64  -1.268  12.572   1.712
  461    HA   VAL  64           HA       VAL  64  -0.978  11.406   4.319
  462    HB   VAL  64           HB       VAL  64  -3.120  10.891   2.219
  463   HG11  VAL  64          HG11      VAL  64  -2.994   9.085   3.858
  464   HG12  VAL  64          HG12      VAL  64  -4.466  10.030   4.079
  465   HG13  VAL  64          HG13      VAL  64  -3.099  10.255   5.171
  466   HG21  VAL  64          HG21      VAL  64  -3.063  13.222   2.906
  467   HG22  VAL  64          HG22      VAL  64  -3.121  12.741   4.602
  468   HG23  VAL  64          HG23      VAL  64  -4.498  12.424   3.548
  469    H    ALA  65           HN       ALA  65  -0.628  10.335   0.996
  470    HA   ALA  65           HA       ALA  65  -0.154   7.602   1.551
  471    HB1  ALA  65           HB1      ALA  65  -0.599   8.425  -0.735
  472    HB2  ALA  65           HB2      ALA  65   0.935   7.549  -0.657
  473    HB3  ALA  65           HB3      ALA  65   0.932   9.307  -0.702
  474    H    GLY  66           HN       GLY  66   1.873  10.457   1.415
  475    HA2  GLY  66           HA2      GLY  66   4.314   9.124   1.973
  476    HA3  GLY  66           HA1      GLY  66   4.006  10.841   2.099
  477    H    ARG  67           HN       ARG  67   1.633   9.408   3.878
  478    HA   ARG  67           HA       ARG  67   3.053   9.906   6.404
  479    HB2  ARG  67           HB2      ARG  67   1.037  11.261   5.849
  480    HB3  ARG  67           HB1      ARG  67   0.084   9.791   5.854
  481    HG2  ARG  67           HG2      ARG  67   0.700   9.488   8.256
  482    HG3  ARG  67           HG1      ARG  67   1.485  11.068   8.194
  483    HD2  ARG  67           HD2      ARG  67  -1.424  10.468   7.692
  484    HD3  ARG  67           HD1      ARG  67  -0.743  11.315   9.080
  485    HE   ARG  67           HE       ARG  67   0.079  12.715   6.868
  486   HH11  ARG  67          HH11      ARG  67  -3.067  11.893   8.354
  487   HH12  ARG  67          HH12      ARG  67  -3.836  13.283   7.743
  488   HH21  ARG  67          HH21      ARG  67  -1.060  14.576   5.961
  489   HH22  ARG  67          HH22      ARG  67  -2.681  14.834   6.394
  490    H    VAL  68           HN       VAL  68   1.690   7.388   4.495
  491    HA   VAL  68           HA       VAL  68   1.106   5.718   6.753
  492    HB   VAL  68           HB       VAL  68   0.753   3.840   5.118
  493   HG11  VAL  68          HG11      VAL  68  -0.740   6.376   4.571
  494   HG12  VAL  68          HG12      VAL  68  -1.074   5.195   5.840
  495   HG13  VAL  68          HG13      VAL  68  -1.284   4.756   4.145
  496   HG21  VAL  68          HG21      VAL  68   2.249   4.567   3.275
  497   HG22  VAL  68          HG22      VAL  68   1.178   5.953   2.993
  498   HG23  VAL  68          HG23      VAL  68   0.592   4.333   2.720
  499    H    ASP  69           HN       ASP  69   2.525   4.906   7.976
  500    HA   ASP  69           HA       ASP  69   5.246   4.564   7.079
  501    HB2  ASP  69           HB2      ASP  69   4.868   5.567   9.259
  502    HB3  ASP  69           HB1      ASP  69   3.913   4.183   9.763
  503    H    THR  70           HN       THR  70   2.536   2.654   8.136
  504    HA   THR  70           HA       THR  70   3.985   0.245   7.268
  505    HB   THR  70           HB       THR  70   2.510  -1.006   8.880
  506    HG1  THR  70           HG1      THR  70   1.816   1.669   9.593
  507   HG21  THR  70          HG21      THR  70   4.810  -0.395   9.478
  508   HG22  THR  70          HG22      THR  70   3.737  -0.319  10.884
  509   HG23  THR  70          HG23      THR  70   4.222   1.165  10.062
  510    HA   PRO  71           HA       PRO  71   0.795  -0.539   4.246
  511    HB2  PRO  71           HB2      PRO  71   0.860  -3.388   5.065
  512    HB3  PRO  71           HB1      PRO  71   1.175  -2.663   3.483
  513    HG2  PRO  71           HG2      PRO  71   3.172  -3.624   4.950
  514    HG3  PRO  71           HG1      PRO  71   3.364  -2.122   4.022
  515    HD2  PRO  71           HD2      PRO  71   2.842  -2.488   6.947
  516    HD3  PRO  71           HD1      PRO  71   3.972  -1.380   6.136
  517    H    ARG  72           HN       ARG  72   0.448  -1.627   7.512
  518    HA   ARG  72           HA       ARG  72  -2.245  -2.472   7.436
  519    HB2  ARG  72           HB2      ARG  72  -0.706  -2.930   9.329
  520    HB3  ARG  72           HB1      ARG  72  -0.715  -1.220   9.736
  521    HG2  ARG  72           HG2      ARG  72  -3.126  -1.356  10.145
  522    HG3  ARG  72           HG1      ARG  72  -3.073  -3.080   9.785
  523    HD2  ARG  72           HD2      ARG  72  -1.568  -1.697  11.996
  524    HD3  ARG  72           HD1      ARG  72  -3.067  -2.600  12.192
  525    HE   ARG  72           HE       ARG  72  -0.457  -3.743  11.443
  526   HH11  ARG  72          HH11      ARG  72  -3.764  -4.213  12.600
  527   HH12  ARG  72          HH12      ARG  72  -3.449  -5.690  13.390
  528   HH21  ARG  72          HH21      ARG  72   0.003  -5.823  12.571
  529   HH22  ARG  72          HH22      ARG  72  -1.281  -6.563  13.424
  530    H    GLU  73           HN       GLU  73  -0.711   0.647   8.044
  531    HA   GLU  73           HA       GLU  73  -3.044   2.179   8.491
  532    HB2  GLU  73           HB2      GLU  73  -0.316   2.923   7.453
  533    HB3  GLU  73           HB1      GLU  73  -1.523   4.096   7.935
  534    HG2  GLU  73           HG2      GLU  73  -1.446   3.318  10.188
  535    HG3  GLU  73           HG1      GLU  73  -0.354   2.008   9.729
  536    H    LEU  74           HN       LEU  74  -1.169   1.365   5.660
  537    HA   LEU  74           HA       LEU  74  -2.488   2.989   3.781
  538    HB2  LEU  74           HB2      LEU  74  -0.295   1.820   3.446
  539    HB3  LEU  74           HB1      LEU  74  -1.171   0.309   3.332
  540    HG   LEU  74           HG       LEU  74  -2.256   1.076   1.277
  541   HD11  LEU  74          HD11      LEU  74  -2.274   3.468   1.729
  542   HD12  LEU  74          HD12      LEU  74  -1.500   3.123   0.180
  543   HD13  LEU  74          HD13      LEU  74  -0.516   3.516   1.592
  544   HD21  LEU  74          HD21      LEU  74   0.749   1.324   1.259
  545   HD22  LEU  74          HD22      LEU  74  -0.268   1.020  -0.151
  546   HD23  LEU  74          HD23      LEU  74  -0.172  -0.175   1.143
  547    H    LEU  75           HN       LEU  75  -3.043  -0.372   4.796
  548    HA   LEU  75           HA       LEU  75  -5.267  -0.819   3.124
  549    HB2  LEU  75           HB2      LEU  75  -3.998  -2.666   4.072
  550    HB3  LEU  75           HB1      LEU  75  -4.442  -2.175   5.693
  551    HG   LEU  75           HG       LEU  75  -6.784  -2.753   5.242
  552   HD11  LEU  75          HD11      LEU  75  -7.423  -3.934   3.207
  553   HD12  LEU  75          HD12      LEU  75  -5.803  -3.705   2.548
  554   HD13  LEU  75          HD13      LEU  75  -6.847  -2.313   2.845
  555   HD21  LEU  75          HD21      LEU  75  -6.495  -5.183   5.128
  556   HD22  LEU  75          HD22      LEU  75  -5.306  -4.436   6.194
  557   HD23  LEU  75          HD23      LEU  75  -4.837  -4.956   4.575
  558    H    ASP  76           HN       ASP  76  -4.900   0.576   6.299
  559    HA   ASP  76           HA       ASP  76  -7.621   0.473   7.104
  560    HB2  ASP  76           HB2      ASP  76  -5.679   0.966   8.625
  561    HB3  ASP  76           HB1      ASP  76  -5.576   2.561   7.888
  562    H    LEU  77           HN       LEU  77  -5.654   2.897   5.522
  563    HA   LEU  77           HA       LEU  77  -7.655   4.842   5.202
  564    HB2  LEU  77           HB2      LEU  77  -5.210   4.307   3.535
  565    HB3  LEU  77           HB1      LEU  77  -6.201   5.741   3.419
  566    HG   LEU  77           HG       LEU  77  -4.497   4.902   5.758
  567   HD11  LEU  77          HD11      LEU  77  -3.249   5.805   3.896
  568   HD12  LEU  77          HD12      LEU  77  -3.259   6.937   5.239
  569   HD13  LEU  77          HD13      LEU  77  -4.302   7.216   3.844
  570   HD21  LEU  77          HD21      LEU  77  -6.557   5.954   6.554
  571   HD22  LEU  77          HD22      LEU  77  -6.288   7.317   5.470
  572   HD23  LEU  77          HD23      LEU  77  -5.168   7.015   6.802
  573    H    ILE  78           HN       ILE  78  -6.556   2.194   3.143
  574    HA   ILE  78           HA       ILE  78  -8.383   2.841   1.093
  575    HB   ILE  78           HB       ILE  78  -6.807   0.308   1.576
  576   HG12  ILE  78          HG12      ILE  78  -6.524   2.627  -0.330
  577   HG13  ILE  78          HG11      ILE  78  -5.431   2.164   0.966
  578   HG21  ILE  78          HG21      ILE  78  -7.438  -0.402  -0.696
  579   HG22  ILE  78          HG22      ILE  78  -8.523   0.982  -0.823
  580   HG23  ILE  78          HG23      ILE  78  -8.848  -0.287   0.358
  581   HD11  ILE  78          HD11      ILE  78  -5.993   0.588  -1.505
  582   HD12  ILE  78          HD12      ILE  78  -4.812   0.156  -0.259
  583   HD13  ILE  78          HD13      ILE  78  -4.577   1.605  -1.263
  584    H    ASN  79           HN       ASN  79  -8.618   0.879   3.930
  585    HA   ASN  79           HA       ASN  79 -11.118  -0.299   3.356
  586    HB2  ASN  79           HB2      ASN  79  -9.686   0.344   5.895
  587    HB3  ASN  79           HB1      ASN  79 -11.408   0.035   6.000
  588   HD21  ASN  79          HD21      ASN  79  -9.219  -1.529   3.739
  589   HD22  ASN  79          HD22      ASN  79  -9.369  -3.113   4.419
  590    H    GLY  80           HN       GLY  80 -10.277   2.792   4.802
  591    HA2  GLY  80           HA2      GLY  80 -12.956   3.640   5.217
  592    HA3  GLY  80           HA1      GLY  80 -11.524   4.668   5.192
  593    H    ALA  81           HN       ALA  81 -10.763   3.800   2.547
  594    HA   ALA  81           HA       ALA  81 -12.300   5.678   1.042
  595    HB1  ALA  81           HB1      ALA  81 -10.698   5.226  -0.733
  596    HB2  ALA  81           HB2      ALA  81 -10.056   3.862   0.180
  597    HB3  ALA  81           HB3      ALA  81  -9.876   5.504   0.802
  598    H    LEU  82           HN       LEU  82 -11.657   2.184   0.720
  599    HA   LEU  82           HA       LEU  82 -13.362   1.788  -1.481
  600    HB2  LEU  82           HB2      LEU  82 -12.094  -0.045   0.489
  601    HB3  LEU  82           HB1      LEU  82 -13.286  -0.661  -0.628
  602    HG   LEU  82           HG       LEU  82 -10.624   0.603  -1.396
  603   HD11  LEU  82          HD11      LEU  82 -10.436  -1.596  -0.374
  604   HD12  LEU  82          HD12      LEU  82 -10.069  -1.645  -2.098
  605   HD13  LEU  82          HD13      LEU  82 -11.627  -2.227  -1.510
  606   HD21  LEU  82          HD21      LEU  82 -12.416   1.033  -3.042
  607   HD22  LEU  82          HD22      LEU  82 -12.768  -0.696  -3.087
  608   HD23  LEU  82          HD23      LEU  82 -11.209  -0.098  -3.654
  609    H    ALA  83           HN       ALA  83 -13.979   1.586   1.993
  610    HA   ALA  83           HA       ALA  83 -16.531   0.364   1.704
  611    HB1  ALA  83           HB1      ALA  83 -15.495   2.076   3.954
  612    HB2  ALA  83           HB2      ALA  83 -15.271   0.329   3.819
  613    HB3  ALA  83           HB3      ALA  83 -16.894   1.004   4.026
  614    H    GLU  84           HN       GLU  84 -15.353   3.548   1.398
  615    HA   GLU  84           HA       GLU  84 -17.949   4.772   1.689
  616    HB2  GLU  84           HB2      GLU  84 -15.766   5.785   2.488
  617    HB3  GLU  84           HB1      GLU  84 -15.375   6.054   0.797
  618    HG2  GLU  84           HG2      GLU  84 -16.229   8.028   1.831
  619    HG3  GLU  84           HG1      GLU  84 -17.347   7.476   0.569
  620    H    ALA  85           HN       ALA  85 -15.459   4.405  -0.819
  621    HA   ALA  85           HA       ALA  85 -17.161   5.387  -2.894
  622    HB1  ALA  85           HB1      ALA  85 -15.313   4.810  -4.383
  623    HB2  ALA  85           HB2      ALA  85 -14.501   3.961  -3.068
  624    HB3  ALA  85           HB3      ALA  85 -14.727   5.707  -2.983
  625    H    ALA  86           HN       ALA  86 -18.907   4.155  -3.107
  626    HA   ALA  86           HA       ALA  86 -18.577   1.278  -3.400
  627    HB1  ALA  86           HB1      ALA  86 -20.281   2.029  -1.811
  628    HB2  ALA  86           HB2      ALA  86 -21.006   1.160  -3.165
  629    HB3  ALA  86           HB3      ALA  86 -21.092   2.919  -3.102
  630    H28  SXM  87          H28A      SXM  87   7.637  13.844  -1.713
  631   H28A  SXM  87          H28B      SXM  87   9.032  13.669  -2.769
  632    H30  SXM  87          H30A      SXM  87   5.861  11.944  -3.382
  633   H30A  SXM  87          H30B      SXM  87   5.118  13.204  -4.366
  634   H30B  SXM  87          H30C      SXM  87   5.346  13.458  -2.635
  635    H31  SXM  87          H31C      SXM  87   7.985  15.553  -4.094
  636   H31A  SXM  87          H31A      SXM  87   6.556  15.540  -3.060
  637   H31B  SXM  87          H31B      SXM  87   6.383  15.344  -4.804
  638    H32  SXM  87          H32A      SXM  87   8.767  13.314  -5.240
  639   HO33  SXM  87          H33A      SXM  87   7.679  14.100  -6.790
  640   HN36  SXM  87          H36A      SXM  87   6.629  11.815  -6.855
  641    H37  SXM  87          H37B      SXM  87   5.803   9.383  -6.420
  642   H37A  SXM  87          H37A      SXM  87   7.525   9.140  -6.068
  643    H38  SXM  87          H38A      SXM  87   8.056   9.967  -8.381
  644   H38A  SXM  87          H38B      SXM  87   7.381   8.396  -8.166
  645   HN41  SXM  87          H41A      SXM  87   7.336   9.580 -10.527
  646    H42  SXM  87          H42A      SXM  87   4.873   9.079 -11.515
  647   H42A  SXM  87          H42B      SXM  87   4.947  10.850 -11.333
  648    H43  SXM  87          H43A      SXM  87   7.055   9.166 -12.667
  649   H43A  SXM  87          H43B      SXM  87   6.832  10.928 -12.858
  650    H2   SXM  87           H2A      SXM  87   6.944   9.259 -17.329
  651    H2A  SXM  87           H2B      SXM  87   5.239   9.472 -16.945
  Start of MODEL   18
    1    H1   MET   1           HT1      MET   1 -18.522  -6.343   5.755
    2    H2   MET   1           HT2      MET   1 -17.530  -5.298   4.855
    3    H3   MET   1           HT3      MET   1 -17.935  -6.808   4.228
    4    HA   MET   1           HA       MET   1 -20.231  -6.206   4.128
    5    HB2  MET   1           HB2      MET   1 -20.219  -4.533   5.913
    6    HB3  MET   1           HB1      MET   1 -19.149  -3.508   4.976
    7    HG2  MET   1           HG2      MET   1 -20.902  -3.111   3.360
    8    HG3  MET   1           HG1      MET   1 -21.970  -4.228   4.216
    9    HE1  MET   1           HE1      MET   1 -23.798  -2.245   4.231
   10    HE2  MET   1           HE2      MET   1 -22.656  -1.140   3.463
   11    HE3  MET   1           HE3      MET   1 -23.500  -0.656   4.935
   12    H    ALA   2           HN       ALA   2 -17.582  -3.956   3.272
   13    HA   ALA   2           HA       ALA   2 -18.334  -4.290   0.462
   14    HB1  ALA   2           HB1      ALA   2 -16.898  -2.318   0.104
   15    HB2  ALA   2           HB2      ALA   2 -16.534  -2.286   1.827
   16    HB3  ALA   2           HB3      ALA   2 -18.180  -1.973   1.268
   17    H    THR   3           HN       THR   3 -16.541  -4.746  -1.002
   18    HA   THR   3           HA       THR   3 -14.738  -6.613   0.236
   19    HB   THR   3           HB       THR   3 -13.956  -6.996  -2.153
   20    HG1  THR   3           HG1      THR   3 -16.044  -5.099  -2.678
   21   HG21  THR   3          HG21      THR   3 -15.604  -8.439  -1.092
   22   HG22  THR   3          HG22      THR   3 -16.001  -8.210  -2.795
   23   HG23  THR   3          HG23      THR   3 -16.895  -7.331  -1.555
   24    H    LEU   4           HN       LEU   4 -13.092  -5.846   1.246
   25    HA   LEU   4           HA       LEU   4 -11.727  -3.443   0.335
   26    HB2  LEU   4           HB2      LEU   4 -11.280  -5.110   2.810
   27    HB3  LEU   4           HB1      LEU   4 -10.622  -3.519   2.489
   28    HG   LEU   4           HG       LEU   4 -13.521  -4.173   2.900
   29   HD11  LEU   4          HD11      LEU   4 -13.315  -2.908   4.965
   30   HD12  LEU   4          HD12      LEU   4 -11.577  -2.738   4.685
   31   HD13  LEU   4          HD13      LEU   4 -12.279  -4.336   4.960
   32   HD21  LEU   4          HD21      LEU   4 -13.865  -1.741   2.927
   33   HD22  LEU   4          HD22      LEU   4 -13.274  -2.320   1.370
   34   HD23  LEU   4          HD23      LEU   4 -12.174  -1.510   2.486
   35    H    LEU   5           HN       LEU   5  -9.279  -3.556   0.452
   36    HA   LEU   5           HA       LEU   5  -8.342  -5.471  -1.320
   37    HB2  LEU   5           HB2      LEU   5  -6.803  -3.643   0.534
   38    HB3  LEU   5           HB1      LEU   5  -6.075  -4.689  -0.677
   39    HG   LEU   5           HG       LEU   5  -8.032  -2.489  -1.249
   40   HD11  LEU   5          HD11      LEU   5  -5.040  -2.620  -1.506
   41   HD12  LEU   5          HD12      LEU   5  -5.939  -1.657  -0.332
   42   HD13  LEU   5          HD13      LEU   5  -6.066  -1.298  -2.055
   43   HD21  LEU   5          HD21      LEU   5  -8.027  -4.286  -2.896
   44   HD22  LEU   5          HD22      LEU   5  -6.272  -4.162  -3.029
   45   HD23  LEU   5          HD23      LEU   5  -7.294  -2.816  -3.535
   46    H    THR   6           HN       THR   6  -7.734  -7.395  -1.133
   47    HA   THR   6           HA       THR   6  -7.616  -8.728   1.379
   48    HB   THR   6           HB       THR   6  -6.975 -10.723  -0.076
   49    HG1  THR   6           HG1      THR   6  -7.511  -8.855  -2.181
   50   HG21  THR   6          HG21      THR   6  -9.203 -10.929  -1.101
   51   HG22  THR   6          HG22      THR   6  -9.474  -9.205  -0.843
   52   HG23  THR   6          HG23      THR   6  -9.303 -10.287   0.538
   53    H    THR   7           HN       THR   7  -5.702  -9.878   2.143
   54    HA   THR   7           HA       THR   7  -3.568  -8.047   2.241
   55    HB   THR   7           HB       THR   7  -3.343 -10.892   3.213
   56    HG1  THR   7           HG1      THR   7  -5.137  -8.839   4.042
   57   HG21  THR   7          HG21      THR   7  -2.181  -9.790   5.070
   58   HG22  THR   7          HG22      THR   7  -2.544  -8.211   4.382
   59   HG23  THR   7          HG23      THR   7  -1.455  -9.313   3.534
   60    H    ASP   8           HN       ASP   8  -4.117 -10.994   0.417
   61    HA   ASP   8           HA       ASP   8  -1.415 -11.283  -0.524
   62    HB2  ASP   8           HB2      ASP   8  -4.007 -12.432  -1.582
   63    HB3  ASP   8           HB1      ASP   8  -2.447 -12.753  -2.327
   64    H    ASP   9           HN       ASP   9  -4.259  -9.653  -1.741
   65    HA   ASP   9           HA       ASP   9  -3.177  -8.983  -4.308
   66    HB2  ASP   9           HB2      ASP   9  -5.629  -8.990  -3.730
   67    HB3  ASP   9           HB1      ASP   9  -5.340  -7.586  -2.730
   68    H    LEU  10           HN       LEU  10  -3.517  -7.358  -1.224
   69    HA   LEU  10           HA       LEU  10  -2.254  -4.933  -1.778
   70    HB2  LEU  10           HB2      LEU  10  -3.515  -5.402   0.278
   71    HB3  LEU  10           HB1      LEU  10  -2.300  -6.556   0.769
   72    HG   LEU  10           HG       LEU  10  -0.652  -4.690   0.909
   73   HD11  LEU  10          HD11      LEU  10  -1.704  -3.123  -0.607
   74   HD12  LEU  10          HD12      LEU  10  -1.475  -2.396   0.983
   75   HD13  LEU  10          HD13      LEU  10  -3.074  -2.954   0.490
   76   HD21  LEU  10          HD21      LEU  10  -1.775  -5.524   2.893
   77   HD22  LEU  10          HD22      LEU  10  -3.122  -4.420   2.614
   78   HD23  LEU  10          HD23      LEU  10  -1.527  -3.782   3.006
   79    H    ARG  11           HN       ARG  11  -0.994  -8.037  -0.653
   80    HA   ARG  11           HA       ARG  11   1.683  -7.442  -0.300
   81    HB2  ARG  11           HB2      ARG  11   0.627  -9.626   0.285
   82    HB3  ARG  11           HB1      ARG  11   0.564 -10.020  -1.427
   83    HG2  ARG  11           HG2      ARG  11   3.058  -9.825  -1.486
   84    HG3  ARG  11           HG1      ARG  11   3.027  -9.639   0.267
   85    HD2  ARG  11           HD2      ARG  11   2.050 -12.018  -1.315
   86    HD3  ARG  11           HD1      ARG  11   3.515 -11.935  -0.342
   87    HE   ARG  11           HE       ARG  11   1.035 -11.428   1.060
   88   HH11  ARG  11          HH11      ARG  11   3.458 -13.909   0.190
   89   HH12  ARG  11          HH12      ARG  11   2.982 -14.959   1.443
   90   HH21  ARG  11          HH21      ARG  11   0.413 -12.889   2.661
   91   HH22  ARG  11          HH22      ARG  11   1.186 -14.398   2.899
   92    H    ARG  12           HN       ARG  12   0.124  -8.767  -3.273
   93    HA   ARG  12           HA       ARG  12   2.397  -8.747  -4.789
   94    HB2  ARG  12           HB2      ARG  12   0.507 -10.049  -5.368
   95    HB3  ARG  12           HB1      ARG  12  -0.517  -8.633  -5.475
   96    HG2  ARG  12           HG2      ARG  12   0.138  -9.732  -7.567
   97    HG3  ARG  12           HG1      ARG  12   0.408  -7.986  -7.514
   98    HD2  ARG  12           HD2      ARG  12   2.278  -9.305  -8.597
   99    HD3  ARG  12           HD1      ARG  12   2.778  -8.299  -7.245
  100    HE   ARG  12           HE       ARG  12   2.153 -10.971  -6.471
  101   HH11  ARG  12          HH11      ARG  12   4.755  -8.981  -7.957
  102   HH12  ARG  12          HH12      ARG  12   6.000  -9.965  -7.359
  103   HH21  ARG  12          HH21      ARG  12   3.887 -12.197  -5.589
  104   HH22  ARG  12          HH22      ARG  12   5.517 -11.834  -5.967
  105    H    ALA  13           HN       ALA  13  -0.093  -6.219  -4.518
  106    HA   ALA  13           HA       ALA  13   1.054  -4.489  -6.420
  107    HB1  ALA  13           HB1      ALA  13  -0.276  -2.731  -5.380
  108    HB2  ALA  13           HB2      ALA  13  -0.558  -3.762  -3.976
  109    HB3  ALA  13           HB3      ALA  13  -1.221  -4.210  -5.549
  110    H    LEU  14           HN       LEU  14   1.587  -4.845  -2.966
  111    HA   LEU  14           HA       LEU  14   3.316  -2.664  -2.599
  112    HB2  LEU  14           HB2      LEU  14   2.090  -3.970  -0.836
  113    HB3  LEU  14           HB1      LEU  14   3.244  -5.264  -1.069
  114    HG   LEU  14           HG       LEU  14   5.049  -3.714  -0.360
  115   HD11  LEU  14          HD11      LEU  14   4.428  -1.638   0.751
  116   HD12  LEU  14          HD12      LEU  14   2.742  -1.902   0.308
  117   HD13  LEU  14          HD13      LEU  14   3.950  -1.629  -0.946
  118   HD21  LEU  14          HD21      LEU  14   2.783  -4.094   1.592
  119   HD22  LEU  14          HD22      LEU  14   4.464  -3.754   2.011
  120   HD23  LEU  14          HD23      LEU  14   4.043  -5.267   1.214
  121    H    VAL  15           HN       VAL  15   3.845  -6.049  -3.413
  122    HA   VAL  15           HA       VAL  15   6.671  -6.039  -3.400
  123    HB   VAL  15           HB       VAL  15   4.795  -7.797  -5.036
  124   HG11  VAL  15          HG11      VAL  15   7.711  -8.197  -4.375
  125   HG12  VAL  15          HG12      VAL  15   7.054  -7.809  -5.965
  126   HG13  VAL  15          HG13      VAL  15   6.676  -9.356  -5.208
  127   HG21  VAL  15          HG21      VAL  15   5.172  -9.471  -3.298
  128   HG22  VAL  15          HG22      VAL  15   4.437  -8.014  -2.635
  129   HG23  VAL  15          HG23      VAL  15   6.157  -8.320  -2.399
  130    H    GLU  16           HN       GLU  16   4.315  -5.463  -5.978
  131    HA   GLU  16           HA       GLU  16   6.118  -5.201  -8.113
  132    HB2  GLU  16           HB2      GLU  16   3.466  -3.797  -7.744
  133    HB3  GLU  16           HB1      GLU  16   4.347  -3.933  -9.255
  134    HG2  GLU  16           HG2      GLU  16   3.190  -6.215  -7.678
  135    HG3  GLU  16           HG1      GLU  16   2.482  -5.488  -9.116
  136    H    SER  17           HN       SER  17   4.628  -2.652  -6.107
  137    HA   SER  17           HA       SER  17   6.223  -0.654  -7.350
  138    HB2  SER  17           HB2      SER  17   4.321  -0.468  -5.018
  139    HB3  SER  17           HB1      SER  17   4.970   0.886  -5.948
  140    HG   SER  17           HG       SER  17   3.720   0.388  -7.621
  141    H    ALA  18           HN       ALA  18   6.978  -2.834  -5.007
  142    HA   ALA  18           HA       ALA  18   8.424  -1.384  -3.061
  143    HB1  ALA  18           HB1      ALA  18   7.880  -3.763  -2.819
  144    HB2  ALA  18           HB2      ALA  18   9.608  -3.470  -2.613
  145    HB3  ALA  18           HB3      ALA  18   9.002  -4.150  -4.124
  146    H    GLY  19           HN       GLY  19   9.052  -1.986  -6.317
  147    HA2  GLY  19           HA2      GLY  19  11.398  -0.398  -6.271
  148    HA3  GLY  19           HA1      GLY  19  11.762  -2.097  -6.584
  149    H    GLU  20           HN       GLU  20  11.422  -2.906  -8.518
  150    HA   GLU  20           HA       GLU  20   9.805  -1.311 -10.344
  151    HB2  GLU  20           HB2      GLU  20  12.220  -0.950 -10.743
  152    HB3  GLU  20           HB1      GLU  20  12.408  -2.676 -11.013
  153    HG2  GLU  20           HG2      GLU  20  11.053  -2.578 -12.972
  154    HG3  GLU  20           HG1      GLU  20  10.639  -0.893 -12.653
  155    H    THR  21           HN       THR  21   8.061  -2.567 -10.165
  156    HA   THR  21           HA       THR  21   6.704  -4.323 -10.252
  157    HB   THR  21           HB       THR  21   6.858  -5.499 -12.595
  158    HG1  THR  21           HG1      THR  21   8.327  -4.746 -13.913
  159   HG21  THR  21          HG21      THR  21   5.202  -3.866 -11.924
  160   HG22  THR  21          HG22      THR  21   5.749  -3.540 -13.573
  161   HG23  THR  21          HG23      THR  21   6.343  -2.558 -12.225
  162    H    ASP  22           HN       ASP  22   7.394  -5.371  -8.575
  163    HA   ASP  22           HA       ASP  22   7.734  -7.207  -7.368
  164    HB2  ASP  22           HB2      ASP  22   7.277  -8.719  -9.354
  165    HB3  ASP  22           HB1      ASP  22   8.976  -8.596  -9.785
  166    H    GLY  23           HN       GLY  23   8.923  -5.705  -6.416
  167    HA2  GLY  23           HA2      GLY  23  11.794  -5.680  -6.991
  168    HA3  GLY  23           HA1      GLY  23  10.929  -4.507  -6.011
  169    H    THR  24           HN       THR  24   9.567  -6.405  -4.359
  170    HA   THR  24           HA       THR  24  11.504  -8.085  -3.053
  171    HB   THR  24           HB       THR  24  10.448  -5.602  -1.622
  172    HG1  THR  24           HG1      THR  24  12.471  -5.762  -3.160
  173   HG21  THR  24          HG21      THR  24  12.264  -7.815  -0.634
  174   HG22  THR  24          HG22      THR  24  10.587  -7.570  -0.152
  175   HG23  THR  24          HG23      THR  24  11.813  -6.375   0.279
  176    H    ASP  25           HN       ASP  25  10.155  -9.812  -2.802
  177    HA   ASP  25           HA       ASP  25   7.328  -9.524  -2.418
  178    HB2  ASP  25           HB2      ASP  25   8.233 -11.488  -3.571
  179    HB3  ASP  25           HB1      ASP  25   9.087 -11.968  -2.111
  180    H    LEU  26           HN       LEU  26   6.154  -9.659  -0.614
  181    HA   LEU  26           HA       LEU  26   7.627  -9.593   1.890
  182    HB2  LEU  26           HB2      LEU  26   4.874  -8.518   1.229
  183    HB3  LEU  26           HB1      LEU  26   5.487  -8.633   2.861
  184    HG   LEU  26           HG       LEU  26   5.674  -6.391   2.207
  185   HD11  LEU  26          HD11      LEU  26   7.538  -7.141   3.485
  186   HD12  LEU  26          HD12      LEU  26   8.063  -5.924   2.321
  187   HD13  LEU  26          HD13      LEU  26   8.394  -7.630   2.023
  188   HD21  LEU  26          HD21      LEU  26   6.888  -5.611   0.218
  189   HD22  LEU  26          HD22      LEU  26   5.498  -6.610  -0.203
  190   HD23  LEU  26          HD23      LEU  26   7.124  -7.287  -0.283
  191    H    SER  27           HN       SER  27   7.804 -11.770   1.645
  192    HA   SER  27           HA       SER  27   5.743 -13.672   1.697
  193    HB2  SER  27           HB2      SER  27   8.403 -13.993   3.055
  194    HB3  SER  27           HB1      SER  27   7.441 -15.217   2.223
  195    HG   SER  27           HG       SER  27   7.799 -13.552   0.352
  196    H    GLY  28           HN       GLY  28   4.237 -13.952   3.256
  197    HA2  GLY  28           HA2      GLY  28   3.649 -14.660   5.431
  198    HA3  GLY  28           HA1      GLY  28   5.057 -13.810   6.063
  199    H    ASP  29           HN       ASP  29   3.507 -12.900   7.627
  200    HA   ASP  29           HA       ASP  29   1.712 -10.965   6.478
  201    HB2  ASP  29           HB2      ASP  29   0.867 -10.542   8.699
  202    HB3  ASP  29           HB1      ASP  29   1.029 -12.278   8.525
  203    H    PHE  30           HN       PHE  30   2.001  -8.846   6.448
  204    HA   PHE  30           HA       PHE  30   4.760  -8.036   7.063
  205    HB2  PHE  30           HB2      PHE  30   4.770  -6.780   4.887
  206    HB3  PHE  30           HB1      PHE  30   4.776  -8.533   4.770
  207    HD1  PHE  30           HD1      PHE  30   2.822  -5.492   4.198
  208    HD2  PHE  30           HD2      PHE  30   2.859  -9.731   3.889
  209    HE1  PHE  30           HE1      PHE  30   0.848  -5.400   2.739
  210    HE2  PHE  30           HE2      PHE  30   0.885  -9.645   2.432
  211    HZ   PHE  30           HZ       PHE  30  -0.121  -7.477   1.853
  212    H    LEU  31           HN       LEU  31   1.647  -7.250   7.737
  213    HA   LEU  31           HA       LEU  31   1.610  -4.488   7.337
  214    HB2  LEU  31           HB2      LEU  31  -0.049  -6.376   8.891
  215    HB3  LEU  31           HB1      LEU  31  -0.157  -4.682   9.325
  216    HG   LEU  31           HG       LEU  31  -0.829  -4.118   7.061
  217   HD11  LEU  31          HD11      LEU  31   0.311  -5.822   5.805
  218   HD12  LEU  31          HD12      LEU  31  -1.408  -5.768   5.427
  219   HD13  LEU  31          HD13      LEU  31  -0.774  -7.056   6.462
  220   HD21  LEU  31          HD21      LEU  31  -3.039  -5.163   7.071
  221   HD22  LEU  31          HD22      LEU  31  -2.549  -4.604   8.670
  222   HD23  LEU  31          HD23      LEU  31  -2.468  -6.322   8.269
  223    H    ASP  32           HN       ASP  32   3.354  -6.195   9.688
  224    HA   ASP  32           HA       ASP  32   3.460  -4.010  11.590
  225    HB2  ASP  32           HB2      ASP  32   3.597  -6.287  12.404
  226    HB3  ASP  32           HB1      ASP  32   5.001  -6.599  11.401
  227    H    LEU  33           HN       LEU  33   5.165  -4.973   8.783
  228    HA   LEU  33           HA       LEU  33   7.694  -3.840   9.469
  229    HB2  LEU  33           HB2      LEU  33   6.563  -4.797   6.844
  230    HB3  LEU  33           HB1      LEU  33   8.139  -4.057   6.963
  231    HG   LEU  33           HG       LEU  33   8.407  -6.416   6.829
  232   HD11  LEU  33          HD11      LEU  33   9.982  -5.299   8.230
  233   HD12  LEU  33          HD12      LEU  33   9.643  -6.912   8.862
  234   HD13  LEU  33          HD13      LEU  33   8.925  -5.496   9.628
  235   HD21  LEU  33          HD21      LEU  33   6.232  -7.155   7.592
  236   HD22  LEU  33          HD22      LEU  33   6.614  -6.663   9.244
  237   HD23  LEU  33          HD23      LEU  33   7.504  -7.987   8.487
  238    H    ARG  34           HN       ARG  34   8.113  -1.798   9.611
  239    HA   ARG  34           HA       ARG  34   6.477   0.257   8.463
  240    HB2  ARG  34           HB2      ARG  34   9.272   0.407   9.585
  241    HB3  ARG  34           HB1      ARG  34   8.316   1.789   9.103
  242    HG2  ARG  34           HG2      ARG  34   6.697   1.237  10.880
  243    HG3  ARG  34           HG1      ARG  34   7.759  -0.094  11.381
  244    HD2  ARG  34           HD2      ARG  34   9.591   1.472  11.683
  245    HD3  ARG  34           HD1      ARG  34   8.559   2.797  11.179
  246    HE   ARG  34           HE       ARG  34   7.473   1.438  13.422
  247   HH11  ARG  34          HH11      ARG  34   9.742   3.974  12.416
  248   HH12  ARG  34          HH12      ARG  34  10.050   4.541  13.980
  249   HH21  ARG  34          HH21      ARG  34   7.751   2.227  15.482
  250   HH22  ARG  34          HH22      ARG  34   8.845   3.478  15.890
  251    H    PHE  35           HN       PHE  35   6.935   1.525   6.690
  252    HA   PHE  35           HA       PHE  35   8.372   0.230   4.636
  253    HB2  PHE  35           HB2      PHE  35   7.057   2.924   4.738
  254    HB3  PHE  35           HB1      PHE  35   7.846   2.290   3.292
  255    HD1  PHE  35           HD2      PHE  35   7.121  -0.305   2.863
  256    HD2  PHE  35           HD1      PHE  35   4.816   2.689   4.784
  257    HE1  PHE  35           HE2      PHE  35   5.078  -1.527   2.316
  258    HE2  PHE  35           HE1      PHE  35   2.771   1.479   4.236
  259    HZ   PHE  35           HZ       PHE  35   2.948  -0.698   2.933
  260    H    GLU  36           HN       GLU  36   9.162   2.874   6.755
  261    HA   GLU  36           HA       GLU  36  11.568   3.679   5.513
  262    HB2  GLU  36           HB2      GLU  36  12.149   4.679   7.646
  263    HB3  GLU  36           HB1      GLU  36  10.434   4.924   7.359
  264    HG2  GLU  36           HG2      GLU  36   9.918   3.070   8.882
  265    HG3  GLU  36           HG1      GLU  36  11.638   2.824   9.157
  266    H    ASP  37           HN       ASP  37  10.717   0.929   7.348
  267    HA   ASP  37           HA       ASP  37  13.410   0.240   8.129
  268    HB2  ASP  37           HB2      ASP  37  11.553  -0.214   9.655
  269    HB3  ASP  37           HB1      ASP  37  10.796  -1.247   8.450
  270    H    ILE  38           HN       ILE  38  11.005  -0.722   5.781
  271    HA   ILE  38           HA       ILE  38  12.881  -2.669   4.729
  272    HB   ILE  38           HB       ILE  38  10.989  -3.477   3.279
  273   HG12  ILE  38          HG12      ILE  38   9.357  -1.637   5.060
  274   HG13  ILE  38          HG11      ILE  38   9.588  -1.450   3.328
  275   HG21  ILE  38          HG21      ILE  38   9.884  -4.678   5.126
  276   HG22  ILE  38          HG22      ILE  38  10.620  -3.548   6.262
  277   HG23  ILE  38          HG23      ILE  38  11.641  -4.619   5.300
  278   HD11  ILE  38          HD11      ILE  38   8.141  -3.720   4.686
  279   HD12  ILE  38          HD12      ILE  38   8.375  -3.543   2.946
  280   HD13  ILE  38          HD13      ILE  38   7.398  -2.369   3.825
  281    H    GLY  39           HN       GLY  39  13.221   0.146   4.398
  282    HA2  GLY  39           HA2      GLY  39  14.253   1.488   2.856
  283    HA3  GLY  39           HA1      GLY  39  14.455   0.046   1.890
  284    H    TYR  40           HN       TYR  40  11.317   1.454   2.718
  285    HA   TYR  40           HA       TYR  40  10.835   1.842  -0.122
  286    HB2  TYR  40           HB2      TYR  40   9.115   1.759   2.303
  287    HB3  TYR  40           HB1      TYR  40   8.547   2.618   0.887
  288    HD1  TYR  40           HD1      TYR  40  10.178  -0.694   1.561
  289    HD2  TYR  40           HD2      TYR  40   7.029   1.448  -0.318
  290    HE1  TYR  40           HE1      TYR  40   9.243  -2.807   0.730
  291    HE2  TYR  40           HE2      TYR  40   6.088  -0.632  -1.166
  292    HH   TYR  40           HH       TYR  40   6.717  -2.964  -1.599
  293    H    ASP  41           HN       ASP  41  11.117   3.714  -1.025
  294    HA   ASP  41           HA       ASP  41  11.099   6.088   0.625
  295    HB2  ASP  41           HB2      ASP  41  11.826   5.623  -2.260
  296    HB3  ASP  41           HB1      ASP  41  11.551   7.245  -1.637
  297    H    SER  42           HN       SER  42   9.883   7.970  -0.280
  298    HA   SER  42           HA       SER  42   7.215   7.433   0.064
  299    HB2  SER  42           HB2      SER  42   6.920   9.741  -0.839
  300    HB3  SER  42           HB1      SER  42   7.972   9.569   0.568
  301    H    LEU  43           HN       LEU  43   8.873   8.193  -3.022
  302    HA   LEU  43           HA       LEU  43   6.496   8.279  -4.517
  303    HB2  LEU  43           HB2      LEU  43   8.804   9.166  -5.170
  304    HB3  LEU  43           HB1      LEU  43   9.216   7.530  -5.609
  305    HG   LEU  43           HG       LEU  43   8.673   9.008  -7.540
  306   HD11  LEU  43          HD11      LEU  43   6.789   6.689  -7.235
  307   HD12  LEU  43          HD12      LEU  43   8.444   6.623  -7.846
  308   HD13  LEU  43          HD13      LEU  43   7.205   7.492  -8.751
  309   HD21  LEU  43          HD21      LEU  43   6.965  10.375  -6.513
  310   HD22  LEU  43          HD22      LEU  43   5.889   8.982  -6.394
  311   HD23  LEU  43          HD23      LEU  43   6.344   9.613  -7.978
  312    H    ALA  44           HN       ALA  44   8.660   5.603  -3.794
  313    HA   ALA  44           HA       ALA  44   7.389   3.690  -5.450
  314    HB1  ALA  44           HB1      ALA  44   8.544   2.021  -4.067
  315    HB2  ALA  44           HB2      ALA  44   8.935   3.270  -2.885
  316    HB3  ALA  44           HB3      ALA  44   9.629   3.342  -4.504
  317    H    LEU  45           HN       LEU  45   6.923   4.702  -2.135
  318    HA   LEU  45           HA       LEU  45   4.919   2.811  -1.503
  319    HB2  LEU  45           HB2      LEU  45   6.290   3.899   0.179
  320    HB3  LEU  45           HB1      LEU  45   5.632   5.461  -0.253
  321    HG   LEU  45           HG       LEU  45   3.477   4.856   0.645
  322   HD11  LEU  45          HD11      LEU  45   3.497   2.490   0.025
  323   HD12  LEU  45          HD12      LEU  45   3.131   2.701   1.738
  324   HD13  LEU  45          HD13      LEU  45   4.740   2.181   1.239
  325   HD21  LEU  45          HD21      LEU  45   5.159   5.756   2.167
  326   HD22  LEU  45          HD22      LEU  45   5.736   4.123   2.503
  327   HD23  LEU  45          HD23      LEU  45   4.111   4.603   2.992
  328    H    MET  46           HN       MET  46   4.857   6.126  -2.707
  329    HA   MET  46           HA       MET  46   2.081   6.609  -2.703
  330    HB2  MET  46           HB2      MET  46   4.172   7.598  -4.662
  331    HB3  MET  46           HB1      MET  46   2.550   8.242  -4.507
  332    HG2  MET  46           HG2      MET  46   3.034   9.004  -2.280
  333    HG3  MET  46           HG1      MET  46   4.631   8.272  -2.351
  334    HE1  MET  46           HE1      MET  46   5.793  10.587  -1.673
  335    HE2  MET  46           HE2      MET  46   4.204  11.347  -1.583
  336    HE3  MET  46           HE3      MET  46   5.493  12.109  -2.515
  337    H    GLU  47           HN       GLU  47   4.252   5.261  -5.115
  338    HA   GLU  47           HA       GLU  47   2.457   4.794  -7.186
  339    HB2  GLU  47           HB2      GLU  47   5.088   4.584  -6.860
  340    HB3  GLU  47           HB1      GLU  47   4.695   2.889  -6.654
  341    HG2  GLU  47           HG2      GLU  47   4.125   4.581  -9.085
  342    HG3  GLU  47           HG1      GLU  47   5.367   3.348  -8.934
  343    H    THR  48           HN       THR  48   3.404   2.829  -4.420
  344    HA   THR  48           HA       THR  48   2.022   0.453  -4.945
  345    HB   THR  48           HB       THR  48   2.385   1.752  -2.224
  346    HG1  THR  48           HG1      THR  48   4.403   1.426  -3.553
  347   HG21  THR  48          HG21      THR  48   2.079  -1.139  -3.046
  348   HG22  THR  48          HG22      THR  48   0.847  -0.158  -2.258
  349   HG23  THR  48          HG23      THR  48   2.335  -0.561  -1.398
  350    H    ALA  49           HN       ALA  49   1.021   3.209  -2.941
  351    HA   ALA  49           HA       ALA  49  -1.593   2.378  -2.425
  352    HB1  ALA  49           HB1      ALA  49  -0.456   4.139  -1.147
  353    HB2  ALA  49           HB2      ALA  49  -2.018   4.685  -1.748
  354    HB3  ALA  49           HB3      ALA  49  -0.535   5.203  -2.551
  355    H    ALA  50           HN       ALA  50  -0.404   4.663  -4.898
  356    HA   ALA  50           HA       ALA  50  -2.895   5.277  -5.996
  357    HB1  ALA  50           HB1      ALA  50  -1.684   6.178  -7.892
  358    HB2  ALA  50           HB2      ALA  50  -0.227   5.314  -7.396
  359    HB3  ALA  50           HB3      ALA  50  -0.872   6.607  -6.386
  360    H    ARG  51           HN       ARG  51  -0.687   2.631  -6.728
  361    HA   ARG  51           HA       ARG  51  -1.939   1.710  -9.059
  362    HB2  ARG  51           HB2      ARG  51   0.276   0.922  -8.373
  363    HB3  ARG  51           HB1      ARG  51  -0.412   0.161  -6.950
  364    HG2  ARG  51           HG2      ARG  51  -1.574  -1.447  -8.315
  365    HG3  ARG  51           HG1      ARG  51  -1.062  -0.620  -9.785
  366    HD2  ARG  51           HD2      ARG  51   0.733  -1.988  -7.782
  367    HD3  ARG  51           HD1      ARG  51   0.312  -2.591  -9.385
  368    HE   ARG  51           HE       ARG  51   1.852  -0.145  -8.867
  369   HH11  ARG  51          HH11      ARG  51   1.249  -3.007 -10.896
  370   HH12  ARG  51          HH12      ARG  51   2.444  -2.605 -12.043
  371   HH21  ARG  51          HH21      ARG  51   3.438   0.349 -10.349
  372   HH22  ARG  51          HH22      ARG  51   3.787  -0.623 -11.725
  373    H    LEU  52           HN       LEU  52  -2.733   1.311  -5.738
  374    HA   LEU  52           HA       LEU  52  -4.741  -0.705  -6.230
  375    HB2  LEU  52           HB2      LEU  52  -4.024   0.914  -3.790
  376    HB3  LEU  52           HB1      LEU  52  -5.203  -0.389  -3.818
  377    HG   LEU  52           HG       LEU  52  -2.297  -0.793  -4.536
  378   HD11  LEU  52          HD11      LEU  52  -3.675  -1.288  -1.909
  379   HD12  LEU  52          HD12      LEU  52  -2.456  -0.052  -2.226
  380   HD13  LEU  52          HD13      LEU  52  -2.027  -1.762  -2.322
  381   HD21  LEU  52          HD21      LEU  52  -2.858  -3.153  -4.176
  382   HD22  LEU  52          HD22      LEU  52  -3.839  -2.435  -5.451
  383   HD23  LEU  52          HD23      LEU  52  -4.534  -2.699  -3.853
  384    H    GLU  53           HN       GLU  53  -4.613   2.644  -5.227
  385    HA   GLU  53           HA       GLU  53  -7.337   3.240  -5.096
  386    HB2  GLU  53           HB2      GLU  53  -5.047   5.090  -5.819
  387    HB3  GLU  53           HB1      GLU  53  -6.655   5.501  -5.211
  388    HG2  GLU  53           HG2      GLU  53  -4.673   3.895  -3.681
  389    HG3  GLU  53           HG1      GLU  53  -4.941   5.631  -3.493
  390    H    SER  54           HN       SER  54  -5.189   3.869  -7.941
  391    HA   SER  54           HA       SER  54  -7.360   4.956  -9.405
  392    HB2  SER  54           HB2      SER  54  -4.702   3.912 -10.390
  393    HB3  SER  54           HB1      SER  54  -5.804   4.959 -11.290
  394    HG   SER  54           HG       SER  54  -3.940   5.831  -9.894
  395    H    ARG  55           HN       ARG  55  -6.263   1.830  -8.872
  396    HA   ARG  55           HA       ARG  55  -7.292   0.446 -11.121
  397    HB2  ARG  55           HB2      ARG  55  -5.493  -0.259  -9.637
  398    HB3  ARG  55           HB1      ARG  55  -6.627  -0.369  -8.319
  399    HG2  ARG  55           HG2      ARG  55  -7.702  -2.259  -9.414
  400    HG3  ARG  55           HG1      ARG  55  -6.541  -2.122 -10.757
  401    HD2  ARG  55           HD2      ARG  55  -4.692  -2.379  -9.225
  402    HD3  ARG  55           HD1      ARG  55  -5.794  -2.428  -7.865
  403    HE   ARG  55           HE       ARG  55  -5.799  -4.493  -9.942
  404   HH11  ARG  55          HH11      ARG  55  -5.620  -3.489  -6.537
  405   HH12  ARG  55          HH12      ARG  55  -5.531  -5.075  -5.923
  406   HH21  ARG  55          HH21      ARG  55  -5.646  -6.702  -9.058
  407   HH22  ARG  55          HH22      ARG  55  -5.525  -6.871  -7.355
  408    H    TYR  56           HN       TYR  56  -8.651   1.553  -8.078
  409    HA   TYR  56           HA       TYR  56 -11.174   0.172  -8.712
  410    HB2  TYR  56           HB2      TYR  56 -10.156   1.205  -6.057
  411    HB3  TYR  56           HB1      TYR  56 -11.796   0.619  -6.308
  412    HD1  TYR  56           HD1      TYR  56 -12.184  -1.795  -6.790
  413    HD2  TYR  56           HD2      TYR  56  -8.313  -0.295  -5.865
  414    HE1  TYR  56           HE1      TYR  56 -11.427  -4.064  -6.306
  415    HE2  TYR  56           HE2      TYR  56  -7.539  -2.577  -5.391
  416    HH   TYR  56           HH       TYR  56  -8.612  -4.772  -4.672
  417    H    GLY  57           HN       GLY  57  -9.725   3.245  -8.433
  418    HA2  GLY  57           HA2      GLY  57 -10.723   5.160  -9.455
  419    HA3  GLY  57           HA1      GLY  57 -12.305   4.493  -9.074
  420    H    VAL  58           HN       VAL  58  -9.699   4.543  -6.799
  421    HA   VAL  58           HA       VAL  58 -11.033   6.668  -5.330
  422    HB   VAL  58           HB       VAL  58 -10.389   5.545  -3.162
  423   HG11  VAL  58          HG11      VAL  58 -12.609   5.079  -4.217
  424   HG12  VAL  58          HG12      VAL  58 -11.932   3.721  -3.264
  425   HG13  VAL  58          HG13      VAL  58 -11.774   3.721  -5.022
  426   HG21  VAL  58          HG21      VAL  58  -8.520   4.321  -3.909
  427   HG22  VAL  58          HG22      VAL  58  -9.548   3.329  -4.979
  428   HG23  VAL  58          HG23      VAL  58  -9.709   3.212  -3.221
  429    H    SER  59           HN       SER  59  -9.132   7.407  -3.415
  430    HA   SER  59           HA       SER  59  -6.624   7.662  -4.838
  431    HB2  SER  59           HB2      SER  59  -8.449  10.004  -4.528
  432    HB3  SER  59           HB1      SER  59  -6.734  10.167  -4.933
  433    HG   SER  59           HG       SER  59  -8.049   8.360  -6.473
  434    H    ILE  60           HN       ILE  60  -5.497   6.986  -2.975
  435    HA   ILE  60           HA       ILE  60  -5.520   8.562  -0.562
  436    HB   ILE  60           HB       ILE  60  -3.332   6.718  -1.638
  437   HG12  ILE  60          HG12      ILE  60  -5.294   5.395  -1.229
  438   HG13  ILE  60          HG11      ILE  60  -4.127   5.064   0.043
  439   HG21  ILE  60          HG21      ILE  60  -2.377   8.257  -0.030
  440   HG22  ILE  60          HG22      ILE  60  -2.406   6.637   0.653
  441   HG23  ILE  60          HG23      ILE  60  -3.602   7.826   1.157
  442   HD11  ILE  60          HD11      ILE  60  -6.534   6.848   0.268
  443   HD12  ILE  60          HD12      ILE  60  -5.381   6.498   1.559
  444   HD13  ILE  60          HD13      ILE  60  -6.387   5.207   0.896
  445    HA   PRO  61           HA       PRO  61  -3.319  11.919  -2.634
  446    HB2  PRO  61           HB2      PRO  61  -2.918  12.837   0.167
  447    HB3  PRO  61           HB1      PRO  61  -3.652  13.695  -1.194
  448    HG2  PRO  61           HG2      PRO  61  -5.154  12.770   0.797
  449    HG3  PRO  61           HG1      PRO  61  -5.717  12.694  -0.883
  450    HD2  PRO  61           HD2      PRO  61  -4.565  10.524   0.826
  451    HD3  PRO  61           HD1      PRO  61  -5.935  10.464  -0.304
  452    H    ASP  62           HN       ASP  62  -1.186  11.977  -3.150
  453    HA   ASP  62           HA       ASP  62   0.602  10.124  -2.119
  454    HB2  ASP  62           HB2      ASP  62   2.332  11.112  -3.518
  455    HB3  ASP  62           HB1      ASP  62   0.822  10.976  -4.394
  456    H    ASP  63           HN       ASP  63   0.101  13.386  -1.053
  457    HA   ASP  63           HA       ASP  63   2.501  13.618   0.470
  458    HB2  ASP  63           HB2      ASP  63  -0.199  14.948   0.893
  459    HB3  ASP  63           HB1      ASP  63   1.215  15.310   1.867
  460    H    VAL  64           HN       VAL  64  -0.551  12.138   1.031
  461    HA   VAL  64           HA       VAL  64  -0.032  11.517   3.819
  462    HB   VAL  64           HB       VAL  64  -2.248  10.603   1.969
  463   HG11  VAL  64          HG11      VAL  64  -3.462  10.018   4.032
  464   HG12  VAL  64          HG12      VAL  64  -2.042  10.460   4.982
  465   HG13  VAL  64          HG13      VAL  64  -1.967   9.097   3.868
  466   HG21  VAL  64          HG21      VAL  64  -2.281  13.016   2.250
  467   HG22  VAL  64          HG22      VAL  64  -2.235  12.831   4.005
  468   HG23  VAL  64          HG23      VAL  64  -3.643  12.282   3.097
  469    H    ALA  65           HN       ALA  65  -0.101   9.978   0.677
  470    HA   ALA  65           HA       ALA  65   0.229   7.312   1.342
  471    HB1  ALA  65           HB1      ALA  65   1.472   8.749  -0.995
  472    HB2  ALA  65           HB2      ALA  65  -0.166   8.082  -0.968
  473    HB3  ALA  65           HB3      ALA  65   1.239   7.010  -0.870
  474    H    GLY  66           HN       GLY  66   2.685   9.829   0.893
  475    HA2  GLY  66           HA2      GLY  66   4.832   8.009   1.581
  476    HA3  GLY  66           HA1      GLY  66   4.985   9.734   1.274
  477    H    ARG  67           HN       ARG  67   2.667   8.545   3.564
  478    HA   ARG  67           HA       ARG  67   4.419   9.267   5.805
  479    HB2  ARG  67           HB2      ARG  67   2.980  11.191   5.265
  480    HB3  ARG  67           HB1      ARG  67   1.559  10.175   5.395
  481    HG2  ARG  67           HG2      ARG  67   1.968   9.900   7.787
  482    HG3  ARG  67           HG1      ARG  67   3.432  10.877   7.651
  483    HD2  ARG  67           HD2      ARG  67   0.638  11.808   7.010
  484    HD3  ARG  67           HD1      ARG  67   1.536  12.189   8.483
  485    HE   ARG  67           HE       ARG  67   3.230  13.115   6.732
  486   HH11  ARG  67          HH11      ARG  67  -0.323  13.488   6.610
  487   HH12  ARG  67          HH12      ARG  67  -0.221  14.987   5.802
  488   HH21  ARG  67          HH21      ARG  67   3.323  15.008   5.628
  489   HH22  ARG  67          HH22      ARG  67   1.942  15.874   5.114
  490    H    VAL  68           HN       VAL  68   2.455   6.958   4.388
  491    HA   VAL  68           HA       VAL  68   1.341   5.981   6.842
  492    HB   VAL  68           HB       VAL  68   0.463   4.057   5.454
  493   HG11  VAL  68          HG11      VAL  68  -0.195   6.845   4.564
  494   HG12  VAL  68          HG12      VAL  68  -0.867   5.994   5.958
  495   HG13  VAL  68          HG13      VAL  68  -1.215   5.429   4.323
  496   HG21  VAL  68          HG21      VAL  68   0.440   4.323   3.001
  497   HG22  VAL  68          HG22      VAL  68   2.088   4.080   3.592
  498   HG23  VAL  68          HG23      VAL  68   1.530   5.691   3.139
  499    H    ASP  69           HN       ASP  69   2.671   5.329   8.220
  500    HA   ASP  69           HA       ASP  69   5.194   4.378   8.172
  501    HB2  ASP  69           HB2      ASP  69   3.011   3.509  10.064
  502    HB3  ASP  69           HB1      ASP  69   4.727   3.256  10.331
  503    H    THR  70           HN       THR  70   2.376   2.235   8.320
  504    HA   THR  70           HA       THR  70   4.118   0.007   7.509
  505    HB   THR  70           HB       THR  70   2.537  -1.410   8.774
  506    HG1  THR  70           HG1      THR  70   1.132   0.054  10.281
  507   HG21  THR  70          HG21      THR  70   3.188  -0.702  11.051
  508   HG22  THR  70          HG22      THR  70   3.654   0.882  10.421
  509   HG23  THR  70          HG23      THR  70   4.549  -0.556   9.937
  510    HA   PRO  71           HA       PRO  71   1.203  -0.850   4.158
  511    HB2  PRO  71           HB2      PRO  71   0.941  -3.634   5.168
  512    HB3  PRO  71           HB1      PRO  71   1.460  -3.067   3.576
  513    HG2  PRO  71           HG2      PRO  71   3.221  -4.074   5.294
  514    HG3  PRO  71           HG1      PRO  71   3.633  -2.677   4.278
  515    HD2  PRO  71           HD2      PRO  71   2.858  -2.759   7.168
  516    HD3  PRO  71           HD1      PRO  71   4.120  -1.800   6.368
  517    H    ARG  72           HN       ARG  72   0.570  -1.722   7.416
  518    HA   ARG  72           HA       ARG  72  -2.171  -2.308   7.269
  519    HB2  ARG  72           HB2      ARG  72  -0.830  -2.897   9.208
  520    HB3  ARG  72           HB1      ARG  72  -0.510  -1.205   9.537
  521    HG2  ARG  72           HG2      ARG  72  -2.888  -0.855  10.017
  522    HG3  ARG  72           HG1      ARG  72  -3.197  -2.560   9.693
  523    HD2  ARG  72           HD2      ARG  72  -1.362  -1.482  11.825
  524    HD3  ARG  72           HD1      ARG  72  -2.987  -2.114  12.089
  525    HE   ARG  72           HE       ARG  72  -2.135  -4.246  11.190
  526   HH11  ARG  72          HH11      ARG  72   0.114  -1.960  12.742
  527   HH12  ARG  72          HH12      ARG  72   1.194  -3.182  13.249
  528   HH21  ARG  72          HH21      ARG  72  -0.549  -5.911  11.895
  529   HH22  ARG  72          HH22      ARG  72   0.826  -5.375  12.774
  530    H    GLU  73           HN       GLU  73  -0.331   0.657   7.979
  531    HA   GLU  73           HA       GLU  73  -2.464   2.413   8.391
  532    HB2  GLU  73           HB2      GLU  73   0.256   2.982   7.193
  533    HB3  GLU  73           HB1      GLU  73  -0.864   4.207   7.761
  534    HG2  GLU  73           HG2      GLU  73   0.418   2.084   9.463
  535    HG3  GLU  73           HG1      GLU  73   0.933   3.764   9.351
  536    H    LEU  74           HN       LEU  74  -0.730   1.578   5.439
  537    HA   LEU  74           HA       LEU  74  -2.141   3.245   3.634
  538    HB2  LEU  74           HB2      LEU  74   0.075   2.027   3.230
  539    HB3  LEU  74           HB1      LEU  74  -0.874   0.570   3.037
  540    HG   LEU  74           HG       LEU  74  -1.298   2.921   1.199
  541   HD11  LEU  74          HD11      LEU  74   0.670   0.655   0.890
  542   HD12  LEU  74          HD12      LEU  74   1.080   2.349   1.149
  543   HD13  LEU  74          HD13      LEU  74   0.272   1.854  -0.339
  544   HD21  LEU  74          HD21      LEU  74  -2.969   1.120   1.184
  545   HD22  LEU  74          HD22      LEU  74  -1.687  -0.056   0.877
  546   HD23  LEU  74          HD23      LEU  74  -2.060   1.179  -0.326
  547    H    LEU  75           HN       LEU  75  -2.576  -0.178   4.461
  548    HA   LEU  75           HA       LEU  75  -4.791  -0.648   2.830
  549    HB2  LEU  75           HB2      LEU  75  -3.485  -2.458   3.753
  550    HB3  LEU  75           HB1      LEU  75  -3.917  -1.994   5.381
  551    HG   LEU  75           HG       LEU  75  -6.253  -2.653   4.946
  552   HD11  LEU  75          HD11      LEU  75  -6.324  -2.256   2.541
  553   HD12  LEU  75          HD12      LEU  75  -6.858  -3.879   2.947
  554   HD13  LEU  75          HD13      LEU  75  -5.242  -3.628   2.273
  555   HD21  LEU  75          HD21      LEU  75  -4.717  -4.257   5.929
  556   HD22  LEU  75          HD22      LEU  75  -4.209  -4.781   4.325
  557   HD23  LEU  75          HD23      LEU  75  -5.863  -5.070   4.866
  558    H    ASP  76           HN       ASP  76  -4.578   0.562   6.120
  559    HA   ASP  76           HA       ASP  76  -7.313   0.283   6.798
  560    HB2  ASP  76           HB2      ASP  76  -5.478   0.602   8.445
  561    HB3  ASP  76           HB1      ASP  76  -5.314   2.265   7.899
  562    H    LEU  77           HN       LEU  77  -5.454   2.856   5.347
  563    HA   LEU  77           HA       LEU  77  -7.453   4.831   5.262
  564    HB2  LEU  77           HB2      LEU  77  -5.158   4.265   3.409
  565    HB3  LEU  77           HB1      LEU  77  -6.172   5.678   3.279
  566    HG   LEU  77           HG       LEU  77  -4.345   4.995   5.582
  567   HD11  LEU  77          HD11      LEU  77  -3.159   5.681   3.556
  568   HD12  LEU  77          HD12      LEU  77  -3.060   6.926   4.787
  569   HD13  LEU  77          HD13      LEU  77  -4.175   7.111   3.439
  570   HD21  LEU  77          HD21      LEU  77  -6.061   7.437   5.109
  571   HD22  LEU  77          HD22      LEU  77  -4.905   7.227   6.425
  572   HD23  LEU  77          HD23      LEU  77  -6.341   6.206   6.340
  573    H    ILE  78           HN       ILE  78  -6.528   2.296   2.979
  574    HA   ILE  78           HA       ILE  78  -8.511   3.035   1.082
  575    HB   ILE  78           HB       ILE  78  -7.006   0.402   1.238
  576   HG12  ILE  78          HG12      ILE  78  -6.305   3.003  -0.131
  577   HG13  ILE  78          HG11      ILE  78  -5.394   2.184   1.133
  578   HG21  ILE  78          HG21      ILE  78  -7.489   0.257  -1.157
  579   HG22  ILE  78          HG22      ILE  78  -8.392   1.768  -1.072
  580   HG23  ILE  78          HG23      ILE  78  -8.978   0.341  -0.216
  581   HD11  ILE  78          HD11      ILE  78  -4.295   1.828  -0.956
  582   HD12  ILE  78          HD12      ILE  78  -5.820   1.319  -1.695
  583   HD13  ILE  78          HD13      ILE  78  -5.061   0.292  -0.473
  584    H    ASN  79           HN       ASN  79  -8.340   0.794   3.750
  585    HA   ASN  79           HA       ASN  79 -10.709  -0.616   3.305
  586    HB2  ASN  79           HB2      ASN  79  -9.429   0.191   5.928
  587    HB3  ASN  79           HB1      ASN  79 -10.835  -0.846   5.827
  588   HD21  ASN  79          HD21      ASN  79  -9.759  -2.227   3.415
  589   HD22  ASN  79          HD22      ASN  79  -8.490  -3.231   4.021
  590    H    GLY  80           HN       GLY  80 -10.145   2.529   4.732
  591    HA2  GLY  80           HA2      GLY  80 -12.862   2.949   5.468
  592    HA3  GLY  80           HA1      GLY  80 -11.616   4.183   5.341
  593    H    ALA  81           HN       ALA  81 -10.996   3.588   2.571
  594    HA   ALA  81           HA       ALA  81 -12.992   5.290   1.410
  595    HB1  ALA  81           HB1      ALA  81 -10.578   4.015   0.116
  596    HB2  ALA  81           HB2      ALA  81 -10.606   5.593   0.893
  597    HB3  ALA  81           HB3      ALA  81 -11.551   5.317  -0.561
  598    H    LEU  82           HN       LEU  82 -11.816   2.009   0.780
  599    HA   LEU  82           HA       LEU  82 -13.643   1.506  -1.320
  600    HB2  LEU  82           HB2      LEU  82 -11.999  -0.365   0.352
  601    HB3  LEU  82           HB1      LEU  82 -13.044  -0.913  -0.928
  602    HG   LEU  82           HG       LEU  82 -10.512   0.745  -1.204
  603   HD11  LEU  82          HD11      LEU  82 -10.208  -1.620  -0.861
  604   HD12  LEU  82          HD12      LEU  82  -9.764  -1.141  -2.499
  605   HD13  LEU  82          HD13      LEU  82 -11.294  -1.973  -2.205
  606   HD21  LEU  82          HD21      LEU  82 -12.500  -0.047  -3.344
  607   HD22  LEU  82          HD22      LEU  82 -10.943   0.742  -3.603
  608   HD23  LEU  82          HD23      LEU  82 -12.233   1.597  -2.759
  609    H    ALA  83           HN       ALA  83 -13.968   1.248   2.123
  610    HA   ALA  83           HA       ALA  83 -16.113  -0.600   2.112
  611    HB1  ALA  83           HB1      ALA  83 -16.564   0.150   4.387
  612    HB2  ALA  83           HB2      ALA  83 -15.490   1.530   4.161
  613    HB3  ALA  83           HB3      ALA  83 -14.836  -0.108   4.149
  614    H    GLU  84           HN       GLU  84 -15.899   2.868   1.893
  615    HA   GLU  84           HA       GLU  84 -18.797   3.082   1.838
  616    HB2  GLU  84           HB2      GLU  84 -16.659   5.206   1.845
  617    HB3  GLU  84           HB1      GLU  84 -18.392   5.501   1.949
  618    HG2  GLU  84           HG2      GLU  84 -16.689   4.045   3.959
  619    HG3  GLU  84           HG1      GLU  84 -17.407   5.642   4.140
  620    H    ALA  85           HN       ALA  85 -17.613   1.748  -0.267
  621    HA   ALA  85           HA       ALA  85 -18.675   3.293  -2.460
  622    HB1  ALA  85           HB1      ALA  85 -16.783   2.691  -3.940
  623    HB2  ALA  85           HB2      ALA  85 -15.935   1.988  -2.565
  624    HB3  ALA  85           HB3      ALA  85 -16.248   3.723  -2.613
  625    H    ALA  86           HN       ALA  86 -20.376   1.910  -2.472
  626    HA   ALA  86           HA       ALA  86 -19.765  -0.954  -2.637
  627    HB1  ALA  86           HB1      ALA  86 -22.055  -1.358  -1.893
  628    HB2  ALA  86           HB2      ALA  86 -22.358   0.378  -1.860
  629    HB3  ALA  86           HB3      ALA  86 -21.193  -0.334  -0.744
  630    H28  SXM  87          H28A      SXM  87   9.476  13.137  -1.297
  631   H28A  SXM  87          H28B      SXM  87   8.008  12.172  -1.204
  632    H30  SXM  87          H30A      SXM  87   6.288  12.660   0.381
  633   H30A  SXM  87          H30B      SXM  87   6.489  13.945   1.575
  634   H30B  SXM  87          H30C      SXM  87   7.459  12.477   1.687
  635    H31  SXM  87          H31C      SXM  87   8.603  15.360   1.545
  636   H31A  SXM  87          H31A      SXM  87   9.859  14.989   0.362
  637   H31B  SXM  87          H31B      SXM  87   9.545  13.879   1.695
  638    H32  SXM  87          H32A      SXM  87   6.569  14.301  -1.384
  639   HO33  SXM  87          H33A      SXM  87   8.998  15.744  -1.591
  640   HN36  SXM  87          H36A      SXM  87   7.445  16.906  -1.991
  641    H37  SXM  87          H37B      SXM  87   6.735  18.656   0.224
  642   H37A  SXM  87          H37A      SXM  87   5.645  18.666  -1.163
  643    H38  SXM  87          H38A      SXM  87   8.615  19.145  -1.246
  644   H38A  SXM  87          H38B      SXM  87   7.500  19.312  -2.607
  645   HN41  SXM  87          H41A      SXM  87   9.218  21.177  -2.028
  646    H42  SXM  87          H42A      SXM  87   7.825  23.557  -1.906
  647   H42A  SXM  87          H42B      SXM  87   8.488  23.265  -0.294
  648    H43  SXM  87          H43A      SXM  87  10.730  23.066  -1.260
  649   H43A  SXM  87          H43B      SXM  87   9.997  24.626  -1.679
  650    H2   SXM  87           H2A      SXM  87  11.374  23.729  -5.776
  651    H2A  SXM  87           H2B      SXM  87  13.042  24.145  -5.371
  Start of MODEL   19
    1    H1   MET   1           HT1      MET   1 -20.535  -2.707   2.385
    2    H2   MET   1           HT2      MET   1 -20.263  -1.093   2.865
    3    H3   MET   1           HT3      MET   1 -18.989  -2.080   2.472
    4    HA   MET   1           HA       MET   1 -21.074  -1.337   0.558
    5    HB2  MET   1           HB2      MET   1 -19.890   0.677   0.964
    6    HB3  MET   1           HB1      MET   1 -18.345  -0.154   1.065
    7    HG2  MET   1           HG2      MET   1 -18.563   1.131  -1.004
    8    HG3  MET   1           HG1      MET   1 -18.382  -0.591  -1.312
    9    HE1  MET   1           HE1      MET   1 -20.633   0.351  -4.290
   10    HE2  MET   1           HE2      MET   1 -19.214  -0.548  -3.752
   11    HE3  MET   1           HE3      MET   1 -19.240   1.212  -3.639
   12    H    ALA   2           HN       ALA   2 -17.666  -2.493   0.841
   13    HA   ALA   2           HA       ALA   2 -18.257  -4.465  -1.199
   14    HB1  ALA   2           HB1      ALA   2 -17.624  -2.474  -2.474
   15    HB2  ALA   2           HB2      ALA   2 -16.398  -3.730  -2.607
   16    HB3  ALA   2           HB3      ALA   2 -16.131  -2.345  -1.543
   17    H    THR   3           HN       THR   3 -16.079  -5.652  -1.633
   18    HA   THR   3           HA       THR   3 -15.117  -6.510   0.914
   19    HB   THR   3           HB       THR   3 -14.433  -7.336  -1.852
   20    HG1  THR   3           HG1      THR   3 -16.467  -7.870  -0.047
   21   HG21  THR   3          HG21      THR   3 -13.665  -9.453  -0.784
   22   HG22  THR   3          HG22      THR   3 -14.024  -8.756   0.795
   23   HG23  THR   3          HG23      THR   3 -12.750  -8.059  -0.207
   24    H    LEU   4           HN       LEU   4 -13.634  -5.421   1.841
   25    HA   LEU   4           HA       LEU   4 -11.962  -3.488   0.699
   26    HB2  LEU   4           HB2      LEU   4 -11.526  -5.016   3.265
   27    HB3  LEU   4           HB1      LEU   4 -10.857  -3.445   2.858
   28    HG   LEU   4           HG       LEU   4 -13.765  -4.071   3.293
   29   HD11  LEU   4          HD11      LEU   4 -12.557  -4.157   5.360
   30   HD12  LEU   4          HD12      LEU   4 -13.567  -2.714   5.311
   31   HD13  LEU   4          HD13      LEU   4 -11.829  -2.587   5.030
   32   HD21  LEU   4          HD21      LEU   4 -14.115  -1.623   3.210
   33   HD22  LEU   4          HD22      LEU   4 -13.529  -2.273   1.685
   34   HD23  LEU   4          HD23      LEU   4 -12.422  -1.423   2.761
   35    H    LEU   5           HN       LEU   5  -9.597  -3.553   0.581
   36    HA   LEU   5           HA       LEU   5  -8.778  -5.691  -1.067
   37    HB2  LEU   5           HB2      LEU   5  -7.095  -3.531   0.207
   38    HB3  LEU   5           HB1      LEU   5  -6.571  -4.623  -1.057
   39    HG   LEU   5           HG       LEU   5  -8.654  -2.478  -1.254
   40   HD11  LEU   5          HD11      LEU   5  -5.985  -2.863  -2.586
   41   HD12  LEU   5          HD12      LEU   5  -6.352  -1.723  -1.295
   42   HD13  LEU   5          HD13      LEU   5  -7.106  -1.530  -2.881
   43   HD21  LEU   5          HD21      LEU   5  -7.794  -4.508  -3.308
   44   HD22  LEU   5          HD22      LEU   5  -8.865  -3.137  -3.597
   45   HD23  LEU   5          HD23      LEU   5  -9.369  -4.432  -2.514
   46    H    THR   6           HN       THR   6  -7.411  -7.358  -0.712
   47    HA   THR   6           HA       THR   6  -7.171  -8.067   2.083
   48    HB   THR   6           HB       THR   6  -6.387 -10.255   1.250
   49    HG1  THR   6           HG1      THR   6  -6.786  -9.052  -1.326
   50   HG21  THR   6          HG21      THR   6  -8.797  -9.891   1.577
   51   HG22  THR   6          HG22      THR   6  -8.502 -10.975   0.218
   52   HG23  THR   6          HG23      THR   6  -8.931  -9.288  -0.077
   53    H    THR   7           HN       THR   7  -4.997  -9.307   2.560
   54    HA   THR   7           HA       THR   7  -2.936  -7.465   2.164
   55    HB   THR   7           HB       THR   7  -1.605  -9.486   3.180
   56    HG1  THR   7           HG1      THR   7  -2.938 -11.121   3.156
   57   HG21  THR   7          HG21      THR   7  -2.115  -7.393   4.367
   58   HG22  THR   7          HG22      THR   7  -2.347  -8.780   5.431
   59   HG23  THR   7          HG23      THR   7  -3.743  -7.979   4.710
   60    H    ASP   8           HN       ASP   8  -4.083 -10.063   0.311
   61    HA   ASP   8           HA       ASP   8  -1.626 -10.578  -1.067
   62    HB2  ASP   8           HB2      ASP   8  -4.476 -11.315  -1.727
   63    HB3  ASP   8           HB1      ASP   8  -3.124 -11.705  -2.781
   64    H    ASP   9           HN       ASP   9  -4.470  -8.645  -1.650
   65    HA   ASP   9           HA       ASP   9  -3.787  -7.589  -4.173
   66    HB2  ASP   9           HB2      ASP   9  -5.309  -6.277  -1.897
   67    HB3  ASP   9           HB1      ASP   9  -5.173  -5.594  -3.508
   68    H    LEU  10           HN       LEU  10  -3.251  -6.438  -0.931
   69    HA   LEU  10           HA       LEU  10  -1.747  -4.177  -1.547
   70    HB2  LEU  10           HB2      LEU  10  -2.840  -4.595   0.611
   71    HB3  LEU  10           HB1      LEU  10  -1.712  -5.891   0.931
   72    HG   LEU  10           HG       LEU  10   0.128  -4.272   1.072
   73   HD11  LEU  10          HD11      LEU  10  -0.335  -1.869   1.060
   74   HD12  LEU  10          HD12      LEU  10  -2.018  -2.195   0.641
   75   HD13  LEU  10          HD13      LEU  10  -0.734  -2.598  -0.498
   76   HD21  LEU  10          HD21      LEU  10  -2.266  -3.559   2.749
   77   HD22  LEU  10          HD22      LEU  10  -0.587  -3.180   3.141
   78   HD23  LEU  10          HD23      LEU  10  -1.124  -4.862   3.079
   79    H    ARG  11           HN       ARG  11  -0.667  -7.479  -0.639
   80    HA   ARG  11           HA       ARG  11   2.034  -7.062  -0.606
   81    HB2  ARG  11           HB2      ARG  11   1.289  -9.153   0.189
   82    HB3  ARG  11           HB1      ARG  11   0.486  -9.542  -1.327
   83    HG2  ARG  11           HG2      ARG  11   2.571  -9.914  -2.424
   84    HG3  ARG  11           HG1      ARG  11   3.469  -9.252  -1.062
   85    HD2  ARG  11           HD2      ARG  11   3.578 -11.695  -1.183
   86    HD3  ARG  11           HD1      ARG  11   2.856 -11.122   0.309
   87    HE   ARG  11           HE       ARG  11   0.794 -11.675  -1.494
   88   HH11  ARG  11          HH11      ARG  11   3.460 -13.489  -0.084
   89   HH12  ARG  11          HH12      ARG  11   2.553 -14.850   0.363
   90   HH21  ARG  11          HH21      ARG  11  -0.567 -13.622  -0.910
   91   HH22  ARG  11          HH22      ARG  11   0.211 -14.928  -0.179
   92    H    ARG  12           HN       ARG  12   0.286  -8.252  -3.497
   93    HA   ARG  12           HA       ARG  12   2.776  -8.121  -4.884
   94    HB2  ARG  12           HB2      ARG  12   0.035  -8.735  -5.980
   95    HB3  ARG  12           HB1      ARG  12   1.516  -8.793  -6.931
   96    HG2  ARG  12           HG2      ARG  12   0.901 -10.497  -4.511
   97    HG3  ARG  12           HG1      ARG  12   0.860 -11.019  -6.195
   98    HD2  ARG  12           HD2      ARG  12   3.239 -10.699  -6.412
   99    HD3  ARG  12           HD1      ARG  12   3.352  -9.972  -4.816
  100    HE   ARG  12           HE       ARG  12   2.331 -12.665  -4.875
  101   HH11  ARG  12          HH11      ARG  12   5.276 -10.699  -4.765
  102   HH12  ARG  12          HH12      ARG  12   6.162 -11.794  -3.798
  103   HH21  ARG  12          HH21      ARG  12   3.594 -14.243  -3.600
  104   HH22  ARG  12          HH22      ARG  12   5.177 -13.871  -3.153
  105    H    ALA  13           HN       ALA  13   0.240  -5.860  -4.514
  106    HA   ALA  13           HA       ALA  13   1.130  -4.228  -6.670
  107    HB1  ALA  13           HB1      ALA  13  -0.204  -2.461  -5.612
  108    HB2  ALA  13           HB2      ALA  13  -0.388  -3.462  -4.172
  109    HB3  ALA  13           HB3      ALA  13  -1.113  -3.970  -5.696
  110    H    LEU  14           HN       LEU  14   1.864  -4.507  -3.255
  111    HA   LEU  14           HA       LEU  14   3.476  -2.222  -2.928
  112    HB2  LEU  14           HB2      LEU  14   2.343  -3.519  -1.144
  113    HB3  LEU  14           HB1      LEU  14   3.469  -4.824  -1.407
  114    HG   LEU  14           HG       LEU  14   5.312  -3.322  -0.678
  115   HD11  LEU  14          HD11      LEU  14   4.270  -1.199  -1.264
  116   HD12  LEU  14          HD12      LEU  14   4.725  -1.233   0.440
  117   HD13  LEU  14          HD13      LEU  14   3.040  -1.451  -0.026
  118   HD21  LEU  14          HD21      LEU  14   4.724  -3.394   1.688
  119   HD22  LEU  14          HD22      LEU  14   4.200  -4.869   0.877
  120   HD23  LEU  14          HD23      LEU  14   3.027  -3.614   1.271
  121    H    VAL  15           HN       VAL  15   4.243  -5.610  -3.424
  122    HA   VAL  15           HA       VAL  15   7.041  -5.447  -3.352
  123    HB   VAL  15           HB       VAL  15   5.316  -7.431  -4.897
  124   HG11  VAL  15          HG11      VAL  15   7.623  -7.436  -5.687
  125   HG12  VAL  15          HG12      VAL  15   7.255  -8.915  -4.797
  126   HG13  VAL  15          HG13      VAL  15   8.193  -7.631  -4.031
  127   HG21  VAL  15          HG21      VAL  15   6.540  -7.615  -2.147
  128   HG22  VAL  15          HG22      VAL  15   5.656  -8.902  -2.970
  129   HG23  VAL  15          HG23      VAL  15   4.826  -7.418  -2.507
  130    H    GLU  16           HN       GLU  16   5.030  -5.667  -6.313
  131    HA   GLU  16           HA       GLU  16   7.194  -5.282  -8.058
  132    HB2  GLU  16           HB2      GLU  16   4.276  -4.786  -8.562
  133    HB3  GLU  16           HB1      GLU  16   5.518  -4.904  -9.797
  134    HG2  GLU  16           HG2      GLU  16   5.975  -7.217  -9.025
  135    HG3  GLU  16           HG1      GLU  16   4.598  -7.065  -7.934
  136    H    SER  17           HN       SER  17   5.403  -2.922  -6.296
  137    HA   SER  17           HA       SER  17   6.137  -0.843  -8.145
  138    HB2  SER  17           HB2      SER  17   4.664  -0.657  -5.524
  139    HB3  SER  17           HB1      SER  17   4.894   0.658  -6.681
  140    HG   SER  17           HG       SER  17   3.271  -1.561  -6.759
  141    H    ALA  18           HN       ALA  18   7.800  -2.451  -5.765
  142    HA   ALA  18           HA       ALA  18   9.068  -0.384  -4.356
  143    HB1  ALA  18           HB1      ALA  18  10.856  -2.009  -3.895
  144    HB2  ALA  18           HB2      ALA  18  10.216  -3.068  -5.151
  145    HB3  ALA  18           HB3      ALA  18   9.268  -2.748  -3.699
  146    H    GLY  19           HN       GLY  19  10.132  -2.077  -7.298
  147    HA2  GLY  19           HA2      GLY  19  10.654   0.189  -8.772
  148    HA3  GLY  19           HA1      GLY  19  12.091   0.007  -7.787
  149    H    GLU  20           HN       GLU  20  12.638  -2.544  -7.850
  150    HA   GLU  20           HA       GLU  20  13.746  -2.881 -10.493
  151    HB2  GLU  20           HB2      GLU  20  13.837  -4.668  -8.066
  152    HB3  GLU  20           HB1      GLU  20  14.885  -4.768  -9.472
  153    HG2  GLU  20           HG2      GLU  20  15.891  -2.660  -8.947
  154    HG3  GLU  20           HG1      GLU  20  14.745  -2.398  -7.628
  155    H    THR  21           HN       THR  21  13.787  -5.677 -10.760
  156    HA   THR  21           HA       THR  21  11.308  -6.519 -11.781
  157    HB   THR  21           HB       THR  21  13.472  -8.272 -10.570
  158    HG1  THR  21           HG1      THR  21  13.418  -6.928 -13.087
  159   HG21  THR  21          HG21      THR  21  11.670  -8.637 -12.973
  160   HG22  THR  21          HG22      THR  21  11.458  -9.414 -11.405
  161   HG23  THR  21          HG23      THR  21  12.865  -9.799 -12.397
  162    H    ASP  22           HN       ASP  22   9.702  -6.121 -10.232
  163    HA   ASP  22           HA       ASP  22   8.446  -6.198  -8.408
  164    HB2  ASP  22           HB2      ASP  22  10.140  -8.634  -7.760
  165    HB3  ASP  22           HB1      ASP  22   9.014  -7.993  -6.578
  166    H    GLY  23           HN       GLY  23  11.334  -7.215  -6.704
  167    HA2  GLY  23           HA2      GLY  23  12.886  -5.300  -6.151
  168    HA3  GLY  23           HA1      GLY  23  11.425  -4.506  -5.576
  169    H    THR  24           HN       THR  24  10.453  -5.238  -3.695
  170    HA   THR  24           HA       THR  24  12.108  -6.977  -2.003
  171    HB   THR  24           HB       THR  24  10.325  -4.654  -1.257
  172    HG1  THR  24           HG1      THR  24  13.089  -4.869  -1.797
  173   HG21  THR  24          HG21      THR  24  12.334  -6.223   0.385
  174   HG22  THR  24          HG22      THR  24  10.579  -6.311   0.541
  175   HG23  THR  24          HG23      THR  24  11.425  -4.821   0.955
  176    H    ASP  25           HN       ASP  25  10.985  -8.847  -1.538
  177    HA   ASP  25           HA       ASP  25   8.149  -8.991  -2.126
  178    HB2  ASP  25           HB2      ASP  25   9.672 -10.827  -2.826
  179    HB3  ASP  25           HB1      ASP  25  10.056 -11.131  -1.139
  180    H    LEU  26           HN       LEU  26   6.567  -9.357  -0.621
  181    HA   LEU  26           HA       LEU  26   7.332  -9.208   2.191
  182    HB2  LEU  26           HB2      LEU  26   5.165  -7.621   0.807
  183    HB3  LEU  26           HB1      LEU  26   5.160  -7.890   2.528
  184    HG   LEU  26           HG       LEU  26   5.943  -5.727   2.206
  185   HD11  LEU  26          HD11      LEU  26   8.207  -5.724   3.072
  186   HD12  LEU  26          HD12      LEU  26   8.333  -7.446   2.709
  187   HD13  LEU  26          HD13      LEU  26   7.152  -6.876   3.889
  188   HD21  LEU  26          HD21      LEU  26   7.915  -6.765   0.179
  189   HD22  LEU  26          HD22      LEU  26   7.827  -5.105   0.764
  190   HD23  LEU  26          HD23      LEU  26   6.484  -5.787  -0.151
  191    H    SER  27           HN       SER  27   7.065 -11.471   2.082
  192    HA   SER  27           HA       SER  27   4.242 -12.280   2.117
  193    HB2  SER  27           HB2      SER  27   6.641 -13.957   1.392
  194    HB3  SER  27           HB1      SER  27   4.963 -14.528   1.440
  195    HG   SER  27           HG       SER  27   6.266 -12.829  -0.331
  196    H    GLY  28           HN       GLY  28   3.889 -14.299   3.542
  197    HA2  GLY  28           HA2      GLY  28   4.339 -15.431   5.550
  198    HA3  GLY  28           HA1      GLY  28   5.597 -14.239   5.914
  199    H    ASP  29           HN       ASP  29   5.072 -12.273   6.683
  200    HA   ASP  29           HA       ASP  29   2.367 -11.365   6.836
  201    HB2  ASP  29           HB2      ASP  29   2.499 -12.707   8.940
  202    HB3  ASP  29           HB1      ASP  29   3.918 -11.777   9.421
  203    H    PHE  30           HN       PHE  30   2.444  -9.266   6.470
  204    HA   PHE  30           HA       PHE  30   5.032  -7.915   6.907
  205    HB2  PHE  30           HB2      PHE  30   5.018  -7.024   4.673
  206    HB3  PHE  30           HB1      PHE  30   4.936  -8.780   4.602
  207    HD1  PHE  30           HD2      PHE  30   2.683  -9.862   4.131
  208    HD2  PHE  30           HD1      PHE  30   3.373  -5.687   3.663
  209    HE1  PHE  30           HE2      PHE  30   0.673  -9.687   2.729
  210    HE2  PHE  30           HE1      PHE  30   1.363  -5.510   2.264
  211    HZ   PHE  30           HZ       PHE  30   0.016  -7.507   1.795
  212    H    LEU  31           HN       LEU  31   1.714  -7.793   7.430
  213    HA   LEU  31           HA       LEU  31   1.023  -5.298   6.527
  214    HB2  LEU  31           HB2      LEU  31  -0.459  -7.170   6.952
  215    HB3  LEU  31           HB1      LEU  31  -0.097  -7.089   8.660
  216    HG   LEU  31           HG       LEU  31  -1.034  -4.942   8.763
  217   HD11  LEU  31          HD11      LEU  31  -1.873  -5.437   5.875
  218   HD12  LEU  31          HD12      LEU  31  -0.767  -4.181   6.432
  219   HD13  LEU  31          HD13      LEU  31  -2.477  -4.102   6.856
  220   HD21  LEU  31          HD21      LEU  31  -2.399  -6.829   9.332
  221   HD22  LEU  31          HD22      LEU  31  -2.866  -7.052   7.645
  222   HD23  LEU  31          HD23      LEU  31  -3.415  -5.630   8.534
  223    H    ASP  32           HN       ASP  32   2.869  -6.260   9.287
  224    HA   ASP  32           HA       ASP  32   2.463  -3.635  10.542
  225    HB2  ASP  32           HB2      ASP  32   1.890  -5.503  12.001
  226    HB3  ASP  32           HB1      ASP  32   3.443  -6.262  11.697
  227    H    LEU  33           HN       LEU  33   4.497  -5.062   8.422
  228    HA   LEU  33           HA       LEU  33   7.015  -4.286   9.608
  229    HB2  LEU  33           HB2      LEU  33   6.398  -5.266   6.820
  230    HB3  LEU  33           HB1      LEU  33   8.009  -4.950   7.432
  231    HG   LEU  33           HG       LEU  33   6.103  -7.088   8.372
  232   HD11  LEU  33          HD11      LEU  33   7.813  -8.613   7.516
  233   HD12  LEU  33          HD12      LEU  33   8.755  -7.233   6.954
  234   HD13  LEU  33          HD13      LEU  33   7.174  -7.565   6.246
  235   HD21  LEU  33          HD21      LEU  33   7.361  -6.197  10.264
  236   HD22  LEU  33          HD22      LEU  33   8.870  -6.409   9.378
  237   HD23  LEU  33          HD23      LEU  33   7.918  -7.819   9.850
  238    H    ARG  34           HN       ARG  34   7.821  -2.382   9.576
  239    HA   ARG  34           HA       ARG  34   6.481  -0.225   8.310
  240    HB2  ARG  34           HB2      ARG  34   9.097  -0.278   9.810
  241    HB3  ARG  34           HB1      ARG  34   8.336   1.181   9.212
  242    HG2  ARG  34           HG2      ARG  34   7.848   1.035  11.544
  243    HG3  ARG  34           HG1      ARG  34   6.383   0.656  10.664
  244    HD2  ARG  34           HD2      ARG  34   6.802  -0.829  12.617
  245    HD3  ARG  34           HD1      ARG  34   6.629  -1.675  11.081
  246    HE   ARG  34           HE       ARG  34   9.340  -1.022  11.874
  247   HH11  ARG  34          HH11      ARG  34   6.765  -3.475  11.829
  248   HH12  ARG  34          HH12      ARG  34   7.815  -4.770  12.159
  249   HH21  ARG  34          HH21      ARG  34  10.804  -2.897  12.238
  250   HH22  ARG  34          HH22      ARG  34  10.105  -4.446  12.287
  251    H    PHE  35           HN       PHE  35   7.024   0.995   6.636
  252    HA   PHE  35           HA       PHE  35   8.659  -0.117   4.598
  253    HB2  PHE  35           HB2      PHE  35   7.321   2.589   4.786
  254    HB3  PHE  35           HB1      PHE  35   8.102   1.954   3.338
  255    HD1  PHE  35           HD2      PHE  35   7.294  -0.535   2.774
  256    HD2  PHE  35           HD1      PHE  35   5.037   2.374   4.870
  257    HE1  PHE  35           HE2      PHE  35   5.236  -1.701   2.170
  258    HE2  PHE  35           HE1      PHE  35   2.974   1.211   4.281
  259    HZ   PHE  35           HZ       PHE  35   3.064  -0.835   2.925
  260    H    GLU  36           HN       GLU  36   9.075   2.302   7.025
  261    HA   GLU  36           HA       GLU  36  11.468   3.496   6.259
  262    HB2  GLU  36           HB2      GLU  36  10.020   4.166   8.141
  263    HB3  GLU  36           HB1      GLU  36  10.493   2.722   9.007
  264    HG2  GLU  36           HG2      GLU  36  12.746   3.533   9.185
  265    HG3  GLU  36           HG1      GLU  36  12.337   4.963   8.227
  266    H    ASP  37           HN       ASP  37  10.783   0.384   7.695
  267    HA   ASP  37           HA       ASP  37  13.558  -0.214   8.231
  268    HB2  ASP  37           HB2      ASP  37  11.991  -1.114   9.798
  269    HB3  ASP  37           HB1      ASP  37  11.061  -1.882   8.512
  270    H    ILE  38           HN       ILE  38  11.052  -1.406   6.030
  271    HA   ILE  38           HA       ILE  38  12.916  -3.207   4.815
  272    HB   ILE  38           HB       ILE  38  11.073  -3.824   3.245
  273   HG12  ILE  38          HG12      ILE  38   9.498  -1.831   4.908
  274   HG13  ILE  38          HG11      ILE  38   9.881  -1.680   3.201
  275   HG21  ILE  38          HG21      ILE  38  11.443  -5.041   5.308
  276   HG22  ILE  38          HG22      ILE  38   9.711  -4.923   4.982
  277   HG23  ILE  38          HG23      ILE  38  10.456  -3.877   6.195
  278   HD11  ILE  38          HD11      ILE  38   7.578  -2.370   3.544
  279   HD12  ILE  38          HD12      ILE  38   8.123  -3.785   4.437
  280   HD13  ILE  38          HD13      ILE  38   8.491  -3.634   2.718
  281    H    GLY  39           HN       GLY  39  13.171  -0.228   4.529
  282    HA2  GLY  39           HA2      GLY  39  14.354   1.101   3.068
  283    HA3  GLY  39           HA1      GLY  39  14.637  -0.345   2.120
  284    H    TYR  40           HN       TYR  40  11.549   1.218   2.861
  285    HA   TYR  40           HA       TYR  40  11.108   1.419  -0.011
  286    HB2  TYR  40           HB2      TYR  40   9.323   1.202   2.328
  287    HB3  TYR  40           HB1      TYR  40   8.760   2.207   1.002
  288    HD1  TYR  40           HD1      TYR  40  10.479  -1.101   1.304
  289    HD2  TYR  40           HD2      TYR  40   7.282   1.153  -0.361
  290    HE1  TYR  40           HE1      TYR  40   9.689  -3.099   0.150
  291    HE2  TYR  40           HE2      TYR  40   6.487  -0.836  -1.553
  292    HH   TYR  40           HH       TYR  40   7.236  -2.980  -2.298
  293    H    ASP  41           HN       ASP  41  11.071   3.214  -1.048
  294    HA   ASP  41           HA       ASP  41  11.308   5.756   0.338
  295    HB2  ASP  41           HB2      ASP  41  11.200   5.041  -2.613
  296    HB3  ASP  41           HB1      ASP  41  11.349   6.681  -2.003
  297    H    SER  42           HN       SER  42   9.749   7.427  -0.050
  298    HA   SER  42           HA       SER  42   7.088   6.619   0.218
  299    HB2  SER  42           HB2      SER  42   7.885   9.273  -0.927
  300    HB3  SER  42           HB1      SER  42   6.501   8.891   0.097
  301    H    LEU  43           HN       LEU  43   8.962   7.586  -2.608
  302    HA   LEU  43           HA       LEU  43   6.903   7.728  -4.473
  303    HB2  LEU  43           HB2      LEU  43   9.079   8.521  -5.052
  304    HB3  LEU  43           HB1      LEU  43   9.781   6.933  -4.841
  305    HG   LEU  43           HG       LEU  43   8.662   6.123  -6.842
  306   HD11  LEU  43          HD11      LEU  43   7.404   7.634  -8.300
  307   HD12  LEU  43          HD12      LEU  43   7.467   8.894  -7.062
  308   HD13  LEU  43          HD13      LEU  43   6.610   7.376  -6.756
  309   HD21  LEU  43          HD21      LEU  43  10.831   7.181  -7.092
  310   HD22  LEU  43          HD22      LEU  43  10.059   8.755  -7.282
  311   HD23  LEU  43          HD23      LEU  43   9.820   7.503  -8.500
  312    H    ALA  44           HN       ALA  44   8.805   4.840  -3.579
  313    HA   ALA  44           HA       ALA  44   7.489   3.097  -5.385
  314    HB1  ALA  44           HB1      ALA  44   8.450   1.289  -4.051
  315    HB2  ALA  44           HB2      ALA  44   8.847   2.433  -2.765
  316    HB3  ALA  44           HB3      ALA  44   9.644   2.552  -4.334
  317    H    LEU  45           HN       LEU  45   6.871   4.127  -2.170
  318    HA   LEU  45           HA       LEU  45   4.783   2.353  -1.509
  319    HB2  LEU  45           HB2      LEU  45   6.147   3.518   0.104
  320    HB3  LEU  45           HB1      LEU  45   5.590   5.061  -0.482
  321    HG   LEU  45           HG       LEU  45   3.386   4.647   0.443
  322   HD11  LEU  45          HD11      LEU  45   4.552   2.005   1.333
  323   HD12  LEU  45          HD12      LEU  45   3.323   2.214   0.084
  324   HD13  LEU  45          HD13      LEU  45   2.961   2.634   1.761
  325   HD21  LEU  45          HD21      LEU  45   4.041   4.626   2.793
  326   HD22  LEU  45          HD22      LEU  45   5.118   5.638   1.834
  327   HD23  LEU  45          HD23      LEU  45   5.637   4.031   2.343
  328    H    MET  46           HN       MET  46   4.801   5.707  -2.709
  329    HA   MET  46           HA       MET  46   2.043   6.145  -2.966
  330    HB2  MET  46           HB2      MET  46   4.355   7.216  -4.584
  331    HB3  MET  46           HB1      MET  46   2.706   7.817  -4.701
  332    HG2  MET  46           HG2      MET  46   2.750   8.460  -2.422
  333    HG3  MET  46           HG1      MET  46   4.364   7.794  -2.226
  334    HE1  MET  46           HE1      MET  46   3.442  10.867  -1.522
  335    HE2  MET  46           HE2      MET  46   4.901  11.721  -2.030
  336    HE3  MET  46           HE3      MET  46   5.031  10.196  -1.156
  337    H    GLU  47           HN       GLU  47   4.411   4.860  -5.163
  338    HA   GLU  47           HA       GLU  47   2.790   4.509  -7.407
  339    HB2  GLU  47           HB2      GLU  47   5.214   4.589  -7.240
  340    HB3  GLU  47           HB1      GLU  47   5.229   3.025  -6.474
  341    HG2  GLU  47           HG2      GLU  47   5.826   2.858  -8.849
  342    HG3  GLU  47           HG1      GLU  47   4.391   1.936  -8.418
  343    H    THR  48           HN       THR  48   3.507   2.424  -4.661
  344    HA   THR  48           HA       THR  48   2.111   0.100  -5.382
  345    HB   THR  48           HB       THR  48   2.534   1.407  -2.685
  346    HG1  THR  48           HG1      THR  48   4.477   0.767  -3.693
  347   HG21  THR  48          HG21      THR  48   1.632  -1.413  -3.303
  348   HG22  THR  48          HG22      THR  48   0.649  -0.152  -2.556
  349   HG23  THR  48          HG23      THR  48   2.050  -0.802  -1.704
  350    H    ALA  49           HN       ALA  49   1.084   2.828  -3.350
  351    HA   ALA  49           HA       ALA  49  -1.562   2.122  -3.002
  352    HB1  ALA  49           HB1      ALA  49  -0.387   4.899  -3.071
  353    HB2  ALA  49           HB2      ALA  49  -0.410   3.826  -1.673
  354    HB3  ALA  49           HB3      ALA  49  -1.924   4.440  -2.340
  355    H    ALA  50           HN       ALA  50  -0.087   4.160  -5.485
  356    HA   ALA  50           HA       ALA  50  -2.370   5.138  -6.710
  357    HB1  ALA  50           HB1      ALA  50   0.267   4.529  -8.030
  358    HB2  ALA  50           HB2      ALA  50  -0.109   5.986  -7.111
  359    HB3  ALA  50           HB3      ALA  50  -0.967   5.645  -8.617
  360    H    ARG  51           HN       ARG  51  -0.716   2.110  -7.244
  361    HA   ARG  51           HA       ARG  51  -2.126   1.289  -9.552
  362    HB2  ARG  51           HB2      ARG  51  -0.018   0.248  -8.669
  363    HB3  ARG  51           HB1      ARG  51  -0.962  -0.444  -7.359
  364    HG2  ARG  51           HG2      ARG  51  -2.239  -1.754  -8.954
  365    HG3  ARG  51           HG1      ARG  51  -1.341  -1.028 -10.287
  366    HD2  ARG  51           HD2      ARG  51  -0.192  -2.742  -8.085
  367    HD3  ARG  51           HD1      ARG  51  -0.458  -3.234  -9.756
  368    HE   ARG  51           HE       ARG  51   1.334  -0.964  -9.239
  369   HH11  ARG  51          HH11      ARG  51   0.943  -4.281 -10.356
  370   HH12  ARG  51          HH12      ARG  51   2.534  -4.437 -10.941
  371   HH21  ARG  51          HH21      ARG  51   3.529  -1.162  -9.984
  372   HH22  ARG  51          HH22      ARG  51   4.050  -2.606 -10.707
  373    H    LEU  52           HN       LEU  52  -2.593   0.668  -6.118
  374    HA   LEU  52           HA       LEU  52  -4.967  -0.851  -6.321
  375    HB2  LEU  52           HB2      LEU  52  -3.902   0.794  -4.032
  376    HB3  LEU  52           HB1      LEU  52  -5.210  -0.363  -3.911
  377    HG   LEU  52           HG       LEU  52  -2.359  -1.055  -4.635
  378   HD11  LEU  52          HD11      LEU  52  -3.875  -1.436  -2.062
  379   HD12  LEU  52          HD12      LEU  52  -2.543  -0.312  -2.324
  380   HD13  LEU  52          HD13      LEU  52  -2.260  -2.053  -2.406
  381   HD21  LEU  52          HD21      LEU  52  -3.099  -3.371  -4.305
  382   HD22  LEU  52          HD22      LEU  52  -3.993  -2.590  -5.607
  383   HD23  LEU  52          HD23      LEU  52  -4.744  -2.805  -4.025
  384    H    GLU  53           HN       GLU  53  -4.344   2.586  -5.809
  385    HA   GLU  53           HA       GLU  53  -6.975   3.459  -5.350
  386    HB2  GLU  53           HB2      GLU  53  -4.912   5.093  -6.858
  387    HB3  GLU  53           HB1      GLU  53  -6.363   5.565  -5.974
  388    HG2  GLU  53           HG2      GLU  53  -5.396   5.146  -3.902
  389    HG3  GLU  53           HG1      GLU  53  -3.958   4.422  -4.645
  390    H    SER  54           HN       SER  54  -5.143   3.387  -8.362
  391    HA   SER  54           HA       SER  54  -7.217   4.347  -9.949
  392    HB2  SER  54           HB2      SER  54  -4.836   2.668 -10.711
  393    HB3  SER  54           HB1      SER  54  -5.838   3.609 -11.822
  394    HG   SER  54           HG       SER  54  -3.923   4.434 -10.007
  395    H    ARG  55           HN       ARG  55  -6.126   0.998  -9.371
  396    HA   ARG  55           HA       ARG  55  -7.998  -0.122 -11.133
  397    HB2  ARG  55           HB2      ARG  55  -6.018  -1.346 -10.564
  398    HB3  ARG  55           HB1      ARG  55  -6.458  -1.359  -8.861
  399    HG2  ARG  55           HG2      ARG  55  -8.376  -2.762  -9.347
  400    HG3  ARG  55           HG1      ARG  55  -7.983  -2.720 -11.066
  401    HD2  ARG  55           HD2      ARG  55  -5.942  -3.892 -10.686
  402    HD3  ARG  55           HD1      ARG  55  -6.144  -3.770  -8.936
  403    HE   ARG  55           HE       ARG  55  -8.353  -5.051  -9.600
  404   HH11  ARG  55          HH11      ARG  55  -5.111  -5.600 -10.825
  405   HH12  ARG  55          HH12      ARG  55  -5.226  -7.291 -10.869
  406   HH21  ARG  55          HH21      ARG  55  -8.571  -7.377  -9.587
  407   HH22  ARG  55          HH22      ARG  55  -7.308  -8.338 -10.193
  408    H    TYR  56           HN       TYR  56  -8.166   0.387  -7.604
  409    HA   TYR  56           HA       TYR  56 -10.793  -0.859  -7.679
  410    HB2  TYR  56           HB2      TYR  56  -8.966  -0.257  -5.372
  411    HB3  TYR  56           HB1      TYR  56 -10.620  -0.843  -5.173
  412    HD1  TYR  56           HD1      TYR  56 -11.252  -3.044  -6.109
  413    HD2  TYR  56           HD2      TYR  56  -7.201  -1.755  -5.978
  414    HE1  TYR  56           HE1      TYR  56 -10.521  -5.353  -6.442
  415    HE2  TYR  56           HE2      TYR  56  -6.452  -4.082  -6.311
  416    HH   TYR  56           HH       TYR  56  -7.452  -6.413  -5.859
  417    H    GLY  57           HN       GLY  57  -9.737   2.139  -8.065
  418    HA2  GLY  57           HA2      GLY  57 -10.977   4.057  -8.285
  419    HA3  GLY  57           HA1      GLY  57 -12.379   3.151  -7.751
  420    H    VAL  58           HN       VAL  58  -9.352   3.783  -6.034
  421    HA   VAL  58           HA       VAL  58 -10.970   5.291  -4.132
  422    HB   VAL  58           HB       VAL  58  -9.661   4.520  -2.204
  423   HG11  VAL  58          HG11      VAL  58 -11.668   3.307  -2.785
  424   HG12  VAL  58          HG12      VAL  58 -10.440   2.219  -2.107
  425   HG13  VAL  58          HG13      VAL  58 -10.713   2.266  -3.849
  426   HG21  VAL  58          HG21      VAL  58  -8.305   2.621  -4.103
  427   HG22  VAL  58          HG22      VAL  58  -8.099   2.683  -2.352
  428   HG23  VAL  58          HG23      VAL  58  -7.541   4.032  -3.342
  429    H    SER  59           HN       SER  59  -9.377   6.552  -2.543
  430    HA   SER  59           HA       SER  59  -7.325   7.782  -4.223
  431    HB2  SER  59           HB2      SER  59  -9.376   9.249  -2.566
  432    HB3  SER  59           HB1      SER  59  -8.098   9.979  -3.538
  433    HG   SER  59           HG       SER  59  -9.030   9.064  -5.353
  434    H    ILE  60           HN       ILE  60  -5.471   7.804  -3.185
  435    HA   ILE  60           HA       ILE  60  -5.427   8.076  -0.264
  436    HB   ILE  60           HB       ILE  60  -3.310   6.877  -2.098
  437   HG12  ILE  60          HG12      ILE  60  -5.188   5.335  -1.928
  438   HG13  ILE  60          HG11      ILE  60  -3.821   4.709  -1.016
  439   HG21  ILE  60          HG21      ILE  60  -2.318   7.956  -0.167
  440   HG22  ILE  60          HG22      ILE  60  -2.156   6.204  -0.033
  441   HG23  ILE  60          HG23      ILE  60  -3.379   7.049   0.913
  442   HD11  ILE  60          HD11      ILE  60  -6.228   6.101   0.133
  443   HD12  ILE  60          HD12      ILE  60  -4.861   5.477   1.054
  444   HD13  ILE  60          HD13      ILE  60  -5.910   4.365   0.170
  445    HA   PRO  61           HA       PRO  61  -4.065  12.142  -1.732
  446    HB2  PRO  61           HB2      PRO  61  -3.607  12.444   1.199
  447    HB3  PRO  61           HB1      PRO  61  -4.466  13.506   0.077
  448    HG2  PRO  61           HG2      PRO  61  -5.815  11.976   1.784
  449    HG3  PRO  61           HG1      PRO  61  -6.396  12.217   0.122
  450    HD2  PRO  61           HD2      PRO  61  -5.001   9.865   1.325
  451    HD3  PRO  61           HD1      PRO  61  -6.331   9.905   0.147
  452    H    ASP  62           HN       ASP  62  -2.152  12.695  -2.356
  453    HA   ASP  62           HA       ASP  62   0.187  11.311  -2.294
  454    HB2  ASP  62           HB2      ASP  62  -0.126  13.126  -3.821
  455    HB3  ASP  62           HB1      ASP  62  -0.195  14.292  -2.507
  456    H    ASP  63           HN       ASP  63  -0.580  13.957  -0.093
  457    HA   ASP  63           HA       ASP  63   1.799  14.038   1.405
  458    HB2  ASP  63           HB2      ASP  63  -1.035  14.714   2.185
  459    HB3  ASP  63           HB1      ASP  63   0.315  14.912   3.288
  460    H    VAL  64           HN       VAL  64  -1.042  12.068   1.755
  461    HA   VAL  64           HA       VAL  64  -0.187  10.925   4.261
  462    HB   VAL  64           HB       VAL  64  -2.477  10.088   2.496
  463   HG11  VAL  64          HG11      VAL  64  -3.444   9.191   4.592
  464   HG12  VAL  64          HG12      VAL  64  -1.978   9.670   5.452
  465   HG13  VAL  64          HG13      VAL  64  -1.901   8.438   4.192
  466   HG21  VAL  64          HG21      VAL  64  -2.488  12.098   4.751
  467   HG22  VAL  64          HG22      VAL  64  -3.923  11.497   3.919
  468   HG23  VAL  64          HG23      VAL  64  -2.724  12.443   3.037
  469    H    ALA  65           HN       ALA  65  -0.223  10.119   0.865
  470    HA   ALA  65           HA       ALA  65   0.350   7.372   1.042
  471    HB1  ALA  65           HB1      ALA  65   1.073   7.562  -1.290
  472    HB2  ALA  65           HB2      ALA  65   1.091   9.321  -1.144
  473    HB3  ALA  65           HB3      ALA  65  -0.433   8.439  -1.020
  474    H    GLY  66           HN       GLY  66   2.334  10.206   1.246
  475    HA2  GLY  66           HA2      GLY  66   4.736   8.538   1.531
  476    HA3  GLY  66           HA1      GLY  66   4.721  10.289   1.323
  477    H    ARG  67           HN       ARG  67   2.503   8.777   3.479
  478    HA   ARG  67           HA       ARG  67   4.108   9.543   5.815
  479    HB2  ARG  67           HB2      ARG  67   2.522  11.372   5.262
  480    HB3  ARG  67           HB1      ARG  67   1.201  10.227   5.314
  481    HG2  ARG  67           HG2      ARG  67   1.606   9.908   7.725
  482    HG3  ARG  67           HG1      ARG  67   2.890  11.116   7.643
  483    HD2  ARG  67           HD2      ARG  67   1.328  12.825   7.014
  484    HD3  ARG  67           HD1      ARG  67   0.036  11.640   6.832
  485    HE   ARG  67           HE       ARG  67   1.096  11.586   9.461
  486   HH11  ARG  67          HH11      ARG  67  -0.909  13.794   7.470
  487   HH12  ARG  67          HH12      ARG  67  -1.902  14.185   8.802
  488   HH21  ARG  67          HH21      ARG  67  -0.247  12.240  11.182
  489   HH22  ARG  67          HH22      ARG  67  -1.555  13.340  10.879
  490    H    VAL  68           HN       VAL  68   2.741   7.054   4.261
  491    HA   VAL  68           HA       VAL  68   1.587   5.808   6.635
  492    HB   VAL  68           HB       VAL  68   0.852   3.954   5.046
  493   HG11  VAL  68          HG11      VAL  68  -0.145   6.728   4.484
  494   HG12  VAL  68          HG12      VAL  68  -0.670   5.666   5.788
  495   HG13  VAL  68          HG13      VAL  68  -1.001   5.234   4.112
  496   HG21  VAL  68          HG21      VAL  68   2.392   4.326   3.178
  497   HG22  VAL  68          HG22      VAL  68   1.718   5.931   2.915
  498   HG23  VAL  68          HG23      VAL  68   0.729   4.500   2.625
  499    H    ASP  69           HN       ASP  69   3.368   5.181   7.853
  500    HA   ASP  69           HA       ASP  69   5.662   4.026   6.528
  501    HB2  ASP  69           HB2      ASP  69   5.895   5.479   8.576
  502    HB3  ASP  69           HB1      ASP  69   5.161   4.194   9.506
  503    H    THR  70           HN       THR  70   2.813   2.822   7.986
  504    HA   THR  70           HA       THR  70   3.964   0.139   7.695
  505    HB   THR  70           HB       THR  70   2.313  -0.648   9.393
  506    HG1  THR  70           HG1      THR  70   1.735   2.146   9.540
  507   HG21  THR  70          HG21      THR  70   4.099   1.612  10.268
  508   HG22  THR  70          HG22      THR  70   4.550  -0.095  10.120
  509   HG23  THR  70          HG23      THR  70   3.389   0.411  11.350
  510    HA   PRO  71           HA       PRO  71   1.026  -0.716   4.444
  511    HB2  PRO  71           HB2      PRO  71   0.837  -3.434   5.654
  512    HB3  PRO  71           HB1      PRO  71   1.256  -2.968   3.999
  513    HG2  PRO  71           HG2      PRO  71   3.131  -3.820   5.662
  514    HG3  PRO  71           HG1      PRO  71   3.449  -2.463   4.560
  515    HD2  PRO  71           HD2      PRO  71   2.838  -2.428   7.484
  516    HD3  PRO  71           HD1      PRO  71   4.020  -1.471   6.569
  517    H    ARG  72           HN       ARG  72   0.412  -1.620   7.720
  518    HA   ARG  72           HA       ARG  72  -2.269  -2.203   7.902
  519    HB2  ARG  72           HB2      ARG  72  -0.577  -2.149   9.747
  520    HB3  ARG  72           HB1      ARG  72  -0.682  -0.397   9.734
  521    HG2  ARG  72           HG2      ARG  72  -2.042  -1.002  11.497
  522    HG3  ARG  72           HG1      ARG  72  -3.186  -0.760  10.179
  523    HD2  ARG  72           HD2      ARG  72  -3.811  -2.770  11.269
  524    HD3  ARG  72           HD1      ARG  72  -3.046  -3.234   9.747
  525    HE   ARG  72           HE       ARG  72  -1.044  -3.202  11.664
  526   HH11  ARG  72          HH11      ARG  72  -4.006  -5.126  11.016
  527   HH12  ARG  72          HH12      ARG  72  -3.424  -6.424  11.962
  528   HH21  ARG  72          HH21      ARG  72  -0.387  -5.024  12.948
  529   HH22  ARG  72          HH22      ARG  72  -1.423  -6.389  13.026
  530    H    GLU  73           HN       GLU  73  -0.655   0.942   7.871
  531    HA   GLU  73           HA       GLU  73  -2.913   2.585   8.186
  532    HB2  GLU  73           HB2      GLU  73  -0.192   3.131   7.035
  533    HB3  GLU  73           HB1      GLU  73  -1.374   4.376   7.388
  534    HG2  GLU  73           HG2      GLU  73  -1.286   3.875   9.720
  535    HG3  GLU  73           HG1      GLU  73  -0.249   2.479   9.417
  536    H    LEU  74           HN       LEU  74  -1.101   1.596   5.296
  537    HA   LEU  74           HA       LEU  74  -2.538   3.170   3.420
  538    HB2  LEU  74           HB2      LEU  74  -0.300   1.640   3.229
  539    HB3  LEU  74           HB1      LEU  74  -1.497   0.513   2.608
  540    HG   LEU  74           HG       LEU  74  -0.967   3.220   1.388
  541   HD11  LEU  74          HD11      LEU  74   0.195   1.984  -0.374
  542   HD12  LEU  74          HD12      LEU  74   0.011   0.499   0.559
  543   HD13  LEU  74          HD13      LEU  74   0.990   1.822   1.190
  544   HD21  LEU  74          HD21      LEU  74  -2.209   2.323  -0.527
  545   HD22  LEU  74          HD22      LEU  74  -3.217   2.342   0.921
  546   HD23  LEU  74          HD23      LEU  74  -2.506   0.827   0.359
  547    H    LEU  75           HN       LEU  75  -2.929  -0.140   4.579
  548    HA   LEU  75           HA       LEU  75  -5.131  -0.815   2.974
  549    HB2  LEU  75           HB2      LEU  75  -3.749  -2.491   4.084
  550    HB3  LEU  75           HB1      LEU  75  -4.240  -1.888   5.651
  551    HG   LEU  75           HG       LEU  75  -6.533  -2.652   5.245
  552   HD11  LEU  75          HD11      LEU  75  -7.068  -4.033   3.312
  553   HD12  LEU  75          HD12      LEU  75  -5.462  -3.748   2.645
  554   HD13  LEU  75          HD13      LEU  75  -6.600  -2.410   2.825
  555   HD21  LEU  75          HD21      LEU  75  -6.092  -5.056   5.340
  556   HD22  LEU  75          HD22      LEU  75  -4.942  -4.156   6.332
  557   HD23  LEU  75          HD23      LEU  75  -4.448  -4.783   4.761
  558    H    ASP  76           HN       ASP  76  -4.857   0.629   6.179
  559    HA   ASP  76           HA       ASP  76  -7.609   0.612   6.843
  560    HB2  ASP  76           HB2      ASP  76  -5.930   0.927   8.567
  561    HB3  ASP  76           HB1      ASP  76  -5.361   2.403   7.796
  562    H    LEU  77           HN       LEU  77  -5.554   2.936   5.245
  563    HA   LEU  77           HA       LEU  77  -7.377   5.024   4.897
  564    HB2  LEU  77           HB2      LEU  77  -5.144   4.066   3.134
  565    HB3  LEU  77           HB1      LEU  77  -6.047   5.525   2.826
  566    HG   LEU  77           HG       LEU  77  -4.240   5.011   5.206
  567   HD11  LEU  77          HD11      LEU  77  -3.072   5.310   3.108
  568   HD12  LEU  77          HD12      LEU  77  -2.858   6.698   4.170
  569   HD13  LEU  77          HD13      LEU  77  -3.972   6.795   2.808
  570   HD21  LEU  77          HD21      LEU  77  -4.664   7.349   5.757
  571   HD22  LEU  77          HD22      LEU  77  -6.171   6.436   5.789
  572   HD23  LEU  77          HD23      LEU  77  -5.800   7.479   4.415
  573    H    ILE  78           HN       ILE  78  -6.648   2.266   2.787
  574    HA   ILE  78           HA       ILE  78  -8.702   2.981   0.979
  575    HB   ILE  78           HB       ILE  78  -7.060   0.455   1.189
  576   HG12  ILE  78          HG12      ILE  78  -7.052   2.851  -0.645
  577   HG13  ILE  78          HG11      ILE  78  -5.797   2.351   0.477
  578   HG21  ILE  78          HG21      ILE  78  -7.970  -0.212  -1.010
  579   HG22  ILE  78          HG22      ILE  78  -9.078   1.160  -0.963
  580   HG23  ILE  78          HG23      ILE  78  -9.240  -0.142   0.213
  581   HD11  ILE  78          HD11      ILE  78  -6.651   0.795  -1.917
  582   HD12  ILE  78          HD12      ILE  78  -5.190   0.518  -0.926
  583   HD13  ILE  78          HD13      ILE  78  -5.348   1.973  -1.949
  584    H    ASN  79           HN       ASN  79  -8.602   0.934   3.760
  585    HA   ASN  79           HA       ASN  79 -11.088  -0.327   3.566
  586    HB2  ASN  79           HB2      ASN  79  -9.497   0.644   5.905
  587    HB3  ASN  79           HB1      ASN  79 -11.170   0.205   6.187
  588   HD21  ASN  79          HD21      ASN  79  -8.965  -1.434   3.919
  589   HD22  ASN  79          HD22      ASN  79  -8.965  -2.926   4.801
  590    H    GLY  80           HN       GLY  80 -10.348   2.915   4.776
  591    HA2  GLY  80           HA2      GLY  80 -13.067   3.611   5.237
  592    HA3  GLY  80           HA1      GLY  80 -11.708   4.726   5.164
  593    H    ALA  81           HN       ALA  81 -10.870   4.040   2.539
  594    HA   ALA  81           HA       ALA  81 -12.487   5.855   1.097
  595    HB1  ALA  81           HB1      ALA  81 -10.081   5.636   0.712
  596    HB2  ALA  81           HB2      ALA  81 -10.997   5.415  -0.778
  597    HB3  ALA  81           HB3      ALA  81 -10.332   4.013   0.066
  598    H    LEU  82           HN       LEU  82 -12.100   2.355   0.952
  599    HA   LEU  82           HA       LEU  82 -13.915   1.954  -1.174
  600    HB2  LEU  82           HB2      LEU  82 -12.749   0.162   0.918
  601    HB3  LEU  82           HB1      LEU  82 -13.989  -0.426  -0.152
  602    HG   LEU  82           HG       LEU  82 -11.232   0.576  -1.041
  603   HD11  LEU  82          HD11      LEU  82 -11.149  -1.533   0.157
  604   HD12  LEU  82          HD12      LEU  82 -10.814  -1.739  -1.563
  605   HD13  LEU  82          HD13      LEU  82 -12.388  -2.193  -0.910
  606   HD21  LEU  82          HD21      LEU  82 -11.893  -0.263  -3.224
  607   HD22  LEU  82          HD22      LEU  82 -13.019   0.986  -2.700
  608   HD23  LEU  82          HD23      LEU  82 -13.479  -0.715  -2.599
  609    H    ALA  83           HN       ALA  83 -14.324   2.287   2.274
  610    HA   ALA  83           HA       ALA  83 -16.959   1.248   2.336
  611    HB1  ALA  83           HB1      ALA  83 -15.587   3.097   4.291
  612    HB2  ALA  83           HB2      ALA  83 -15.562   1.335   4.339
  613    HB3  ALA  83           HB3      ALA  83 -17.077   2.203   4.584
  614    H    GLU  84           HN       GLU  84 -15.566   4.452   1.862
  615    HA   GLU  84           HA       GLU  84 -18.080   5.814   1.980
  616    HB2  GLU  84           HB2      GLU  84 -15.460   6.812   0.872
  617    HB3  GLU  84           HB1      GLU  84 -16.885   7.794   1.167
  618    HG2  GLU  84           HG2      GLU  84 -16.691   7.044   3.585
  619    HG3  GLU  84           HG1      GLU  84 -15.083   6.470   3.153
  620    H    ALA  85           HN       ALA  85 -17.058   3.730  -0.212
  621    HA   ALA  85           HA       ALA  85 -17.924   5.105  -2.590
  622    HB1  ALA  85           HB1      ALA  85 -17.339   2.175  -2.143
  623    HB2  ALA  85           HB2      ALA  85 -16.189   3.376  -2.732
  624    HB3  ALA  85           HB3      ALA  85 -17.595   2.949  -3.708
  625    H    ALA  86           HN       ALA  86 -19.451   3.836   0.027
  626    HA   ALA  86           HA       ALA  86 -21.766   2.739  -1.295
  627    HB1  ALA  86           HB1      ALA  86 -21.089   1.885   0.908
  628    HB2  ALA  86           HB2      ALA  86 -22.704   2.586   0.974
  629    HB3  ALA  86           HB3      ALA  86 -21.321   3.488   1.606
  630    H28  SXM  87          H28A      SXM  87   7.732  13.134   2.800
  631   H28A  SXM  87          H28B      SXM  87   9.210  12.990   1.858
  632    H30  SXM  87          H30A      SXM  87   5.537  13.285   1.527
  633   H30A  SXM  87          H30B      SXM  87   6.057  12.055   0.376
  634   H30B  SXM  87          H30C      SXM  87   5.552  13.642  -0.200
  635    H31  SXM  87          H31C      SXM  87   7.032  15.662   0.281
  636   H31A  SXM  87          H31A      SXM  87   8.511  15.428   1.217
  637   H31B  SXM  87          H31B      SXM  87   6.935  15.239   1.989
  638    H32  SXM  87          H32A      SXM  87   8.232  12.370  -0.947
  639   HO33  SXM  87          H33A      SXM  87  10.200  12.985  -0.638
  640   HN36  SXM  87          H36A      SXM  87   9.493  14.854  -2.077
  641    H37  SXM  87          H37B      SXM  87   7.866  16.762  -3.225
  642   H37A  SXM  87          H37A      SXM  87   7.629  15.339  -4.247
  643    H38  SXM  87          H38A      SXM  87  10.063  15.265  -4.697
  644   H38A  SXM  87          H38B      SXM  87   9.241  16.675  -5.301
  645   HN41  SXM  87          H41A      SXM  87   9.308  17.547  -2.229
  646    H42  SXM  87          H42A      SXM  87  12.006  18.115  -1.622
  647   H42A  SXM  87          H42B      SXM  87  11.227  19.503  -2.380
  648    H43  SXM  87          H43A      SXM  87   9.496  19.467  -0.654
  649   H43A  SXM  87          H43B      SXM  87  11.105  19.599   0.076
  650    H2   SXM  87           H2A      SXM  87  10.771  15.818   2.313
  651    H2A  SXM  87           H2B      SXM  87  12.335  16.396   2.852
  Start of MODEL   20
    1    H1   MET   1           HT1      MET   1 -19.388  -5.551   2.425
    2    H2   MET   1           HT2      MET   1 -19.878  -4.705   3.781
    3    H3   MET   1           HT3      MET   1 -18.219  -5.074   3.537
    4    HA   MET   1           HA       MET   1 -19.906  -3.355   1.829
    5    HB2  MET   1           HB2      MET   1 -17.718  -2.553   3.774
    6    HB3  MET   1           HB1      MET   1 -18.496  -1.468   2.637
    7    HG2  MET   1           HG2      MET   1 -19.426  -1.080   4.791
    8    HG3  MET   1           HG1      MET   1 -20.648  -1.887   3.814
    9    HE1  MET   1           HE1      MET   1 -22.067  -2.459   5.966
   10    HE2  MET   1           HE2      MET   1 -20.873  -1.629   6.968
   11    HE3  MET   1           HE3      MET   1 -21.409  -3.253   7.399
   12    H    ALA   2           HN       ALA   2 -19.271  -4.276  -0.044
   13    HA   ALA   2           HA       ALA   2 -18.012  -4.710  -1.862
   14    HB1  ALA   2           HB1      ALA   2 -17.560  -2.289  -1.737
   15    HB2  ALA   2           HB2      ALA   2 -16.166  -3.171  -2.365
   16    HB3  ALA   2           HB3      ALA   2 -16.171  -2.606  -0.697
   17    H    THR   3           HN       THR   3 -15.230  -4.867  -2.281
   18    HA   THR   3           HA       THR   3 -14.499  -6.909  -0.334
   19    HB   THR   3           HB       THR   3 -12.819  -7.529  -2.174
   20    HG1  THR   3           HG1      THR   3 -12.826  -6.411  -3.911
   21   HG21  THR   3          HG21      THR   3 -14.485  -8.820  -3.448
   22   HG22  THR   3          HG22      THR   3 -15.770  -7.828  -2.755
   23   HG23  THR   3          HG23      THR   3 -14.809  -8.877  -1.715
   24    H    LEU   4           HN       LEU   4 -13.344  -5.903   1.228
   25    HA   LEU   4           HA       LEU   4 -11.624  -3.694   0.709
   26    HB2  LEU   4           HB2      LEU   4 -11.574  -5.610   3.052
   27    HB3  LEU   4           HB1      LEU   4 -10.755  -4.065   2.975
   28    HG   LEU   4           HG       LEU   4 -13.703  -4.527   3.016
   29   HD11  LEU   4          HD11      LEU   4 -11.855  -3.380   5.101
   30   HD12  LEU   4          HD12      LEU   4 -12.675  -4.940   5.168
   31   HD13  LEU   4          HD13      LEU   4 -13.611  -3.449   5.230
   32   HD21  LEU   4          HD21      LEU   4 -12.175  -1.931   2.975
   33   HD22  LEU   4          HD22      LEU   4 -13.915  -2.080   3.224
   34   HD23  LEU   4          HD23      LEU   4 -13.196  -2.566   1.686
   35    H    LEU   5           HN       LEU   5  -9.392  -3.705   0.548
   36    HA   LEU   5           HA       LEU   5  -8.405  -5.788  -1.035
   37    HB2  LEU   5           HB2      LEU   5  -6.834  -3.567   0.336
   38    HB3  LEU   5           HB1      LEU   5  -6.253  -4.616  -0.945
   39    HG   LEU   5           HG       LEU   5  -8.401  -2.538  -1.092
   40   HD11  LEU   5          HD11      LEU   5  -6.147  -1.675  -1.116
   41   HD12  LEU   5          HD12      LEU   5  -6.893  -1.511  -2.707
   42   HD13  LEU   5          HD13      LEU   5  -5.716  -2.789  -2.412
   43   HD21  LEU   5          HD21      LEU   5  -9.074  -4.458  -2.404
   44   HD22  LEU   5          HD22      LEU   5  -7.496  -4.492  -3.195
   45   HD23  LEU   5          HD23      LEU   5  -8.585  -3.131  -3.457
   46    H    THR   6           HN       THR   6  -7.579  -7.624  -0.536
   47    HA   THR   6           HA       THR   6  -7.211  -8.250   2.229
   48    HB   THR   6           HB       THR   6  -6.650 -10.541   1.402
   49    HG1  THR   6           HG1      THR   6  -7.231  -9.362  -1.138
   50   HG21  THR   6          HG21      THR   6  -9.201  -9.350   0.305
   51   HG22  THR   6          HG22      THR   6  -8.957  -9.942   1.948
   52   HG23  THR   6          HG23      THR   6  -8.911 -11.065   0.590
   53    H    THR   7           HN       THR   7  -5.150  -9.888   2.439
   54    HA   THR   7           HA       THR   7  -2.996  -8.156   2.549
   55    HB   THR   7           HB       THR   7  -2.801 -11.161   2.616
   56    HG1  THR   7           HG1      THR   7  -3.582 -10.945   4.818
   57   HG21  THR   7          HG21      THR   7  -1.165 -10.616   4.389
   58   HG22  THR   7          HG22      THR   7  -1.543  -8.898   4.179
   59   HG23  THR   7          HG23      THR   7  -0.772  -9.782   2.882
   60    H    ASP   8           HN       ASP   8  -3.950 -10.724   0.304
   61    HA   ASP   8           HA       ASP   8  -1.534 -10.621  -1.206
   62    HB2  ASP   8           HB2      ASP   8  -4.211 -11.800  -1.974
   63    HB3  ASP   8           HB1      ASP   8  -2.743 -11.961  -2.931
   64    H    ASP   9           HN       ASP   9  -4.593  -8.949  -1.480
   65    HA   ASP   9           HA       ASP   9  -4.188  -7.889  -4.101
   66    HB2  ASP   9           HB2      ASP   9  -5.749  -6.610  -1.820
   67    HB3  ASP   9           HB1      ASP   9  -5.798  -6.089  -3.491
   68    H    LEU  10           HN       LEU  10  -3.621  -6.602  -0.902
   69    HA   LEU  10           HA       LEU  10  -2.328  -4.220  -1.590
   70    HB2  LEU  10           HB2      LEU  10  -3.177  -4.513   0.602
   71    HB3  LEU  10           HB1      LEU  10  -2.287  -5.998   0.831
   72    HG   LEU  10           HG       LEU  10  -0.195  -4.735   0.998
   73   HD11  LEU  10          HD11      LEU  10  -1.938  -2.305   0.721
   74   HD12  LEU  10          HD12      LEU  10  -0.730  -2.893  -0.442
   75   HD13  LEU  10          HD13      LEU  10  -0.220  -2.323   1.152
   76   HD21  LEU  10          HD21      LEU  10  -2.381  -3.714   2.795
   77   HD22  LEU  10          HD22      LEU  10  -0.650  -3.649   3.133
   78   HD23  LEU  10          HD23      LEU  10  -1.465  -5.207   3.001
   79    H    ARG  11           HN       ARG  11  -1.014  -7.371  -0.679
   80    HA   ARG  11           HA       ARG  11   1.652  -6.695  -0.745
   81    HB2  ARG  11           HB2      ARG  11   0.962  -8.635   0.383
   82    HB3  ARG  11           HB1      ARG  11   0.306  -9.341  -1.084
   83    HG2  ARG  11           HG2      ARG  11   2.437  -9.789  -1.937
   84    HG3  ARG  11           HG1      ARG  11   3.197  -8.709  -0.756
   85    HD2  ARG  11           HD2      ARG  11   3.431 -11.151  -0.258
   86    HD3  ARG  11           HD1      ARG  11   2.731 -10.174   1.027
   87    HE   ARG  11           HE       ARG  11   0.980 -11.638  -0.801
   88   HH11  ARG  11          HH11      ARG  11   2.443 -11.346   2.417
   89   HH12  ARG  11          HH12      ARG  11   1.240 -12.261   3.222
   90   HH21  ARG  11          HH21      ARG  11  -0.693 -12.957   0.332
   91   HH22  ARG  11          HH22      ARG  11  -0.535 -13.185   2.019
   92    H    ARG  12           HN       ARG  12  -0.203  -8.176  -3.426
   93    HA   ARG  12           HA       ARG  12   2.140  -8.330  -5.003
   94    HB2  ARG  12           HB2      ARG  12  -0.743  -8.407  -5.850
   95    HB3  ARG  12           HB1      ARG  12   0.596  -8.615  -6.968
   96    HG2  ARG  12           HG2      ARG  12  -0.002 -10.370  -4.598
   97    HG3  ARG  12           HG1      ARG  12  -0.350 -10.749  -6.283
   98    HD2  ARG  12           HD2      ARG  12   2.097 -10.576  -6.754
   99    HD3  ARG  12           HD1      ARG  12   2.371 -10.379  -5.022
  100    HE   ARG  12           HE       ARG  12   0.822 -12.682  -5.536
  101   HH11  ARG  12          HH11      ARG  12   4.262 -11.582  -5.535
  102   HH12  ARG  12          HH12      ARG  12   4.844 -13.165  -5.534
  103   HH21  ARG  12          HH21      ARG  12   1.765 -14.848  -5.566
  104   HH22  ARG  12          HH22      ARG  12   3.473 -14.994  -5.524
  105    H    ALA  13           HN       ALA  13  -0.185  -5.761  -4.601
  106    HA   ALA  13           HA       ALA  13   0.796  -4.198  -6.765
  107    HB1  ALA  13           HB1      ALA  13  -1.414  -3.829  -5.807
  108    HB2  ALA  13           HB2      ALA  13  -0.442  -2.362  -5.741
  109    HB3  ALA  13           HB3      ALA  13  -0.679  -3.332  -4.285
  110    H    LEU  14           HN       LEU  14   1.518  -4.494  -3.368
  111    HA   LEU  14           HA       LEU  14   3.360  -2.384  -3.072
  112    HB2  LEU  14           HB2      LEU  14   2.258  -3.624  -1.232
  113    HB3  LEU  14           HB1      LEU  14   3.205  -5.037  -1.638
  114    HG   LEU  14           HG       LEU  14   5.258  -3.711  -1.085
  115   HD11  LEU  14          HD11      LEU  14   4.321  -1.489  -1.357
  116   HD12  LEU  14          HD12      LEU  14   4.985  -1.706   0.260
  117   HD13  LEU  14          HD13      LEU  14   3.241  -1.765   0.008
  118   HD21  LEU  14          HD21      LEU  14   3.208  -4.113   1.092
  119   HD22  LEU  14          HD22      LEU  14   4.950  -3.929   1.335
  120   HD23  LEU  14          HD23      LEU  14   4.329  -5.321   0.457
  121    H    VAL  15           HN       VAL  15   3.677  -5.764  -3.906
  122    HA   VAL  15           HA       VAL  15   6.458  -5.988  -4.160
  123    HB   VAL  15           HB       VAL  15   4.197  -7.480  -5.537
  124   HG11  VAL  15          HG11      VAL  15   6.180  -7.603  -6.976
  125   HG12  VAL  15          HG12      VAL  15   5.843  -9.160  -6.224
  126   HG13  VAL  15          HG13      VAL  15   7.146  -8.146  -5.605
  127   HG21  VAL  15          HG21      VAL  15   4.838  -9.280  -4.004
  128   HG22  VAL  15          HG22      VAL  15   4.387  -7.816  -3.134
  129   HG23  VAL  15          HG23      VAL  15   6.089  -8.245  -3.316
  130    H    GLU  16           HN       GLU  16   4.029  -5.396  -6.709
  131    HA   GLU  16           HA       GLU  16   5.913  -5.207  -8.780
  132    HB2  GLU  16           HB2      GLU  16   4.096  -4.425 -10.198
  133    HB3  GLU  16           HB1      GLU  16   3.544  -5.744  -9.184
  134    HG2  GLU  16           HG2      GLU  16   2.548  -4.040  -7.658
  135    HG3  GLU  16           HG1      GLU  16   2.964  -2.818  -8.851
  136    H    SER  17           HN       SER  17   4.744  -2.784  -6.568
  137    HA   SER  17           HA       SER  17   5.885  -0.669  -8.209
  138    HB2  SER  17           HB2      SER  17   4.325  -0.444  -5.649
  139    HB3  SER  17           HB1      SER  17   4.660   0.834  -6.824
  140    HG   SER  17           HG       SER  17   2.887  -1.285  -6.907
  141    H    ALA  18           HN       ALA  18   7.010  -2.705  -5.856
  142    HA   ALA  18           HA       ALA  18   8.384  -0.910  -4.122
  143    HB1  ALA  18           HB1      ALA  18   7.900  -3.221  -3.501
  144    HB2  ALA  18           HB2      ALA  18   9.621  -2.858  -3.371
  145    HB3  ALA  18           HB3      ALA  18   9.016  -3.790  -4.741
  146    H    GLY  19           HN       GLY  19   9.159  -2.467  -7.086
  147    HA2  GLY  19           HA2      GLY  19  11.327  -0.708  -7.581
  148    HA3  GLY  19           HA1      GLY  19  11.873  -2.342  -7.206
  149    H    GLU  20           HN       GLU  20  12.040  -3.674  -8.821
  150    HA   GLU  20           HA       GLU  20  10.247  -3.436 -11.088
  151    HB2  GLU  20           HB2      GLU  20  12.159  -1.910 -11.467
  152    HB3  GLU  20           HB1      GLU  20  13.220  -3.301 -11.281
  153    HG2  GLU  20           HG2      GLU  20  12.383  -4.284 -13.287
  154    HG3  GLU  20           HG1      GLU  20  11.112  -3.063 -13.407
  155    H    THR  21           HN       THR  21   9.827  -5.383 -11.924
  156    HA   THR  21           HA       THR  21   9.583  -7.578 -12.057
  157    HB   THR  21           HB       THR  21  11.676  -8.960 -12.521
  158    HG1  THR  21           HG1      THR  21  12.859  -6.977 -11.312
  159   HG21  THR  21          HG21      THR  21  11.353  -6.382 -14.046
  160   HG22  THR  21          HG22      THR  21  10.431  -7.861 -14.308
  161   HG23  THR  21          HG23      THR  21  12.166  -7.827 -14.645
  162    H    ASP  22           HN       ASP  22   8.600  -7.635 -10.113
  163    HA   ASP  22           HA       ASP  22   8.288  -7.793  -7.968
  164    HB2  ASP  22           HB2      ASP  22   8.742 -10.059  -6.923
  165    HB3  ASP  22           HB1      ASP  22   7.834 -10.074  -8.417
  166    H    GLY  23           HN       GLY  23   9.325  -6.048  -7.487
  167    HA2  GLY  23           HA2      GLY  23  11.936  -5.800  -6.596
  168    HA3  GLY  23           HA1      GLY  23  10.602  -4.785  -6.080
  169    H    THR  24           HN       THR  24   9.039  -6.684  -4.752
  170    HA   THR  24           HA       THR  24  10.788  -7.652  -2.643
  171    HB   THR  24           HB       THR  24   8.938  -6.919  -1.029
  172    HG1  THR  24           HG1      THR  24   8.233  -4.793  -2.562
  173   HG21  THR  24          HG21      THR  24  11.133  -5.797  -1.094
  174   HG22  THR  24          HG22      THR  24   9.834  -4.649  -0.776
  175   HG23  THR  24          HG23      THR  24  10.554  -4.740  -2.387
  176    H    ASP  25           HN       ASP  25   9.029  -8.807  -1.009
  177    HA   ASP  25           HA       ASP  25   7.133 -10.362  -2.603
  178    HB2  ASP  25           HB2      ASP  25   9.321 -11.585  -0.912
  179    HB3  ASP  25           HB1      ASP  25   7.869 -12.471  -1.343
  180    H    LEU  26           HN       LEU  26   8.348  -9.805   0.665
  181    HA   LEU  26           HA       LEU  26   7.400  -9.642   2.647
  182    HB2  LEU  26           HB2      LEU  26   4.998  -8.643   1.096
  183    HB3  LEU  26           HB1      LEU  26   5.113  -8.601   2.838
  184    HG   LEU  26           HG       LEU  26   5.548  -6.431   2.110
  185   HD11  LEU  26          HD11      LEU  26   7.852  -5.962   2.733
  186   HD12  LEU  26          HD12      LEU  26   8.206  -7.689   2.656
  187   HD13  LEU  26          HD13      LEU  26   7.046  -7.077   3.839
  188   HD21  LEU  26          HD21      LEU  26   7.207  -5.821   0.408
  189   HD22  LEU  26          HD22      LEU  26   5.930  -6.847  -0.245
  190   HD23  LEU  26          HD23      LEU  26   7.513  -7.532   0.112
  191    H    SER  27           HN       SER  27   7.634 -11.907   2.709
  192    HA   SER  27           HA       SER  27   5.367 -13.582   2.238
  193    HB2  SER  27           HB2      SER  27   7.986 -14.212   3.584
  194    HB3  SER  27           HB1      SER  27   6.858 -15.352   2.851
  195    HG   SER  27           HG       SER  27   7.329 -14.463   0.818
  196    H    GLY  28           HN       GLY  28   3.807 -13.860   3.654
  197    HA2  GLY  28           HA2      GLY  28   2.965 -14.624   5.705
  198    HA3  GLY  28           HA1      GLY  28   4.463 -14.135   6.478
  199    H    ASP  29           HN       ASP  29   4.388 -12.417   7.705
  200    HA   ASP  29           HA       ASP  29   2.003 -10.703   7.565
  201    HB2  ASP  29           HB2      ASP  29   3.755 -11.400   9.938
  202    HB3  ASP  29           HB1      ASP  29   2.439 -10.236   9.973
  203    H    PHE  30           HN       PHE  30   2.413  -8.805   6.768
  204    HA   PHE  30           HA       PHE  30   5.020  -7.592   7.340
  205    HB2  PHE  30           HB2      PHE  30   5.117  -6.690   5.076
  206    HB3  PHE  30           HB1      PHE  30   5.044  -8.445   5.054
  207    HD1  PHE  30           HD2      PHE  30   3.003  -9.588   4.285
  208    HD2  PHE  30           HD1      PHE  30   3.364  -5.350   4.137
  209    HE1  PHE  30           HE2      PHE  30   1.097  -9.484   2.745
  210    HE2  PHE  30           HE1      PHE  30   1.457  -5.247   2.604
  211    HZ   PHE  30           HZ       PHE  30   0.354  -7.288   1.864
  212    H    LEU  31           HN       LEU  31   1.946  -7.289   8.103
  213    HA   LEU  31           HA       LEU  31   1.367  -4.645   7.152
  214    HB2  LEU  31           HB2      LEU  31  -0.038  -6.428   9.141
  215    HB3  LEU  31           HB1      LEU  31  -0.597  -4.824   8.739
  216    HG   LEU  31           HG       LEU  31  -1.935  -6.394   7.584
  217   HD11  LEU  31          HD11      LEU  31  -1.610  -5.775   5.252
  218   HD12  LEU  31          HD12      LEU  31  -0.023  -5.127   5.661
  219   HD13  LEU  31          HD13      LEU  31  -1.476  -4.408   6.358
  220   HD21  LEU  31          HD21      LEU  31  -1.063  -8.027   5.959
  221   HD22  LEU  31          HD22      LEU  31  -0.477  -8.348   7.591
  222   HD23  LEU  31          HD23      LEU  31   0.582  -7.583   6.408
  223    H    ASP  32           HN       ASP  32   2.664  -6.118   9.983
  224    HA   ASP  32           HA       ASP  32   2.689  -3.623  11.460
  225    HB2  ASP  32           HB2      ASP  32   3.678  -4.929  13.299
  226    HB3  ASP  32           HB1      ASP  32   2.199  -5.667  12.711
  227    H    LEU  33           HN       LEU  33   4.483  -4.750   9.032
  228    HA   LEU  33           HA       LEU  33   7.097  -4.107  10.105
  229    HB2  LEU  33           HB2      LEU  33   6.234  -4.832   7.306
  230    HB3  LEU  33           HB1      LEU  33   7.889  -4.522   7.785
  231    HG   LEU  33           HG       LEU  33   6.159  -6.787   8.753
  232   HD11  LEU  33          HD11      LEU  33   7.745  -8.182   7.517
  233   HD12  LEU  33          HD12      LEU  33   8.580  -6.735   6.952
  234   HD13  LEU  33          HD13      LEU  33   6.919  -7.051   6.446
  235   HD21  LEU  33          HD21      LEU  33   8.187  -7.578   9.856
  236   HD22  LEU  33          HD22      LEU  33   7.670  -6.015  10.489
  237   HD23  LEU  33          HD23      LEU  33   9.026  -6.108   9.366
  238    H    ARG  34           HN       ARG  34   8.200  -2.289   9.678
  239    HA   ARG  34           HA       ARG  34   6.595  -0.053   8.766
  240    HB2  ARG  34           HB2      ARG  34   9.432  -0.139   9.785
  241    HB3  ARG  34           HB1      ARG  34   8.502   1.313   9.467
  242    HG2  ARG  34           HG2      ARG  34   6.897   0.587  11.233
  243    HG3  ARG  34           HG1      ARG  34   8.000  -0.743  11.610
  244    HD2  ARG  34           HD2      ARG  34   8.363   1.186  13.083
  245    HD3  ARG  34           HD1      ARG  34   9.781   0.852  12.085
  246    HE   ARG  34           HE       ARG  34   7.867   2.767  11.056
  247   HH11  ARG  34          HH11      ARG  34  10.958   2.404  12.849
  248   HH12  ARG  34          HH12      ARG  34  11.515   3.946  12.386
  249   HH21  ARG  34          HH21      ARG  34   8.680   4.759  10.432
  250   HH22  ARG  34          HH22      ARG  34  10.216   5.353  10.933
  251    H    PHE  35           HN       PHE  35   6.991   1.114   6.903
  252    HA   PHE  35           HA       PHE  35   8.414  -0.153   4.817
  253    HB2  PHE  35           HB2      PHE  35   7.267   2.629   5.040
  254    HB3  PHE  35           HB1      PHE  35   8.129   2.086   3.605
  255    HD1  PHE  35           HD2      PHE  35   7.227  -0.385   2.809
  256    HD2  PHE  35           HD1      PHE  35   5.016   2.568   4.913
  257    HE1  PHE  35           HE2      PHE  35   5.144  -1.365   1.991
  258    HE2  PHE  35           HE1      PHE  35   2.927   1.586   4.103
  259    HZ   PHE  35           HZ       PHE  35   3.040  -0.389   2.501
  260    H    GLU  36           HN       GLU  36   9.284   2.131   7.189
  261    HA   GLU  36           HA       GLU  36  11.707   3.089   6.124
  262    HB2  GLU  36           HB2      GLU  36  10.528   4.029   8.099
  263    HB3  GLU  36           HB1      GLU  36  10.970   2.599   9.015
  264    HG2  GLU  36           HG2      GLU  36  12.436   4.400   9.591
  265    HG3  GLU  36           HG1      GLU  36  13.346   3.179   8.707
  266    H    ASP  37           HN       ASP  37  10.814   0.132   7.753
  267    HA   ASP  37           HA       ASP  37  13.464  -0.753   8.371
  268    HB2  ASP  37           HB2      ASP  37  11.585  -1.548   9.694
  269    HB3  ASP  37           HB1      ASP  37  10.851  -2.266   8.267
  270    H    ILE  38           HN       ILE  38  11.170  -1.328   5.767
  271    HA   ILE  38           HA       ILE  38  13.024  -3.209   4.583
  272    HB   ILE  38           HB       ILE  38  11.231  -3.594   2.845
  273   HG12  ILE  38          HG12      ILE  38   9.589  -1.859   4.719
  274   HG13  ILE  38          HG11      ILE  38  10.055  -1.461   3.068
  275   HG21  ILE  38          HG21      ILE  38  11.535  -5.089   4.727
  276   HG22  ILE  38          HG22      ILE  38   9.815  -4.921   4.367
  277   HG23  ILE  38          HG23      ILE  38  10.524  -4.056   5.736
  278   HD11  ILE  38          HD11      ILE  38   8.235  -3.721   3.887
  279   HD12  ILE  38          HD12      ILE  38   8.692  -3.315   2.236
  280   HD13  ILE  38          HD13      ILE  38   7.732  -2.183   3.187
  281    H    GLY  39           HN       GLY  39  13.411  -0.282   4.720
  282    HA2  GLY  39           HA2      GLY  39  14.404   1.374   3.455
  283    HA3  GLY  39           HA1      GLY  39  14.963   0.057   2.433
  284    H    TYR  40           HN       TYR  40  11.745   1.326   3.094
  285    HA   TYR  40           HA       TYR  40  11.234   1.118   0.254
  286    HB2  TYR  40           HB2      TYR  40   9.753   0.370   2.389
  287    HB3  TYR  40           HB1      TYR  40   9.106   1.975   2.063
  288    HD1  TYR  40           HD1      TYR  40   9.731  -1.303   0.607
  289    HD2  TYR  40           HD2      TYR  40   7.699   2.391   0.251
  290    HE1  TYR  40           HE1      TYR  40   8.408  -2.238  -1.231
  291    HE2  TYR  40           HE2      TYR  40   6.355   1.495  -1.590
  292    HH   TYR  40           HH       TYR  40   6.208  -1.779  -2.444
  293    H    ASP  41           HN       ASP  41  11.677   2.823  -0.874
  294    HA   ASP  41           HA       ASP  41  11.732   5.505   0.037
  295    HB2  ASP  41           HB2      ASP  41  11.511   4.327  -2.741
  296    HB3  ASP  41           HB1      ASP  41  11.633   6.050  -2.433
  297    H    SER  42           HN       SER  42  10.128   7.087  -0.025
  298    HA   SER  42           HA       SER  42   7.509   6.151  -0.104
  299    HB2  SER  42           HB2      SER  42   7.176   8.821  -0.291
  300    HB3  SER  42           HB1      SER  42   7.414   7.973   1.232
  301    H    LEU  43           HN       LEU  43   9.524   7.364  -2.664
  302    HA   LEU  43           HA       LEU  43   7.429   7.880  -4.473
  303    HB2  LEU  43           HB2      LEU  43   9.660   8.450  -5.173
  304    HB3  LEU  43           HB1      LEU  43  10.199   6.791  -5.004
  305    HG   LEU  43           HG       LEU  43   8.838   6.115  -6.923
  306   HD11  LEU  43          HD11      LEU  43   8.035   9.014  -7.159
  307   HD12  LEU  43          HD12      LEU  43   6.991   7.641  -6.749
  308   HD13  LEU  43          HD13      LEU  43   7.711   7.741  -8.341
  309   HD21  LEU  43          HD21      LEU  43  10.068   7.289  -8.681
  310   HD22  LEU  43          HD22      LEU  43  11.115   6.835  -7.335
  311   HD23  LEU  43          HD23      LEU  43  10.573   8.503  -7.507
  312    H    ALA  44           HN       ALA  44   9.048   4.849  -3.669
  313    HA   ALA  44           HA       ALA  44   7.532   3.239  -5.429
  314    HB1  ALA  44           HB1      ALA  44   8.901   2.449  -2.842
  315    HB2  ALA  44           HB2      ALA  44   9.668   2.502  -4.429
  316    HB3  ALA  44           HB3      ALA  44   8.372   1.349  -4.118
  317    H    LEU  45           HN       LEU  45   7.120   4.315  -2.145
  318    HA   LEU  45           HA       LEU  45   4.818   2.811  -1.525
  319    HB2  LEU  45           HB2      LEU  45   6.221   3.837   0.173
  320    HB3  LEU  45           HB1      LEU  45   5.812   5.433  -0.415
  321    HG   LEU  45           HG       LEU  45   3.527   5.171   0.359
  322   HD11  LEU  45          HD11      LEU  45   2.856   3.194   1.626
  323   HD12  LEU  45          HD12      LEU  45   4.417   2.443   1.295
  324   HD13  LEU  45          HD13      LEU  45   3.296   2.769  -0.027
  325   HD21  LEU  45          HD21      LEU  45   3.971   5.079   2.756
  326   HD22  LEU  45          HD22      LEU  45   5.194   6.031   1.911
  327   HD23  LEU  45          HD23      LEU  45   5.561   4.386   2.439
  328    H    MET  46           HN       MET  46   5.206   6.113  -2.753
  329    HA   MET  46           HA       MET  46   2.532   6.877  -3.043
  330    HB2  MET  46           HB2      MET  46   4.941   7.541  -4.736
  331    HB3  MET  46           HB1      MET  46   3.366   8.265  -4.983
  332    HG2  MET  46           HG2      MET  46   5.021   8.474  -2.498
  333    HG3  MET  46           HG1      MET  46   4.898   9.682  -3.781
  334    HE1  MET  46           HE1      MET  46   2.633  10.941  -4.390
  335    HE2  MET  46           HE2      MET  46   1.105  10.671  -3.553
  336    HE3  MET  46           HE3      MET  46   1.809   9.389  -4.541
  337    H    GLU  47           HN       GLU  47   4.707   5.212  -5.223
  338    HA   GLU  47           HA       GLU  47   2.905   5.036  -7.350
  339    HB2  GLU  47           HB2      GLU  47   5.406   4.846  -7.376
  340    HB3  GLU  47           HB1      GLU  47   5.224   3.197  -6.792
  341    HG2  GLU  47           HG2      GLU  47   3.928   2.625  -8.753
  342    HG3  GLU  47           HG1      GLU  47   4.082   4.270  -9.360
  343    H    THR  48           HN       THR  48   3.702   2.796  -4.712
  344    HA   THR  48           HA       THR  48   2.014   0.678  -5.402
  345    HB   THR  48           HB       THR  48   2.790   1.711  -2.650
  346    HG1  THR  48           HG1      THR  48   4.630   1.052  -3.711
  347   HG21  THR  48          HG21      THR  48   1.695  -0.994  -3.453
  348   HG22  THR  48          HG22      THR  48   0.827   0.224  -2.519
  349   HG23  THR  48          HG23      THR  48   2.258  -0.555  -1.841
  350    H    ALA  49           HN       ALA  49   1.387   3.523  -3.339
  351    HA   ALA  49           HA       ALA  49  -1.285   3.006  -2.764
  352    HB1  ALA  49           HB1      ALA  49   0.033   4.718  -1.604
  353    HB2  ALA  49           HB2      ALA  49  -1.469   5.387  -2.242
  354    HB3  ALA  49           HB3      ALA  49   0.056   5.697  -3.074
  355    H    ALA  50           HN       ALA  50   0.116   4.997  -5.357
  356    HA   ALA  50           HA       ALA  50  -2.244   5.745  -6.620
  357    HB1  ALA  50           HB1      ALA  50  -0.870   6.219  -8.582
  358    HB2  ALA  50           HB2      ALA  50   0.445   5.258  -7.906
  359    HB3  ALA  50           HB3      ALA  50  -0.058   6.749  -7.109
  360    H    ARG  51           HN       ARG  51  -0.196   2.941  -7.163
  361    HA   ARG  51           HA       ARG  51  -1.429   1.649  -9.282
  362    HB2  ARG  51           HB2      ARG  51   0.686   1.044  -8.078
  363    HB3  ARG  51           HB1      ARG  51  -0.291   0.424  -6.772
  364    HG2  ARG  51           HG2      ARG  51   0.304  -1.470  -7.910
  365    HG3  ARG  51           HG1      ARG  51  -1.287  -1.123  -8.583
  366    HD2  ARG  51           HD2      ARG  51   1.242  -0.146  -9.871
  367    HD3  ARG  51           HD1      ARG  51   0.618  -1.754 -10.179
  368    HE   ARG  51           HE       ARG  51  -1.029   0.625 -10.746
  369   HH11  ARG  51          HH11      ARG  51   0.674  -2.311 -11.808
  370   HH12  ARG  51          HH12      ARG  51   0.056  -2.211 -13.414
  371   HH21  ARG  51          HH21      ARG  51  -1.961   0.623 -12.957
  372   HH22  ARG  51          HH22      ARG  51  -1.441  -0.609 -14.022
  373    H    LEU  52           HN       LEU  52  -2.006   1.298  -5.799
  374    HA   LEU  52           HA       LEU  52  -4.178  -0.474  -5.947
  375    HB2  LEU  52           HB2      LEU  52  -3.344   1.461  -3.801
  376    HB3  LEU  52           HB1      LEU  52  -4.668   0.335  -3.609
  377    HG   LEU  52           HG       LEU  52  -1.810  -0.488  -4.135
  378   HD11  LEU  52          HD11      LEU  52  -3.390  -0.442  -1.565
  379   HD12  LEU  52          HD12      LEU  52  -2.020   0.597  -1.961
  380   HD13  LEU  52          HD13      LEU  52  -1.785  -1.139  -1.777
  381   HD21  LEU  52          HD21      LEU  52  -4.251  -2.056  -3.307
  382   HD22  LEU  52          HD22      LEU  52  -2.616  -2.698  -3.478
  383   HD23  LEU  52          HD23      LEU  52  -3.483  -2.101  -4.892
  384    H    GLU  53           HN       GLU  53  -4.102   3.072  -5.665
  385    HA   GLU  53           HA       GLU  53  -6.882   3.417  -5.431
  386    HB2  GLU  53           HB2      GLU  53  -5.251   5.417  -6.947
  387    HB3  GLU  53           HB1      GLU  53  -6.690   5.520  -5.953
  388    HG2  GLU  53           HG2      GLU  53  -5.569   5.463  -3.975
  389    HG3  GLU  53           HG1      GLU  53  -4.055   4.940  -4.735
  390    H    SER  54           HN       SER  54  -4.778   3.444  -8.257
  391    HA   SER  54           HA       SER  54  -6.777   4.104 -10.115
  392    HB2  SER  54           HB2      SER  54  -4.327   4.429 -10.432
  393    HB3  SER  54           HB1      SER  54  -4.137   2.685 -10.561
  394    HG   SER  54           HG       SER  54  -5.592   4.410 -12.273
  395    H    ARG  55           HN       ARG  55  -5.508   1.030  -8.954
  396    HA   ARG  55           HA       ARG  55  -6.916  -0.537 -10.859
  397    HB2  ARG  55           HB2      ARG  55  -4.816  -1.310  -9.912
  398    HB3  ARG  55           HB1      ARG  55  -5.503  -1.306  -8.302
  399    HG2  ARG  55           HG2      ARG  55  -6.936  -3.159  -8.858
  400    HG3  ARG  55           HG1      ARG  55  -6.420  -3.100 -10.546
  401    HD2  ARG  55           HD2      ARG  55  -4.601  -3.657  -8.193
  402    HD3  ARG  55           HD1      ARG  55  -5.292  -4.890  -9.249
  403    HE   ARG  55           HE       ARG  55  -4.095  -3.374 -11.026
  404   HH11  ARG  55          HH11      ARG  55  -2.747  -4.618  -7.903
  405   HH12  ARG  55          HH12      ARG  55  -1.152  -4.593  -8.536
  406   HH21  ARG  55          HH21      ARG  55  -1.865  -3.407 -11.717
  407   HH22  ARG  55          HH22      ARG  55  -0.625  -3.900 -10.635
  408    H    TYR  56           HN       TYR  56  -7.733   0.630  -7.635
  409    HA   TYR  56           HA       TYR  56 -10.122  -1.080  -7.773
  410    HB2  TYR  56           HB2      TYR  56  -8.757  -0.072  -5.284
  411    HB3  TYR  56           HB1      TYR  56 -10.214  -1.060  -5.319
  412    HD1  TYR  56           HD1      TYR  56 -10.075  -3.379  -6.342
  413    HD2  TYR  56           HD2      TYR  56  -6.629  -1.058  -5.452
  414    HE1  TYR  56           HE1      TYR  56  -8.681  -5.404  -6.450
  415    HE2  TYR  56           HE2      TYR  56  -5.235  -3.065  -5.550
  416    HH   TYR  56           HH       TYR  56  -6.449  -6.042  -6.766
  417    H    GLY  57           HN       GLY  57  -9.259   2.204  -7.829
  418    HA2  GLY  57           HA2      GLY  57 -10.814   3.866  -8.388
  419    HA3  GLY  57           HA1      GLY  57 -12.104   2.846  -7.786
  420    H    VAL  58           HN       VAL  58  -9.234   3.579  -5.945
  421    HA   VAL  58           HA       VAL  58 -10.955   5.114  -4.142
  422    HB   VAL  58           HB       VAL  58  -9.507   4.559  -2.241
  423   HG11  VAL  58          HG11      VAL  58 -11.380   3.113  -2.722
  424   HG12  VAL  58          HG12      VAL  58 -10.014   2.182  -2.076
  425   HG13  VAL  58          HG13      VAL  58 -10.358   2.167  -3.810
  426   HG21  VAL  58          HG21      VAL  58  -7.724   2.930  -2.406
  427   HG22  VAL  58          HG22      VAL  58  -7.386   4.285  -3.490
  428   HG23  VAL  58          HG23      VAL  58  -8.019   2.760  -4.131
  429    H    SER  59           HN       SER  59  -9.504   6.603  -2.627
  430    HA   SER  59           HA       SER  59  -7.496   7.858  -4.280
  431    HB2  SER  59           HB2      SER  59  -8.605  10.100  -3.461
  432    HB3  SER  59           HB1      SER  59  -9.208   9.263  -4.892
  433    HG   SER  59           HG       SER  59 -10.948   8.685  -3.887
  434    H    ILE  60           HN       ILE  60  -5.740   7.896  -3.217
  435    HA   ILE  60           HA       ILE  60  -5.706   8.444  -0.316
  436    HB   ILE  60           HB       ILE  60  -3.649   6.874  -1.933
  437   HG12  ILE  60          HG12      ILE  60  -5.687   5.546  -1.727
  438   HG13  ILE  60          HG11      ILE  60  -4.423   4.861  -0.713
  439   HG21  ILE  60          HG21      ILE  60  -3.819   7.314   1.053
  440   HG22  ILE  60          HG22      ILE  60  -2.630   8.019  -0.036
  441   HG23  ILE  60          HG23      ILE  60  -2.637   6.284   0.250
  442   HD11  ILE  60          HD11      ILE  60  -6.717   6.573   0.226
  443   HD12  ILE  60          HD12      ILE  60  -5.464   5.874   1.254
  444   HD13  ILE  60          HD13      ILE  60  -6.588   4.822   0.397
  445    HA   PRO  61           HA       PRO  61  -3.999  12.199  -2.126
  446    HB2  PRO  61           HB2      PRO  61  -3.546  12.868   0.726
  447    HB3  PRO  61           HB1      PRO  61  -4.426  13.769  -0.515
  448    HG2  PRO  61           HG2      PRO  61  -5.731  12.484   1.418
  449    HG3  PRO  61           HG1      PRO  61  -6.356  12.510  -0.243
  450    HD2  PRO  61           HD2      PRO  61  -4.892  10.336   1.199
  451    HD3  PRO  61           HD1      PRO  61  -6.299  10.221   0.118
  452    H    ASP  62           HN       ASP  62  -2.050  12.927  -2.561
  453    HA   ASP  62           HA       ASP  62   0.248  11.431  -2.507
  454    HB2  ASP  62           HB2      ASP  62   0.108  14.453  -2.564
  455    HB3  ASP  62           HB1      ASP  62   1.498  13.493  -3.034
  456    H    ASP  63           HN       ASP  63  -0.478  14.132  -0.375
  457    HA   ASP  63           HA       ASP  63   1.973  14.002   1.071
  458    HB2  ASP  63           HB2      ASP  63  -0.628  15.333   1.841
  459    HB3  ASP  63           HB1      ASP  63   0.884  15.523   2.714
  460    H    VAL  64           HN       VAL  64  -0.978  12.346   1.351
  461    HA   VAL  64           HA       VAL  64  -0.504  11.512   4.096
  462    HB   VAL  64           HB       VAL  64  -2.675  10.659   2.148
  463   HG11  VAL  64          HG11      VAL  64  -2.486  10.301   5.139
  464   HG12  VAL  64          HG12      VAL  64  -2.334   9.030   3.927
  465   HG13  VAL  64          HG13      VAL  64  -3.872   9.868   4.138
  466   HG21  VAL  64          HG21      VAL  64  -2.754  12.726   4.348
  467   HG22  VAL  64          HG22      VAL  64  -4.136  12.193   3.393
  468   HG23  VAL  64          HG23      VAL  64  -2.801  13.042   2.613
  469    H    ALA  65           HN       ALA  65  -0.561  10.158   0.831
  470    HA   ALA  65           HA       ALA  65  -0.094   7.471   1.380
  471    HB1  ALA  65           HB1      ALA  65  -0.721   8.320  -0.839
  472    HB2  ALA  65           HB2      ALA  65   0.729   7.294  -0.887
  473    HB3  ALA  65           HB3      ALA  65   0.893   9.039  -0.981
  474    H    GLY  66           HN       GLY  66   2.213  10.103   0.928
  475    HA2  GLY  66           HA2      GLY  66   4.464   8.343   1.178
  476    HA3  GLY  66           HA1      GLY  66   4.515  10.099   1.172
  477    H    ARG  67           HN       ARG  67   2.309   9.334   3.476
  478    HA   ARG  67           HA       ARG  67   4.362   9.490   5.564
  479    HB2  ARG  67           HB2      ARG  67   1.507  10.461   5.588
  480    HB3  ARG  67           HB1      ARG  67   2.536  10.420   7.012
  481    HG2  ARG  67           HG2      ARG  67   3.039  12.016   4.510
  482    HG3  ARG  67           HG1      ARG  67   2.433  12.643   6.045
  483    HD2  ARG  67           HD2      ARG  67   5.112  11.339   5.599
  484    HD3  ARG  67           HD1      ARG  67   4.825  13.069   5.768
  485    HE   ARG  67           HE       ARG  67   3.814  12.290   8.023
  486   HH11  ARG  67          HH11      ARG  67   6.777  11.073   6.456
  487   HH12  ARG  67          HH12      ARG  67   7.538  10.587   7.881
  488   HH21  ARG  67          HH21      ARG  67   4.884  11.679  10.039
  489   HH22  ARG  67          HH22      ARG  67   6.452  11.017  10.008
  490    H    VAL  68           HN       VAL  68   2.281   7.264   4.230
  491    HA   VAL  68           HA       VAL  68   1.435   6.096   6.717
  492    HB   VAL  68           HB       VAL  68   0.515   4.199   5.339
  493   HG11  VAL  68          HG11      VAL  68  -0.279   6.971   4.504
  494   HG12  VAL  68          HG12      VAL  68  -0.853   6.089   5.919
  495   HG13  VAL  68          HG13      VAL  68  -1.258   5.520   4.298
  496   HG21  VAL  68          HG21      VAL  68   2.024   4.245   3.403
  497   HG22  VAL  68          HG22      VAL  68   1.453   5.866   2.997
  498   HG23  VAL  68          HG23      VAL  68   0.354   4.505   2.880
  499    H    ASP  69           HN       ASP  69   2.918   5.398   7.975
  500    HA   ASP  69           HA       ASP  69   5.491   4.533   7.166
  501    HB2  ASP  69           HB2      ASP  69   5.065   5.626   9.318
  502    HB3  ASP  69           HB1      ASP  69   4.181   4.206   9.859
  503    H    THR  70           HN       THR  70   2.616   2.681   7.936
  504    HA   THR  70           HA       THR  70   4.173   0.281   7.329
  505    HB   THR  70           HB       THR  70   2.654  -0.993   8.891
  506    HG1  THR  70           HG1      THR  70   1.970   1.171  10.412
  507   HG21  THR  70          HG21      THR  70   4.265   1.231  10.140
  508   HG22  THR  70          HG22      THR  70   4.897  -0.331   9.614
  509   HG23  THR  70          HG23      THR  70   3.759  -0.244  10.966
  510    HA   PRO  71           HA       PRO  71   1.304  -0.623   4.080
  511    HB2  PRO  71           HB2      PRO  71   1.095  -3.394   5.150
  512    HB3  PRO  71           HB1      PRO  71   1.549  -2.842   3.531
  513    HG2  PRO  71           HG2      PRO  71   3.396  -3.754   5.183
  514    HG3  PRO  71           HG1      PRO  71   3.722  -2.332   4.172
  515    HD2  PRO  71           HD2      PRO  71   3.023  -2.470   7.078
  516    HD3  PRO  71           HD1      PRO  71   4.222  -1.450   6.259
  517    H    ARG  72           HN       ARG  72   0.470  -1.676   7.311
  518    HA   ARG  72           HA       ARG  72  -2.259  -2.138   6.752
  519    HB2  ARG  72           HB2      ARG  72  -1.308  -3.177   8.703
  520    HB3  ARG  72           HB1      ARG  72  -0.845  -1.623   9.370
  521    HG2  ARG  72           HG2      ARG  72  -3.124  -1.047   9.806
  522    HG3  ARG  72           HG1      ARG  72  -3.704  -2.454   8.914
  523    HD2  ARG  72           HD2      ARG  72  -1.970  -2.628  11.369
  524    HD3  ARG  72           HD1      ARG  72  -3.734  -2.673  11.418
  525    HE   ARG  72           HE       ARG  72  -3.451  -4.611   9.801
  526   HH11  ARG  72          HH11      ARG  72  -1.011  -3.914  12.262
  527   HH12  ARG  72          HH12      ARG  72  -0.700  -5.533  12.644
  528   HH21  ARG  72          HH21      ARG  72  -2.982  -6.819  10.214
  529   HH22  ARG  72          HH22      ARG  72  -1.791  -7.273  11.364
  530    H    GLU  73           HN       GLU  73  -0.453   0.745   7.538
  531    HA   GLU  73           HA       GLU  73  -2.611   2.454   8.167
  532    HB2  GLU  73           HB2      GLU  73   0.027   3.043   6.818
  533    HB3  GLU  73           HB1      GLU  73  -1.070   4.266   7.431
  534    HG2  GLU  73           HG2      GLU  73   0.194   2.143   9.122
  535    HG3  GLU  73           HG1      GLU  73   0.869   3.752   8.879
  536    H    LEU  74           HN       LEU  74  -0.944   1.739   5.146
  537    HA   LEU  74           HA       LEU  74  -2.457   3.403   3.437
  538    HB2  LEU  74           HB2      LEU  74  -0.200   1.964   3.129
  539    HB3  LEU  74           HB1      LEU  74  -1.338   0.826   2.440
  540    HG   LEU  74           HG       LEU  74  -0.807   3.619   1.430
  541   HD11  LEU  74          HD11      LEU  74  -0.021   0.941   0.319
  542   HD12  LEU  74          HD12      LEU  74   1.049   2.162   1.014
  543   HD13  LEU  74          HD13      LEU  74   0.198   2.492  -0.494
  544   HD21  LEU  74          HD21      LEU  74  -2.174   2.993  -0.511
  545   HD22  LEU  74          HD22      LEU  74  -3.125   2.947   0.975
  546   HD23  LEU  74          HD23      LEU  74  -2.547   1.446   0.249
  547    H    LEU  75           HN       LEU  75  -2.739  -0.008   4.348
  548    HA   LEU  75           HA       LEU  75  -4.979  -0.580   2.752
  549    HB2  LEU  75           HB2      LEU  75  -3.588  -2.361   3.589
  550    HB3  LEU  75           HB1      LEU  75  -3.954  -1.927   5.245
  551    HG   LEU  75           HG       LEU  75  -6.273  -2.633   4.947
  552   HD11  LEU  75          HD11      LEU  75  -6.520  -2.110   2.569
  553   HD12  LEU  75          HD12      LEU  75  -7.044  -3.734   2.947
  554   HD13  LEU  75          HD13      LEU  75  -5.480  -3.480   2.157
  555   HD21  LEU  75          HD21      LEU  75  -5.872  -5.041   4.732
  556   HD22  LEU  75          HD22      LEU  75  -4.637  -4.266   5.722
  557   HD23  LEU  75          HD23      LEU  75  -4.281  -4.712   4.053
  558    H    ASP  76           HN       ASP  76  -4.690   0.633   6.052
  559    HA   ASP  76           HA       ASP  76  -7.412   0.349   6.750
  560    HB2  ASP  76           HB2      ASP  76  -5.659   0.694   8.438
  561    HB3  ASP  76           HB1      ASP  76  -5.369   2.312   7.813
  562    H    LEU  77           HN       LEU  77  -5.549   2.937   5.326
  563    HA   LEU  77           HA       LEU  77  -7.546   4.869   5.148
  564    HB2  LEU  77           HB2      LEU  77  -5.277   4.279   3.259
  565    HB3  LEU  77           HB1      LEU  77  -6.279   5.707   3.173
  566    HG   LEU  77           HG       LEU  77  -4.350   4.993   5.396
  567   HD11  LEU  77          HD11      LEU  77  -3.298   5.728   3.363
  568   HD12  LEU  77          HD12      LEU  77  -3.164   6.953   4.624
  569   HD13  LEU  77          HD13      LEU  77  -4.333   7.154   3.317
  570   HD21  LEU  77          HD21      LEU  77  -6.135   7.416   5.089
  571   HD22  LEU  77          HD22      LEU  77  -4.922   7.168   6.345
  572   HD23  LEU  77          HD23      LEU  77  -6.353   6.136   6.281
  573    H    ILE  78           HN       ILE  78  -6.668   2.279   2.908
  574    HA   ILE  78           HA       ILE  78  -8.794   2.924   1.139
  575    HB   ILE  78           HB       ILE  78  -7.049   0.461   1.243
  576   HG12  ILE  78          HG12      ILE  78  -6.979   2.984  -0.413
  577   HG13  ILE  78          HG11      ILE  78  -5.752   2.374   0.684
  578   HG21  ILE  78          HG21      ILE  78  -9.168  -0.098   0.150
  579   HG22  ILE  78          HG22      ILE  78  -7.858  -0.049  -1.033
  580   HG23  ILE  78          HG23      ILE  78  -8.995   1.294  -0.921
  581   HD11  ILE  78          HD11      ILE  78  -5.073   2.082  -1.637
  582   HD12  ILE  78          HD12      ILE  78  -6.557   1.210  -1.953
  583   HD13  ILE  78          HD13      ILE  78  -5.349   0.491  -0.880
  584    H    ASN  79           HN       ASN  79  -8.522   0.833   3.875
  585    HA   ASN  79           HA       ASN  79 -10.820  -0.731   3.558
  586    HB2  ASN  79           HB2      ASN  79  -9.279   0.181   5.924
  587    HB3  ASN  79           HB1      ASN  79 -10.924  -0.343   6.237
  588   HD21  ASN  79          HD21      ASN  79  -8.871  -1.727   3.733
  589   HD22  ASN  79          HD22      ASN  79  -8.748  -3.281   4.483
  590    H    GLY  80           HN       GLY  80 -10.515   2.447   5.051
  591    HA2  GLY  80           HA2      GLY  80 -13.308   2.780   5.463
  592    HA3  GLY  80           HA1      GLY  80 -12.097   4.057   5.484
  593    H    ALA  81           HN       ALA  81 -11.182   3.367   2.781
  594    HA   ALA  81           HA       ALA  81 -12.868   5.195   1.381
  595    HB1  ALA  81           HB1      ALA  81 -10.444   5.184   1.081
  596    HB2  ALA  81           HB2      ALA  81 -11.289   4.946  -0.449
  597    HB3  ALA  81           HB3      ALA  81 -10.540   3.573   0.368
  598    H    LEU  82           HN       LEU  82 -12.140   1.742   1.052
  599    HA   LEU  82           HA       LEU  82 -13.768   1.363  -1.224
  600    HB2  LEU  82           HB2      LEU  82 -12.576  -0.511   0.772
  601    HB3  LEU  82           HB1      LEU  82 -13.654  -1.094  -0.471
  602    HG   LEU  82           HG       LEU  82 -11.013   0.321  -0.986
  603   HD11  LEU  82          HD11      LEU  82 -10.726  -1.883   0.008
  604   HD12  LEU  82          HD12      LEU  82 -10.244  -1.865  -1.689
  605   HD13  LEU  82          HD13      LEU  82 -11.788  -2.573  -1.218
  606   HD21  LEU  82          HD21      LEU  82 -12.931  -1.072  -2.859
  607   HD22  LEU  82          HD22      LEU  82 -11.371  -0.371  -3.292
  608   HD23  LEU  82          HD23      LEU  82 -12.686   0.672  -2.753
  609    H    ALA  83           HN       ALA  83 -14.436   1.292   2.178
  610    HA   ALA  83           HA       ALA  83 -16.963   0.015   1.944
  611    HB1  ALA  83           HB1      ALA  83 -15.738   0.085   4.069
  612    HB2  ALA  83           HB2      ALA  83 -17.347   0.789   4.237
  613    HB3  ALA  83           HB3      ALA  83 -15.933   1.837   4.127
  614    H    GLU  84           HN       GLU  84 -15.998   3.411   2.364
  615    HA   GLU  84           HA       GLU  84 -18.713   4.270   1.713
  616    HB2  GLU  84           HB2      GLU  84 -16.318   5.784   2.762
  617    HB3  GLU  84           HB1      GLU  84 -17.889   6.500   2.444
  618    HG2  GLU  84           HG2      GLU  84 -17.288   4.344   4.454
  619    HG3  GLU  84           HG1      GLU  84 -17.611   6.042   4.803
  620    H    ALA  85           HN       ALA  85 -17.024   3.157  -0.316
  621    HA   ALA  85           HA       ALA  85 -15.651   5.001  -1.889
  622    HB1  ALA  85           HB1      ALA  85 -15.473   2.575  -2.162
  623    HB2  ALA  85           HB2      ALA  85 -15.830   3.385  -3.687
  624    HB3  ALA  85           HB3      ALA  85 -17.107   2.534  -2.819
  625    H    ALA  86           HN       ALA  86 -16.251   6.590  -3.111
  626    HA   ALA  86           HA       ALA  86 -18.963   6.629  -4.179
  627    HB1  ALA  86           HB1      ALA  86 -17.445   8.976  -3.005
  628    HB2  ALA  86           HB2      ALA  86 -18.854   8.193  -2.288
  629    HB3  ALA  86           HB3      ALA  86 -19.012   9.070  -3.812
  630    H28  SXM  87          H28A      SXM  87   8.143  12.956   0.391
  631   H28A  SXM  87          H28B      SXM  87   7.912  12.589  -1.317
  632    H30  SXM  87          H30A      SXM  87   5.808  12.694  -2.325
  633   H30A  SXM  87          H30B      SXM  87   4.316  12.602  -1.386
  634   H30B  SXM  87          H30C      SXM  87   5.418  11.229  -1.426
  635    H31  SXM  87          H31C      SXM  87   5.943  12.700   1.924
  636   H31A  SXM  87          H31A      SXM  87   5.443  11.245   1.055
  637   H31B  SXM  87          H31B      SXM  87   4.387  12.658   1.094
  638    H32  SXM  87          H32A      SXM  87   4.966  14.733  -0.020
  639   HO33  SXM  87          H33A      SXM  87   7.284  14.917  -1.621
  640   HN36  SXM  87          H36A      SXM  87   6.803  16.720  -0.261
  641    H37  SXM  87          H37B      SXM  87   9.002  16.789   1.489
  642   H37A  SXM  87          H37A      SXM  87   7.564  17.254   2.404
  643    H38  SXM  87          H38A      SXM  87   7.103  19.037   0.769
  644   H38A  SXM  87          H38B      SXM  87   8.611  19.236   1.632
  645   HN41  SXM  87          H41A      SXM  87   8.046  20.543  -0.652
  646    H42  SXM  87          H42A      SXM  87  10.202  20.735  -2.186
  647   H42A  SXM  87          H42B      SXM  87   9.410  19.343  -2.917
  648    H43  SXM  87          H43A      SXM  87   8.693  21.313  -4.117
  649   H43A  SXM  87          H43B      SXM  87   8.231  22.082  -2.592
  650    H2   SXM  87           H2A      SXM  87   4.170  20.492  -3.453
  651    H2A  SXM  87           H2B      SXM  87   3.936  21.527  -4.852